data_6irr_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 6irr _Structure_validation_residue.Date_analyzed 2019-09-20 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 ' 10' ' ' VAL . . . . . . . . . . . . . 3.3 m . . . . . 0 N--CA 1.471 0.621 0 CA-C-O 120.469 0.176 . . . . 0.0 111.237 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 71.0 m -83.22 -23.44 32.79 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.79 179.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -95.81 -13.96 23.64 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.634 179.6 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -91.41 -22.18 20.59 Favored 'General case' 0 N--CA 1.47 0.549 0 O-C-N 123.478 0.486 . . . . 0.0 111.664 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 1.8 m -71.83 -37.41 61.75 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 N-CA-C 112.54 0.57 . . . . 0.0 112.54 -179.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -59.75 -43.27 98.0 Favored Glycine 0 C--N 1.343 0.965 0 O-C-N 123.427 0.454 . . . . 0.0 113.447 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -71.87 -35.53 69.83 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 122.606 0.362 . . . . 0.0 111.095 179.309 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.65 ' O ' HG12 ' A' ' 21' ' ' ILE . 66.1 mttm -70.26 -36.96 74.79 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.928 179.157 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 90.8 m -69.64 -36.67 76.32 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.743 178.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -69.36 -32.37 71.4 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.644 178.503 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.435 ' O ' HG11 ' A' ' 23' ' ' VAL . . . -71.7 -38.16 70.58 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.315 178.814 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.65 HG12 ' O ' ' A' ' 17' ' ' LYS . 34.4 mm -73.12 -27.6 24.65 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 CA-C-N 116.143 -0.48 . . . . 0.0 109.904 178.59 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.04 -42.25 52.22 Favored Glycine 0 C--N 1.347 1.173 0 O-C-N 123.594 0.559 . . . . 0.0 112.298 178.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.435 HG11 ' O ' ' A' ' 20' ' ' ALA . 7.8 p -71.14 -34.91 56.47 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.873 0 C-N-CA 122.4 0.28 . . . . 0.0 110.391 178.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -72.33 -33.43 67.33 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.918 178.656 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.456 ' HB2' ' O ' ' A' ' 21' ' ' ILE . 2.5 tt -69.68 -39.19 77.12 Favored 'General case' 0 C--N 1.348 0.51 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.053 179.078 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 13.3 mt -69.66 -40.72 76.28 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.122 179.074 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 22.1 m80 -70.63 -31.44 68.39 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.997 178.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.47 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 5.2 tp -74.33 -31.42 62.44 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.935 179.092 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.427 ' HG3' ' O ' ' A' ' 25' ' ' LEU . 44.1 mt-10 -72.77 -40.07 66.27 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.893 179.01 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -69.52 -38.21 77.45 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.513 178.659 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -74.34 -25.63 59.65 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.103 178.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.47 ' HB2' ' O ' ' A' ' 28' ' ' LEU . 3.5 tt -73.53 -40.83 63.71 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.636 179.16 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.414 ' O ' ' HD1' ' A' ' 37' ' ' TYR . 4.7 tp -70.96 -39.14 72.73 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.55 178.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -72.09 -29.43 66.74 Favored Glycine 0 C--N 1.342 0.888 0 CA-C-N 115.697 -0.683 . . . . 0.0 113.078 179.04 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -81.31 -30.79 33.8 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 112.112 0.412 . . . . 0.0 112.112 179.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 43.2 mtt -80.91 -34.06 33.71 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 112.258 0.466 . . . . 0.0 112.258 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.414 ' HD1' ' O ' ' A' ' 33' ' ' LEU . 23.1 m-85 -81.16 -39.27 25.79 Favored 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 111.933 0.345 . . . . 0.0 111.933 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 54.4 m -86.74 -22.95 25.67 Favored 'General case' 0 N--CA 1.47 0.53 0 O-C-N 123.4 0.438 . . . . 0.0 111.947 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 3.9 t60 61.78 110.46 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 123.968 0.907 . . . . 0.0 111.512 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -141.69 163.73 32.12 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.887 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -104.07 -42.66 5.48 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.36 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.91 -37.41 84.31 Favored 'General case' 0 N--CA 1.473 0.716 0 N-CA-C 112.792 0.664 . . . . 0.0 112.792 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.471 ' O ' ' HB2' ' A' ' 47' ' ' LEU . 10.6 mt -71.47 -28.74 64.15 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 116.106 -0.497 . . . . 0.0 112.283 -179.42 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -75.65 -34.49 60.52 Favored 'General case' 0 N--CA 1.472 0.664 0 O-C-N 123.324 0.39 . . . . 0.0 111.422 179.412 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 54.9 mt-30 -72.13 -42.32 66.16 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.607 179.04 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 52.0 m -69.15 -33.92 74.19 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.053 178.448 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.471 ' HB2' ' O ' ' A' ' 43' ' ' LEU . 4.3 tp -70.49 -35.62 73.36 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.429 179.232 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 54.1 mt-30 -72.49 -39.86 67.35 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.5 179.596 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -71.58 -38.59 61.56 Favored Glycine 0 C--N 1.344 0.981 0 CA-C-N 116.046 -0.524 . . . . 0.0 112.553 179.39 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.567 ' O ' HG22 ' A' ' 54' ' ' VAL . 42.1 mt-10 -71.52 -35.91 70.86 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 122.758 0.423 . . . . 0.0 111.155 179.398 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.6 tt -71.36 -35.09 71.0 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.887 179.316 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 -73.6 -31.96 63.84 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.243 179.115 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 19.4 p -75.11 -35.37 61.73 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.633 179.149 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.567 HG22 ' O ' ' A' ' 50' ' ' GLU . 95.1 t -75.26 -33.83 29.3 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.246 178.875 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 14.0 ttpt -72.39 -37.1 68.8 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.07 179.185 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -72.91 -36.79 67.35 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.136 179.073 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 18.0 p -73.24 -31.56 64.19 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.168 179.061 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.7 tp -74.01 -37.28 64.43 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.574 179.202 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.511 ' O ' HG13 ' A' ' 62' ' ' ILE . 47.1 mt-30 -69.42 -37.88 77.62 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.739 178.646 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.63 -34.48 74.11 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.745 178.508 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' MET . . . . . 0.476 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 68.7 mmm -66.09 -43.96 85.76 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.35 178.845 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.511 HG13 ' O ' ' A' ' 59' ' ' GLN . 1.4 pt -75.11 -23.75 17.4 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 O-C-N 123.576 0.548 . . . . 0.0 111.508 179.416 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.434 HD22 ' O ' ' A' ' 63' ' ' LEU . 2.7 tt -84.58 -19.66 32.72 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.867 178.807 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -87.96 -38.92 15.14 Favored 'General case' 0 N--CA 1.468 0.459 0 O-C-N 123.435 0.459 . . . . 0.0 112.167 179.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.476 ' HG ' ' O ' ' A' ' 61' ' ' MET . 3.1 pp . . . . . 0 N--CA 1.475 0.787 0 N-CA-C 112.108 0.41 . . . . 0.0 112.108 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 . . . . . 0 N--CA 1.468 0.438 0 CA-C-O 120.544 0.211 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -76.83 -29.54 55.96 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.612 179.617 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 16.0 mt -84.36 -26.51 28.37 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.772 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 63.5 mttm -69.33 -41.49 76.61 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 122.585 0.354 . . . . 0.0 111.954 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -64.74 -39.94 94.47 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 122.838 0.455 . . . . 0.0 111.728 179.61 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 47.5 tttt -74.58 -31.01 61.91 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.321 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -71.54 -37.68 71.1 Favored 'General case' 0 N--CA 1.469 0.516 0 O-C-N 123.446 0.466 . . . . 0.0 111.575 179.356 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -75.9 -35.23 59.88 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.513 179.355 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 52.4 m -70.24 -40.68 74.32 Favored 'General case' 0 N--CA 1.47 0.545 0 O-C-N 123.365 0.415 . . . . 0.0 111.418 179.266 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 22.2 mt -73.28 -36.11 66.26 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.113 179.293 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . 0.408 ' O ' ' HG3' ' A' ' 114' ' ' GLN . . . -68.37 -35.19 77.36 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.131 179.149 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . 0.486 ' O ' ' HD2' ' A' ' 115' ' ' TYR . 95.0 mttt -73.92 -34.24 64.28 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.742 178.791 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -71.26 -31.61 67.72 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.371 178.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 24.3 mt -78.23 -33.02 17.37 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 178.45 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . 0.408 ' HG3' ' O ' ' A' ' 110' ' ' ALA . 53.0 mt-30 -66.81 -39.67 87.8 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.601 178.398 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . 0.486 ' HD2' ' O ' ' A' ' 111' ' ' LYS . 17.8 m-85 -73.92 -35.8 64.64 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.195 178.157 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 5.1 tp -68.49 -36.17 78.54 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.945 178.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -72.85 -38.5 67.04 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.041 179.25 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -69.14 -32.07 71.18 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.424 178.299 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.56 ' O ' HG21 ' A' ' 123' ' ' VAL . 16.2 mt -71.59 -42.85 67.22 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.361 179.586 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 2.1 pp -70.2 -33.42 54.58 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 O-C-N 123.336 0.398 . . . . 0.0 111.201 179.073 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -73.03 -31.23 64.32 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.514 179.012 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -74.33 -37.98 63.4 Favored 'General case' 0 N--CA 1.469 0.512 0 O-C-N 123.381 0.425 . . . . 0.0 111.667 179.477 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . 0.56 HG21 ' O ' ' A' ' 119' ' ' LEU . 2.5 m -73.62 -34.25 41.13 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 O-C-N 123.244 0.34 . . . . 0.0 111.108 178.541 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -71.07 -38.51 72.45 Favored 'General case' 0 N--CA 1.472 0.634 0 O-C-N 123.543 0.527 . . . . 0.0 111.403 178.649 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -74.17 -34.81 63.93 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-N 116.05 -0.523 . . . . 0.0 112.138 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.55 0 CA-C-N 116.12 -0.491 . . . . 0.0 112.133 -179.791 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 10.9 p . . . . . 0 CA--C 1.545 0.778 0 CA-C-O 120.492 0.187 . . . . 0.0 110.845 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 58.2 m -88.09 -26.77 22.35 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.784 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -93.9 -14.54 25.93 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.946 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -90.57 -22.28 21.34 Favored 'General case' 0 N--CA 1.469 0.517 0 O-C-N 123.365 0.416 . . . . 0.0 111.774 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.3 m -74.32 -38.73 47.92 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.775 0 N-CA-C 112.413 0.523 . . . . 0.0 112.413 -179.709 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -66.88 -37.26 92.1 Favored Glycine 0 C--N 1.341 0.857 0 O-C-N 123.441 0.463 . . . . 0.0 113.636 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -76.68 -31.72 57.45 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 122.564 0.346 . . . . 0.0 111.525 179.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 64.6 mttm -76.17 -33.95 59.35 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.933 179.189 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.541 ' O ' HG23 ' A' ' 21' ' ' ILE . 93.6 m -73.57 -39.47 64.65 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.73 178.719 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.531 ' O ' HG22 ' A' ' 23' ' ' VAL . 42.3 mt-10 -70.38 -36.32 74.05 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.426 179.06 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.97 -37.49 67.03 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.602 179.685 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.541 HG23 ' O ' ' A' ' 18' ' ' CYS . 3.0 tp -73.67 -27.61 23.34 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.776 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.421 178.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -73.04 -43.04 41.98 Favored Glycine 0 C--N 1.348 1.226 0 CA-C-N 115.837 -0.62 . . . . 0.0 112.487 178.661 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.531 HG22 ' O ' ' A' ' 19' ' ' GLU . 3.0 m -71.01 -36.52 63.84 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 CA-C-O 120.704 0.288 . . . . 0.0 111.186 178.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -69.34 -36.02 76.5 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.734 178.662 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.526 ' HB2' ' O ' ' A' ' 21' ' ' ILE . 0.2 OUTLIER -69.86 -35.38 74.65 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.86 179.014 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.63 -40.82 80.13 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.935 179.152 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 30.2 m80 -69.9 -32.67 71.12 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 116.009 -0.542 . . . . 0.0 111.131 178.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.485 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 21.0 mt -74.73 -29.79 61.29 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.187 178.794 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.421 ' HG3' ' O ' ' A' ' 25' ' ' LEU . 40.2 mt-10 -72.39 -41.48 66.26 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.865 179.098 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -69.63 -37.61 76.87 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.731 178.683 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -74.14 -25.0 59.5 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.059 178.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.485 ' HB2' ' O ' ' A' ' 28' ' ' LEU . 2.8 tt -75.28 -39.52 59.62 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.833 179.206 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.5 mp -71.91 -37.36 70.08 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.725 178.685 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -71.81 -32.58 63.76 Favored Glycine 0 C--N 1.343 0.959 0 CA-C-N 115.733 -0.667 . . . . 0.0 112.34 178.594 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -81.16 -24.72 37.36 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 122.787 0.435 . . . . 0.0 111.437 178.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 13.0 mtt -80.34 -32.48 37.84 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.607 179.47 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -78.18 -35.57 48.51 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.487 179.646 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 55.6 p -86.58 -27.85 23.65 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.763 179.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 3.8 t60 63.15 108.24 0.03 OUTLIER 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 124.067 0.947 . . . . 0.0 111.712 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -143.14 166.48 24.57 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.433 179.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -98.01 -40.22 8.56 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.571 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.02 -39.94 87.16 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 112.907 0.706 . . . . 0.0 112.907 -179.653 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 21.1 mt -70.15 -35.75 74.25 Favored 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 112.373 0.508 . . . . 0.0 112.373 -179.314 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -68.86 -34.22 75.09 Favored 'General case' 0 N--CA 1.471 0.62 0 O-C-N 123.245 0.341 . . . . 0.0 111.538 179.633 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -72.64 -40.23 66.55 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.635 178.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 52.1 m -69.14 -37.84 78.5 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.295 178.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 20.0 mt -70.81 -33.75 71.03 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.835 179.384 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 50.5 mt-30 -72.7 -39.21 67.17 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.501 179.462 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -71.62 -37.04 62.01 Favored Glycine 0 C--N 1.344 1.004 0 CA-C-N 116.109 -0.496 . . . . 0.0 112.633 179.107 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -72.37 -35.52 68.5 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 122.859 0.463 . . . . 0.0 111.164 179.236 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.7 tt -71.81 -35.21 69.89 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.892 179.154 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -74.66 -31.44 61.94 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.064 179.068 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 17.6 p -74.49 -36.36 63.25 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.556 179.173 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 10.6 m -74.65 -34.01 33.44 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 O-C-N 123.243 0.34 . . . . 0.0 110.955 178.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 55.0 tttt -71.07 -37.15 72.47 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.618 178.613 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -72.89 -33.57 66.11 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.097 178.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 12.3 p -73.48 -33.06 64.64 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.265 178.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.9 tt -72.5 -39.36 67.69 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.551 179.178 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.428 ' O ' HG13 ' A' ' 62' ' ' ILE . 54.3 mt-30 -69.4 -36.68 77.0 Favored 'General case' 0 N--CA 1.472 0.675 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.662 178.618 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.429 ' O ' ' HB2' ' A' ' 64' ' ' GLN . . . -70.12 -31.74 69.43 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.021 178.683 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 55.0 mmm -70.72 -43.1 69.65 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.514 179.059 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.428 HG13 ' O ' ' A' ' 59' ' ' GLN . 1.4 pt -75.67 -24.34 16.94 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 O-C-N 123.385 0.428 . . . . 0.0 111.851 179.222 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.6 tp -85.4 -24.74 27.38 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.292 179.404 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.429 ' HB2' ' O ' ' A' ' 60' ' ' ALA . 11.6 tt0 -89.25 -31.91 17.65 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.451 179.684 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 12.4 mt . . . . . 0 N--CA 1.469 0.481 0 O-C-N 123.322 0.389 . . . . 0.0 111.323 179.914 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 . . . . . 0 N--CA 1.471 0.589 0 N-CA-C 111.997 0.369 . . . . 0.0 111.997 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -76.92 -29.87 55.86 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 112.314 0.487 . . . . 0.0 112.314 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 11.9 mt -85.3 -26.93 26.3 Favored 'General case' 0 N--CA 1.47 0.572 0 O-C-N 123.347 0.404 . . . . 0.0 111.956 -179.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 63.9 mttm -74.81 -35.81 62.46 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 111.974 0.361 . . . . 0.0 111.974 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -64.51 -41.37 96.45 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 122.731 0.412 . . . . 0.0 111.645 179.675 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -78.77 -33.28 46.52 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.498 179.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -71.64 -38.05 70.79 Favored 'General case' 0 N--CA 1.47 0.555 0 O-C-N 123.466 0.479 . . . . 0.0 111.493 179.206 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -75.95 -38.48 57.52 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.738 179.507 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 66.4 m -70.37 -37.58 74.6 Favored 'General case' 0 N--CA 1.471 0.619 0 O-C-N 123.214 0.321 . . . . 0.0 111.189 179.368 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 3.6 tp -73.22 -37.03 66.55 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.82 179.372 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -68.35 -34.89 76.89 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.264 179.184 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -74.35 -33.37 63.1 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.954 178.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.426 ' O ' ' HB2' ' A' ' 116' ' ' LEU . 42.4 mt-10 -73.5 -31.25 63.63 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.623 178.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 26.7 mt -79.45 -33.09 15.08 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 178.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 52.2 mt-30 -69.06 -38.3 79.01 Favored 'General case' 0 N--CA 1.472 0.636 0 O-C-N 123.411 0.445 . . . . 0.0 110.319 178.262 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 13.5 t80 -73.8 -35.83 64.94 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.891 178.434 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.426 ' HB2' ' O ' ' A' ' 112' ' ' GLU . 7.3 tp -67.98 -38.18 82.4 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.798 178.739 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 92.4 mttt -70.33 -38.43 74.89 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.099 179.245 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -68.97 -31.59 70.56 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.226 178.442 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.491 ' O ' HG23 ' A' ' 123' ' ' VAL . 16.5 mt -71.46 -41.57 69.24 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.581 179.296 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 12.8 mt -70.13 -34.6 59.89 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 O-C-N 123.349 0.406 . . . . 0.0 110.371 179.161 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -73.0 -30.87 64.11 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.622 179.213 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -75.95 -35.87 59.52 Favored 'General case' 0 N--CA 1.47 0.537 0 O-C-N 123.399 0.437 . . . . 0.0 111.727 179.575 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 119' ' ' LEU . 3.6 m -75.82 -33.57 26.08 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 O-C-N 123.216 0.322 . . . . 0.0 110.896 178.672 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 37.9 ttt180 -71.06 -39.84 71.99 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.059 178.678 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -74.2 -35.35 63.94 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.992 179.666 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.551 0 CA-C-N 116.04 -0.527 . . . . 0.0 112.182 -179.859 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 3.2 m . . . . . 0 N--CA 1.472 0.655 0 CA-C-O 120.581 0.229 . . . . 0.0 111.246 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 71.8 m -83.8 -18.03 39.06 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.95 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -95.52 -19.72 19.6 Favored 'General case' 0 N--CA 1.466 0.357 0 O-C-N 123.328 0.392 . . . . 0.0 111.938 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -89.37 -22.07 22.78 Favored 'General case' 0 N--CA 1.469 0.512 0 O-C-N 123.292 0.37 . . . . 0.0 111.859 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.7 m -71.3 -39.36 72.38 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 N-CA-C 112.584 0.587 . . . . 0.0 112.584 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -67.34 -40.47 91.8 Favored Glycine 0 C--N 1.341 0.845 0 CA-C-N 116.133 -0.485 . . . . 0.0 113.703 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -73.29 -38.83 65.75 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 122.54 0.336 . . . . 0.0 111.194 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.631 ' O ' HG12 ' A' ' 21' ' ' ILE . 96.6 mttt -70.83 -34.56 71.82 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.131 179.371 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 48.9 t -71.43 -37.14 71.48 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.548 178.713 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.554 ' O ' HG22 ' A' ' 23' ' ' VAL . 41.0 mt-10 -69.89 -31.32 69.08 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.889 178.631 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.32 -40.04 67.77 Favored 'General case' 0 C--N 1.348 0.505 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.483 178.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.631 HG12 ' O ' ' A' ' 17' ' ' LYS . 40.8 mm -72.4 -27.44 26.24 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.901 178.51 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -71.93 -44.01 47.78 Favored Glycine 0 C--N 1.348 1.227 0 CA-C-N 116.019 -0.537 . . . . 0.0 112.563 178.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.554 HG22 ' O ' ' A' ' 19' ' ' GLU . 3.1 m -71.09 -35.09 57.38 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 CA-C-O 120.614 0.245 . . . . 0.0 111.231 179.144 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.469 ' O ' ' HB2' ' A' ' 28' ' ' LEU . 96.9 mttt -71.49 -33.59 69.4 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.921 178.855 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.462 ' HB2' ' O ' ' A' ' 21' ' ' ILE . 2.7 tt -70.02 -40.96 74.89 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.999 179.249 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 13.8 mt -67.54 -42.24 83.03 Favored 'General case' 0 N--CA 1.475 0.819 0 O-C-N 123.317 0.386 . . . . 0.0 111.228 179.362 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 20.5 m-70 -69.73 -31.39 69.36 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.072 178.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.469 ' HB2' ' O ' ' A' ' 24' ' ' LYS . 2.2 tp -74.44 -29.37 61.46 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.114 179.055 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.443 ' HG3' ' O ' ' A' ' 25' ' ' LEU . 43.8 mt-10 -73.74 -41.47 62.47 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.879 178.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -69.67 -36.85 76.38 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.922 178.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 18.7 mm-40 -74.18 -28.82 61.47 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.02 178.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.74 -38.46 67.41 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.108 179.165 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.46 ' O ' ' HD1' ' A' ' 37' ' ' TYR . 11.2 mt -71.0 -40.37 71.86 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.676 178.769 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -72.0 -27.2 70.86 Favored Glycine 0 C--N 1.343 0.96 0 CA-C-N 115.741 -0.663 . . . . 0.0 112.635 178.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -81.18 -30.09 34.46 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 122.721 0.408 . . . . 0.0 111.753 179.234 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 47.9 mtt -78.83 -36.27 42.81 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 116.251 -0.432 . . . . 0.0 112.164 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.46 ' HD1' ' O ' ' A' ' 33' ' ' LEU . 34.3 m-85 -81.1 -40.17 24.5 Favored 'General case' 0 N--CA 1.471 0.581 0 N-CA-C 112.149 0.426 . . . . 0.0 112.149 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 53.5 m -86.77 -20.74 27.17 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.979 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 69.9 m-70 62.52 113.05 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 123.847 0.859 . . . . 0.0 111.956 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -141.02 165.9 26.28 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.787 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -109.59 -39.72 5.07 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.465 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.85 -30.07 70.15 Favored 'General case' 0 N--CA 1.475 0.786 0 N-CA-C 112.898 0.703 . . . . 0.0 112.898 -179.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.1 mt -71.17 -28.72 64.45 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 112.411 0.523 . . . . 0.0 112.411 -179.56 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 32.9 m-85 -73.94 -36.02 64.61 Favored 'General case' 0 N--CA 1.472 0.642 0 O-C-N 123.283 0.364 . . . . 0.0 111.361 179.175 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 12.3 mm100 -71.64 -41.63 68.56 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.648 179.09 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 52.6 m -69.12 -32.35 71.67 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.875 178.461 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 5.8 tp -70.52 -37.1 74.06 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.191 179.117 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 12.2 mm100 -71.71 -39.95 69.83 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.565 179.708 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -71.67 -39.12 60.84 Favored Glycine 0 C--N 1.342 0.87 0 O-C-N 123.542 0.526 . . . . 0.0 113.011 179.468 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -71.77 -35.68 70.14 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 122.741 0.417 . . . . 0.0 111.478 179.601 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.7 tp -72.44 -35.79 68.39 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.07 179.559 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -74.61 -30.66 61.75 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.253 179.077 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 16.5 p -75.14 -36.78 61.55 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.584 179.097 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 13.3 m -74.74 -33.94 32.59 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 O-C-N 123.368 0.417 . . . . 0.0 110.878 178.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 54.6 tttt -71.37 -37.75 71.6 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.765 178.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -72.95 -33.81 66.12 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.038 178.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 12.1 p -75.08 -30.82 61.06 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.083 178.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.9 tt -73.16 -40.46 64.83 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.514 179.225 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -69.72 -38.98 77.11 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.913 178.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.453 ' O ' ' HB2' ' A' ' 64' ' ' GLN . . . -69.91 -30.75 68.24 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.161 178.852 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 3.1 mmm -71.19 -43.19 67.92 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.343 179.199 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 2.1 pp -75.26 -24.55 17.58 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.641 179.582 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 2.9 tt -85.24 -24.44 27.79 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.159 179.051 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.453 ' HB2' ' O ' ' A' ' 60' ' ' ALA . 5.2 tt0 -89.01 -27.63 20.73 Favored 'General case' 0 CA--C 1.538 0.493 0 O-C-N 123.388 0.43 . . . . 0.0 111.609 179.792 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 21.0 mt . . . . . 0 N--CA 1.473 0.703 0 N-CA-C 112.334 0.494 . . . . 0.0 112.334 -179.993 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 . . . . . 0 N--CA 1.469 0.512 0 N-CA-C 111.85 0.315 . . . . 0.0 111.85 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -76.98 -31.45 56.53 Favored 'General case' 0 N--CA 1.471 0.61 0 O-C-N 123.424 0.453 . . . . 0.0 112.192 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 11.1 mt -86.3 -28.34 23.79 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.732 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -74.46 -38.58 62.9 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 122.687 0.395 . . . . 0.0 111.807 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -64.7 -39.69 94.09 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 122.792 0.437 . . . . 0.0 111.683 179.561 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.421 ' O ' ' HB2' ' A' ' 109' ' ' LEU . 97.1 mttt -78.07 -33.11 51.01 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.516 179.851 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -71.72 -40.15 69.63 Favored 'General case' 0 N--CA 1.469 0.512 0 O-C-N 123.318 0.386 . . . . 0.0 111.514 179.182 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -75.9 -34.8 59.96 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.793 179.427 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' SER . . . . . 0.438 ' O ' ' HG3' ' A' ' 112' ' ' GLU . 15.8 t -72.41 -36.79 68.72 Favored 'General case' 0 N--CA 1.471 0.606 0 O-C-N 123.349 0.405 . . . . 0.0 111.122 179.259 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.421 ' HB2' ' O ' ' A' ' 105' ' ' LYS . 1.1 tt -73.74 -37.61 65.02 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.79 179.383 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . 0.451 ' O ' ' HG3' ' A' ' 114' ' ' GLN . . . -69.11 -34.01 74.39 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.788 178.572 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . 0.462 ' O ' ' HD2' ' A' ' 115' ' ' TYR . 23.7 tttm -73.03 -33.61 65.83 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.418 178.754 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.438 ' HG3' ' O ' ' A' ' 108' ' ' SER . 40.7 mt-10 -68.01 -36.9 80.75 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.988 178.442 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 27.2 mt -73.41 -33.2 39.56 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.954 178.244 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . 0.451 ' HG3' ' O ' ' A' ' 110' ' ' ALA . 45.6 mt-30 -65.22 -37.41 87.19 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.653 178.355 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . 0.462 ' HD2' ' O ' ' A' ' 111' ' ' LYS . 14.7 m-85 -73.56 -35.82 65.54 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.307 177.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.626 ' O ' HG12 ' A' ' 120' ' ' ILE . 10.0 tp -68.09 -41.02 82.48 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 115.419 -0.809 . . . . 0.0 110.724 178.834 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -69.54 -36.24 76.19 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.934 179.171 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -68.8 -33.64 74.2 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.941 178.665 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.51 ' O ' HG22 ' A' ' 123' ' ' VAL . 12.2 mt -71.16 -38.68 72.19 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.393 179.411 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . 0.626 HG12 ' O ' ' A' ' 116' ' ' LEU . 41.5 mm -69.28 -36.21 71.37 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 O-C-N 123.463 0.477 . . . . 0.0 110.121 178.606 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -72.91 -28.99 62.78 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.521 179.029 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -76.12 -36.86 58.66 Favored 'General case' 0 N--CA 1.471 0.595 0 O-C-N 123.35 0.406 . . . . 0.0 111.643 179.456 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . 0.51 HG22 ' O ' ' A' ' 119' ' ' LEU . 3.3 m -75.32 -33.82 29.0 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.775 0 O-C-N 123.248 0.342 . . . . 0.0 110.965 178.727 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 34.2 ttt180 -71.31 -39.84 71.18 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.048 178.721 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -74.28 -34.28 63.5 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-N 116.04 -0.527 . . . . 0.0 112.162 179.748 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.506 0 N-CA-C 112.249 0.463 . . . . 0.0 112.249 -179.715 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 3.2 m . . . . . 0 N--CA 1.472 0.66 0 CA-C-O 120.434 0.159 . . . . 0.0 111.36 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 13.9 t -83.69 -16.87 43.34 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 115.993 -0.548 . . . . 0.0 111.97 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -96.26 -23.22 16.79 Favored 'General case' 0 N--CA 1.468 0.475 0 O-C-N 123.316 0.385 . . . . 0.0 111.928 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -86.72 -22.05 26.25 Favored 'General case' 0 N--CA 1.471 0.624 0 O-C-N 123.373 0.421 . . . . 0.0 111.863 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.4 m -74.67 -37.71 43.65 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 N-CA-C 112.523 0.564 . . . . 0.0 112.523 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -59.12 -39.74 94.79 Favored Glycine 0 C--N 1.342 0.871 0 CA-C-N 116.16 -0.473 . . . . 0.0 113.975 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -75.66 -36.4 60.14 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 122.446 0.298 . . . . 0.0 111.497 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.42 ' HD3' ' SD ' ' A' ' 61' ' ' MET . 97.2 mttt -73.21 -34.3 65.86 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.082 179.402 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.605 ' O ' HG21 ' A' ' 21' ' ' ILE . 87.4 m -74.11 -36.45 64.22 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.844 178.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.55 ' O ' HG23 ' A' ' 23' ' ' VAL . 36.6 mt-10 -70.06 -34.86 73.75 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.916 178.544 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.49 -38.52 68.13 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.351 179.137 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.605 HG21 ' O ' ' A' ' 18' ' ' CYS . 1.5 tp -71.92 -28.44 30.2 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.879 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.437 178.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.52 -43.48 44.51 Favored Glycine 0 C--N 1.348 1.228 0 CA-C-N 115.608 -0.724 . . . . 0.0 112.54 178.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.55 HG23 ' O ' ' A' ' 19' ' ' GLU . 2.7 m -70.23 -34.08 57.25 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 CA-C-O 120.685 0.279 . . . . 0.0 110.992 178.841 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -71.1 -33.53 70.25 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.789 178.388 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 10.3 tp -69.78 -40.22 76.17 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.16 178.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 14.5 mt -68.29 -42.59 79.28 Favored 'General case' 0 N--CA 1.474 0.728 0 O-C-N 123.309 0.381 . . . . 0.0 111.604 179.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 27.4 m-70 -69.69 -31.65 69.8 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.154 178.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.431 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 4.7 tp -74.74 -29.94 61.33 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.915 179.01 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.562 ' OE1' HD11 ' A' ' 113' ' ' ILE . 6.6 mm-40 -72.84 -41.1 65.18 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.978 179.123 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -69.8 -37.88 76.45 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.03 178.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -74.42 -27.18 60.51 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.519 179.084 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.431 ' HB2' ' O ' ' A' ' 28' ' ' LEU . 5.2 tt -73.92 -42.2 60.97 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.063 179.517 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 5.4 mt -72.53 -35.69 68.13 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.772 179.022 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -72.43 -31.04 63.72 Favored Glycine 0 C--N 1.343 0.963 0 CA-C-N 115.7 -0.682 . . . . 0.0 112.763 178.503 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -81.15 -30.19 34.52 Favored 'General case' 0 C--N 1.347 0.475 0 C-N-CA 122.603 0.361 . . . . 0.0 111.94 179.499 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 52.4 mtt -81.98 -30.08 31.82 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.975 179.756 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 10.7 t80 -81.15 -39.07 26.13 Favored 'General case' 0 N--CA 1.469 0.522 0 O-C-N 123.317 0.385 . . . . 0.0 111.343 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 52.4 m -86.49 -21.11 27.18 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.962 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 66.2 m80 61.56 110.29 0.02 OUTLIER 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 123.845 0.858 . . . . 0.0 111.897 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -142.04 159.45 42.2 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.888 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -97.89 -40.59 8.43 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.68 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.64 -36.36 82.39 Favored 'General case' 0 N--CA 1.475 0.794 0 N-CA-C 112.612 0.597 . . . . 0.0 112.612 -179.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.435 ' O ' ' HB2' ' A' ' 47' ' ' LEU . 7.0 mt -68.88 -28.3 66.57 Favored 'General case' 0 N--CA 1.472 0.625 0 CA-C-N 116.05 -0.523 . . . . 0.0 112.161 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 9.6 t80 -67.35 -41.07 85.78 Favored 'General case' 0 N--CA 1.472 0.656 0 O-C-N 123.263 0.352 . . . . 0.0 111.118 179.554 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -71.79 -38.82 70.23 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.549 178.779 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 53.2 m -69.19 -34.09 74.37 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.92 178.316 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.435 ' HB2' ' O ' ' A' ' 43' ' ' LEU . 3.7 tp -70.74 -35.96 72.91 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.298 179.16 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -71.14 -40.63 71.25 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.488 179.553 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -71.06 -39.19 63.38 Favored Glycine 0 C--N 1.344 1.016 0 CA-C-N 116.126 -0.488 . . . . 0.0 112.593 179.258 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.597 ' O ' HG23 ' A' ' 54' ' ' VAL . 42.3 mt-10 -70.54 -35.75 73.3 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 122.738 0.415 . . . . 0.0 111.049 179.231 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.403 ' HB2' ' O ' ' A' ' 47' ' ' LEU . 2.7 tt -70.35 -35.11 73.36 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.777 179.179 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -72.35 -33.51 67.33 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.292 178.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 18.9 p -73.79 -34.76 64.77 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.534 179.016 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.597 HG23 ' O ' ' A' ' 50' ' ' GLU . 87.7 t -73.63 -34.53 41.89 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.254 179.002 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 75.0 mttt -73.59 -35.02 65.35 Favored 'General case' 0 N--CA 1.471 0.583 0 O-C-N 123.354 0.409 . . . . 0.0 111.303 178.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -73.05 -34.13 66.1 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.292 178.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 18.2 p -73.48 -36.51 65.84 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.094 178.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.3 tt -70.61 -38.42 73.97 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.775 179.051 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.542 ' OE1' HD12 ' A' ' 62' ' ' ILE . 0.7 OUTLIER -69.6 -37.35 76.85 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.734 178.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.417 ' O ' ' HB2' ' A' ' 64' ' ' GLN . . . -69.85 -31.33 69.11 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.039 178.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' MET . . . . . 0.42 ' SD ' ' HD3' ' A' ' 17' ' ' LYS . 53.2 mmm -71.1 -44.55 65.43 Favored 'General case' 0 C--N 1.347 0.463 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.517 178.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.542 HD12 ' OE1' ' A' ' 59' ' ' GLN . 1.7 pt -75.56 -22.48 16.36 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 CA-C-N 116.177 -0.465 . . . . 0.0 112.023 179.539 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 2.7 tt -86.64 -26.1 24.54 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.149 179.341 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.417 ' HB2' ' O ' ' A' ' 60' ' ' ALA . 5.0 tt0 -88.21 -29.31 20.57 Favored 'General case' 0 N--CA 1.469 0.484 0 O-C-N 123.297 0.373 . . . . 0.0 111.578 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 18.5 mt . . . . . 0 N--CA 1.469 0.52 0 N-CA-C 111.982 0.364 . . . . 0.0 111.982 -180.0 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 . . . . . 0 N--CA 1.468 0.466 0 N-CA-C 112.1 0.407 . . . . 0.0 112.1 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -65.08 -36.04 83.04 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 112.908 0.707 . . . . 0.0 112.908 -179.311 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.404 ' H ' HD21 ' A' ' 102' ' ' LEU . 0.4 OUTLIER -86.39 -26.74 24.61 Favored 'General case' 0 N--CA 1.473 0.694 0 O-C-N 123.366 0.416 . . . . 0.0 111.888 179.851 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -72.27 -32.84 66.99 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 122.72 0.408 . . . . 0.0 111.852 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -64.71 -41.62 95.86 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 122.841 0.457 . . . . 0.0 111.824 179.569 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.439 ' O ' HD21 ' A' ' 109' ' ' LEU . 12.1 mptt -78.72 -33.35 46.82 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.581 179.81 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -71.57 -38.63 70.92 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.469 179.119 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . 0.446 ' OD2' ' HE3' ' A' ' 111' ' ' LYS . 2.6 t70 -75.87 -37.46 58.88 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.348 179.472 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 16.4 t -70.32 -39.17 74.92 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.072 179.358 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.439 HD21 ' O ' ' A' ' 105' ' ' LYS . 3.7 mm? -72.23 -36.46 69.12 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.109 179.332 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -68.94 -35.19 76.5 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.196 179.086 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . 0.446 ' HE3' ' OD2' ' A' ' 107' ' ' ASP . 95.7 mttt -74.85 -31.34 61.62 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.896 178.849 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -73.5 -32.76 64.45 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.529 178.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . 0.562 HD11 ' OE1' ' A' ' 29' ' ' GLU . 21.7 mt -78.98 -33.09 15.77 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 178.721 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -68.77 -37.65 79.49 Favored 'General case' 0 N--CA 1.472 0.665 0 O-C-N 123.344 0.402 . . . . 0.0 110.353 178.129 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 13.2 t80 -74.13 -35.74 64.13 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.886 178.404 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 7.7 tp -67.97 -34.83 77.3 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.671 178.64 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . 0.517 ' O ' HG13 ' A' ' 120' ' ' ILE . 36.3 tttt -72.95 -39.25 66.36 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.762 179.326 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . 0.476 ' O ' ' HB2' ' A' ' 122' ' ' GLU . 18.0 m-20 -69.32 -29.26 67.05 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.209 177.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.515 ' O ' HG22 ' A' ' 123' ' ' VAL . 13.8 mt -72.62 -42.76 64.11 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.406 179.279 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . 0.517 HG13 ' O ' ' A' ' 117' ' ' LYS . 1.3 pp -70.15 -35.55 63.97 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 O-C-N 123.353 0.408 . . . . 0.0 111.034 178.856 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -73.07 -29.21 62.79 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.373 178.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . 0.476 ' HB2' ' O ' ' A' ' 118' ' ' ASP . 11.0 tt0 -75.79 -37.62 59.01 Favored 'General case' 0 C--N 1.348 0.515 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.354 179.778 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . 0.515 HG22 ' O ' ' A' ' 119' ' ' LEU . 3.1 m -74.37 -33.16 32.91 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 O-C-N 123.3 0.375 . . . . 0.0 110.833 178.64 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 47.3 mtt180 -70.57 -40.48 73.3 Favored 'General case' 0 C--N 1.348 0.512 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.254 178.348 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -74.44 -33.49 62.94 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 115.937 -0.574 . . . . 0.0 112.074 179.66 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.589 0 CA-C-N 116.071 -0.513 . . . . 0.0 112.318 -179.662 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.8 m . . . . . 0 N--CA 1.473 0.715 0 CA-C-O 120.432 0.158 . . . . 0.0 111.276 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 14.8 t -86.48 -12.84 47.82 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.763 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -97.36 -17.39 19.76 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.665 179.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -91.26 -22.04 20.79 Favored 'General case' 0 N--CA 1.47 0.536 0 O-C-N 123.37 0.419 . . . . 0.0 111.703 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.7 m -67.02 -39.04 82.51 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 N-CA-C 112.717 0.636 . . . . 0.0 112.717 -179.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -64.98 -41.4 97.33 Favored Glycine 0 C--N 1.342 0.91 0 O-C-N 123.459 0.474 . . . . 0.0 113.771 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -74.7 -34.66 62.67 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 122.521 0.329 . . . . 0.0 111.42 179.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -74.16 -33.87 63.63 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.919 179.118 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.532 ' O ' HG22 ' A' ' 21' ' ' ILE . 38.0 t -72.24 -38.61 68.88 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.895 178.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -70.38 -37.24 74.5 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.488 179.138 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.484 ' O ' HG13 ' A' ' 23' ' ' VAL . . . -71.91 -38.79 69.87 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.539 179.582 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.532 HG22 ' O ' ' A' ' 18' ' ' CYS . 1.2 tt -71.85 -29.13 32.46 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.815 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.377 179.077 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -71.89 -41.36 55.63 Favored Glycine 0 C--N 1.349 1.269 0 CA-C-N 115.837 -0.62 . . . . 0.0 112.271 178.629 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.484 HG13 ' O ' ' A' ' 20' ' ' ALA . 9.2 p -70.92 -32.09 47.51 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.873 0 CA-C-O 120.652 0.263 . . . . 0.0 110.547 178.871 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -70.54 -38.42 74.2 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 115.802 -0.636 . . . . 0.0 111.138 178.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.425 ' O ' ' HG3' ' A' ' 29' ' ' GLU . 21.5 mt -69.75 -38.47 76.82 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.543 179.414 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 13.3 mt -68.45 -38.36 81.07 Favored 'General case' 0 N--CA 1.471 0.601 0 O-C-N 123.271 0.357 . . . . 0.0 111.224 179.01 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 5.0 t-80 -69.45 -34.51 74.5 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.885 179.025 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.417 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 23.2 mt -74.76 -29.03 61.0 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.205 178.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.425 ' HG3' ' O ' ' A' ' 25' ' ' LEU . 40.9 mt-10 -71.18 -41.14 70.7 Favored 'General case' 0 C--N 1.348 0.509 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.755 178.856 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -69.73 -37.71 76.61 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.75 178.352 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -74.16 -24.24 59.37 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.137 178.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.459 ' O ' ' HB2' ' A' ' 36' ' ' MET . 3.3 tp -76.26 -40.41 51.94 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.695 179.255 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.456 ' O ' ' HD1' ' A' ' 37' ' ' TYR . 4.7 tp -70.3 -38.97 75.11 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.624 178.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -72.05 -34.07 61.95 Favored Glycine 0 C--N 1.343 0.97 0 CA-C-N 115.694 -0.685 . . . . 0.0 112.975 179.044 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -81.35 -23.3 37.84 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 112.271 0.471 . . . . 0.0 112.271 179.557 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.459 ' HB2' ' O ' ' A' ' 32' ' ' LEU . 7.9 ttt -83.2 -38.03 22.83 Favored 'General case' 0 N--CA 1.47 0.561 0 O-C-N 123.251 0.344 . . . . 0.0 111.767 -179.786 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.456 ' HD1' ' O ' ' A' ' 33' ' ' LEU . 34.7 m-85 -81.18 -35.93 30.8 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 112.271 0.471 . . . . 0.0 112.271 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 52.4 m -86.48 -20.24 28.37 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 112.1 0.407 . . . . 0.0 112.1 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 66.8 m80 62.01 112.23 0.02 OUTLIER 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 123.819 0.848 . . . . 0.0 111.859 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -140.4 176.18 8.99 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.54 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -120.36 -43.53 2.51 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.257 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.98 -36.19 81.64 Favored 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 112.942 0.719 . . . . 0.0 112.942 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 13.2 mt -69.63 -32.39 71.05 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 112.357 0.503 . . . . 0.0 112.357 -179.39 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -68.96 -32.09 71.43 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 122.419 0.287 . . . . 0.0 111.591 179.608 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -76.17 -40.95 51.23 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.235 178.612 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 16.7 t -69.1 -37.91 78.66 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.841 178.589 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 15.6 mt -70.74 -36.71 73.29 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.58 179.187 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -67.75 -40.82 84.07 Favored 'General case' 0 N--CA 1.472 0.63 0 O-C-N 123.515 0.509 . . . . 0.0 111.227 179.614 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -71.26 -36.63 63.53 Favored Glycine 0 C--N 1.342 0.887 0 CA-C-N 115.981 -0.554 . . . . 0.0 112.64 179.094 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.593 ' O ' HG21 ' A' ' 54' ' ' VAL . 42.5 mt-10 -71.8 -37.32 70.42 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 122.721 0.408 . . . . 0.0 111.177 179.344 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 20.5 mt -70.55 -34.82 72.67 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.103 179.138 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -71.74 -35.14 70.05 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.071 179.01 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 19.6 p -72.74 -35.05 67.43 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.716 179.226 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.593 HG21 ' O ' ' A' ' 50' ' ' GLU . 80.2 t -74.48 -33.89 34.23 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.279 178.863 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -71.93 -35.81 69.76 Favored 'General case' 0 N--CA 1.471 0.622 0 O-C-N 123.396 0.435 . . . . 0.0 111.216 179.116 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -72.83 -38.88 66.99 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.055 179.086 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 19.1 p -72.56 -31.2 65.07 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.024 178.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.437 ' HB2' ' O ' ' A' ' 54' ' ' VAL . 2.8 tt -71.87 -38.31 70.07 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.567 179.046 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -69.28 -38.61 78.43 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.881 178.755 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.9 -31.32 69.04 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.253 178.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 80.0 mtp -71.5 -41.72 68.93 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.577 179.187 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 2.1 pp -75.56 -26.58 18.35 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 O-C-N 123.379 0.424 . . . . 0.0 111.847 179.592 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.4 tp -83.1 -27.31 30.28 Favored 'General case' 0 CA--C 1.538 0.494 0 O-C-N 123.5 0.5 . . . . 0.0 111.269 179.442 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 -86.78 -30.63 21.42 Favored 'General case' 0 N--CA 1.468 0.47 0 O-C-N 123.346 0.404 . . . . 0.0 111.882 179.719 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 16.7 mt . . . . . 0 N--CA 1.468 0.452 0 O-C-N 123.216 0.322 . . . . 0.0 111.492 -179.761 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 . . . . . 0 N--CA 1.467 0.397 0 CA-C-O 120.336 0.112 . . . . 0.0 111.228 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -76.8 -29.63 56.09 Favored 'General case' 0 N--CA 1.47 0.551 0 O-C-N 123.52 0.512 . . . . 0.0 111.727 179.611 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 12.4 mt -82.95 -26.67 31.15 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.88 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -72.67 -34.82 67.49 Favored 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 112.165 0.431 . . . . 0.0 112.165 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -64.78 -44.24 90.64 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 122.807 0.443 . . . . 0.0 111.729 179.691 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.495 ' O ' HD23 ' A' ' 109' ' ' LEU . 58.7 mttp -75.84 -33.95 60.07 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.381 179.76 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -71.59 -34.93 70.32 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.573 179.182 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -75.88 -38.17 58.14 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.409 179.663 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 51.4 m -68.82 -40.63 79.41 Favored 'General case' 0 N--CA 1.471 0.603 0 O-C-N 123.3 0.375 . . . . 0.0 111.433 179.425 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.495 HD23 ' O ' ' A' ' 105' ' ' LYS . 4.3 mm? -73.02 -36.32 66.95 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.316 179.34 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . 0.418 ' O ' ' HG3' ' A' ' 114' ' ' GLN . . . -68.46 -34.8 76.59 Favored 'General case' 0 N--CA 1.471 0.582 0 O-C-N 123.393 0.433 . . . . 0.0 111.294 179.27 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . 0.477 ' O ' ' HD1' ' A' ' 115' ' ' TYR . 21.7 mmtp -73.36 -35.95 66.05 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.795 178.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.468 ' O ' ' HB2' ' A' ' 116' ' ' LEU . 44.5 mt-10 -70.5 -31.2 68.2 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.288 178.872 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 29.0 mt -77.97 -32.89 17.84 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 178.435 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . 0.418 ' HG3' ' O ' ' A' ' 110' ' ' ALA . 53.1 mt-30 -67.24 -39.61 86.21 Favored 'General case' 0 N--CA 1.472 0.637 0 O-C-N 123.382 0.426 . . . . 0.0 110.82 178.556 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . 0.477 ' HD1' ' O ' ' A' ' 111' ' ' LYS . 23.4 m-85 -74.31 -35.82 63.68 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.03 178.139 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.613 ' O ' HG12 ' A' ' 120' ' ' ILE . 4.8 tp -68.05 -40.06 82.88 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 115.305 -0.861 . . . . 0.0 110.708 178.801 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -71.16 -33.46 70.03 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.813 179.027 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -68.67 -34.55 75.87 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.68 178.203 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 12.5 mt -72.03 -36.78 69.77 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.3 179.017 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . 0.613 HG12 ' O ' ' A' ' 116' ' ' LEU . 46.6 mm -69.67 -35.52 66.14 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 O-C-N 123.398 0.436 . . . . 0.0 110.18 178.384 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -72.89 -32.2 65.2 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.367 179.117 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -75.5 -33.02 60.73 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.557 179.468 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . 0.53 HG11 ' O ' ' A' ' 120' ' ' ILE . 10.0 p -76.93 -34.43 22.25 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.775 0 O-C-N 123.327 0.392 . . . . 0.0 110.45 178.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . 0.403 HH22 ' HG ' ' A' ' 18' ' ' CYS . 95.7 mtt180 -71.06 -38.03 72.49 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.153 178.453 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 53.8 tttt -74.03 -38.24 64.09 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.637 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.489 0 CA-C-N 116.152 -0.476 . . . . 0.0 112.184 -179.923 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.6 m . . . . . 0 N--CA 1.474 0.728 0 CA-C-O 120.405 0.145 . . . . 0.0 111.27 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 14.9 t -89.54 -15.25 33.34 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.738 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -96.65 -14.45 22.12 Favored 'General case' 0 C--O 1.236 0.37 0 O-C-N 123.239 0.337 . . . . 0.0 111.826 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -93.04 -22.28 19.23 Favored 'General case' 0 N--CA 1.468 0.468 0 O-C-N 123.355 0.409 . . . . 0.0 111.848 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.7 m -66.04 -39.81 85.53 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.951 0 N-CA-C 112.789 0.663 . . . . 0.0 112.789 -179.648 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -70.68 -40.53 65.76 Favored Glycine 0 C--N 1.343 0.943 0 CA-C-N 116.185 -0.461 . . . . 0.0 113.389 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -73.58 -35.3 65.42 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 122.61 0.364 . . . . 0.0 111.581 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.652 ' O ' HG12 ' A' ' 21' ' ' ILE . 92.5 mttt -71.76 -36.62 70.44 Favored 'General case' 0 N--CA 1.469 0.521 0 O-C-N 123.476 0.485 . . . . 0.0 111.225 179.328 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 89.4 m -72.08 -36.86 69.63 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.008 179.099 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.547 ' O ' HG23 ' A' ' 23' ' ' VAL . 41.6 mt-10 -70.03 -34.3 73.09 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.464 178.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.81 -41.19 65.16 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.789 179.608 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.652 HG12 ' O ' ' A' ' 17' ' ' LYS . 32.2 mm -72.4 -27.19 25.63 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 N-CA-C 109.811 -0.441 . . . . 0.0 109.811 178.727 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -70.34 -44.95 57.48 Favored Glycine 0 C--N 1.348 1.25 0 O-C-N 123.594 0.559 . . . . 0.0 112.34 178.557 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.547 HG23 ' O ' ' A' ' 19' ' ' GLU . 3.1 m -71.31 -33.04 49.0 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 CA-C-O 120.665 0.269 . . . . 0.0 111.254 179.018 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.444 ' O ' ' HB2' ' A' ' 28' ' ' LEU . 96.6 mttt -73.57 -33.48 64.68 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.911 178.735 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.449 ' HB2' ' O ' ' A' ' 21' ' ' ILE . 4.8 tp -69.78 -40.64 75.92 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.9 178.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.6 mt -68.9 -40.47 79.11 Favored 'General case' 0 N--CA 1.473 0.686 0 O-C-N 123.392 0.433 . . . . 0.0 110.995 179.104 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 5.0 t-80 -70.11 -31.59 69.22 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.623 178.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.479 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 3.6 tp -74.86 -29.25 60.97 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.775 178.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.437 ' HG3' ' O ' ' A' ' 25' ' ' LEU . 41.2 mt-10 -72.74 -41.11 65.49 Favored 'General case' 0 N--CA 1.47 0.56 0 O-C-N 123.471 0.482 . . . . 0.0 110.829 178.823 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -69.35 -37.47 77.67 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.596 178.533 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -74.21 -26.2 60.12 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.965 178.581 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.479 ' HB2' ' O ' ' A' ' 28' ' ' LEU . 3.3 tt -72.49 -40.82 66.6 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.68 179.163 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.437 ' O ' ' HD2' ' A' ' 37' ' ' TYR . 4.9 tp -70.67 -39.9 73.28 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.439 178.831 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -72.04 -26.88 71.42 Favored Glycine 0 C--N 1.343 0.924 0 CA-C-N 115.713 -0.676 . . . . 0.0 112.949 178.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -81.15 -33.07 33.39 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 122.68 0.392 . . . . 0.0 111.993 179.572 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 47.8 mtt -79.91 -33.45 39.81 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 112.286 0.476 . . . . 0.0 112.286 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.437 ' HD2' ' O ' ' A' ' 33' ' ' LEU . 24.4 m-85 -81.17 -41.6 22.13 Favored 'General case' 0 N--CA 1.472 0.635 0 O-C-N 123.291 0.369 . . . . 0.0 111.886 179.719 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 14.1 t -86.81 -18.4 31.1 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.82 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 72.5 m-70 62.62 113.67 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 123.889 0.876 . . . . 0.0 111.876 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -140.97 167.96 20.93 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.88 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -114.95 -41.38 3.36 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.382 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.95 -30.56 70.72 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 112.826 0.676 . . . . 0.0 112.826 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.461 ' O ' ' HB2' ' A' ' 47' ' ' LEU . 3.6 mt -69.95 -28.48 65.6 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 112.594 0.591 . . . . 0.0 112.594 -179.675 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 45.3 m-85 -74.24 -35.79 63.86 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 122.41 0.284 . . . . 0.0 111.517 179.287 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 13.7 tt0 -72.14 -41.65 66.91 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.515 179.27 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 54.2 m -69.1 -33.71 73.93 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.052 178.675 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.461 ' HB2' ' O ' ' A' ' 43' ' ' LEU . 2.2 tt -70.75 -36.23 73.02 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.128 179.244 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 54.3 mt-30 -71.42 -38.98 71.37 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.403 179.513 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -71.32 -36.38 63.37 Favored Glycine 0 C--N 1.344 0.981 0 CA-C-N 116.059 -0.519 . . . . 0.0 112.62 179.181 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.546 ' O ' HG21 ' A' ' 54' ' ' VAL . 42.2 mt-10 -72.03 -35.97 69.52 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 122.717 0.407 . . . . 0.0 111.093 179.247 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.8 tp -71.32 -34.98 71.05 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.79 179.2 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 54.1 mt-30 -72.97 -33.01 65.6 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.22 178.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 19.6 p -74.52 -34.59 63.06 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.494 179.12 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.546 HG21 ' O ' ' A' ' 50' ' ' GLU . 97.3 t -74.83 -34.04 32.25 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 O-C-N 123.373 0.421 . . . . 0.0 110.271 178.884 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -72.69 -36.71 67.93 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.238 179.081 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -73.12 -36.01 66.64 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.259 179.07 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 18.4 p -74.06 -33.23 63.62 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.09 178.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.7 tp -71.85 -39.39 69.75 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.523 179.236 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.405 ' O ' HG13 ' A' ' 62' ' ' ILE . 47.1 mt-30 -69.76 -37.83 76.54 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.993 178.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.98 -31.04 68.53 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 115.723 -0.672 . . . . 0.0 111.236 178.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' MET . . . . . 0.511 ' O ' ' HB2' ' A' ' 65' ' ' LEU . 4.6 tmm? -72.1 -43.72 64.33 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.994 179.223 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.405 HG13 ' O ' ' A' ' 59' ' ' GLN . 1.4 pt -75.31 -22.64 16.7 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 O-C-N 123.355 0.409 . . . . 0.0 111.644 179.247 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.9 tp -80.66 -32.78 35.98 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.47 178.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -88.82 -17.35 29.91 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.082 178.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.511 ' HB2' ' O ' ' A' ' 61' ' ' MET . 2.8 tt . . . . . 0 N--CA 1.47 0.561 0 C-N-CA 122.969 0.508 . . . . 0.0 111.455 179.506 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 . . . . . 0 N--CA 1.49 1.539 0 N-CA-C 112.809 0.67 . . . . 0.0 112.809 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -76.97 -30.42 55.97 Favored 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 112.211 0.449 . . . . 0.0 112.211 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 13.1 mt -86.28 -30.23 22.45 Favored 'General case' 0 N--CA 1.471 0.622 0 O-C-N 123.425 0.453 . . . . 0.0 111.597 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -74.14 -39.78 63.07 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 122.675 0.39 . . . . 0.0 111.723 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -64.68 -39.12 93.13 Favored 'General case' 0 N--CA 1.474 0.742 0 O-C-N 123.421 0.451 . . . . 0.0 111.659 179.507 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -76.11 -35.86 59.13 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.544 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -71.41 -38.29 71.45 Favored 'General case' 0 N--CA 1.47 0.552 0 O-C-N 123.473 0.483 . . . . 0.0 111.561 179.495 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -75.65 -33.46 60.46 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.624 179.384 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 57.9 m -71.66 -39.16 70.51 Favored 'General case' 0 N--CA 1.47 0.558 0 O-C-N 123.188 0.305 . . . . 0.0 111.227 179.306 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 21.7 mt -72.82 -37.59 67.44 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.206 179.344 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -69.47 -34.71 74.77 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.392 179.195 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . 0.464 ' O ' ' HD2' ' A' ' 115' ' ' TYR . 93.4 mttt -74.99 -32.24 61.62 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.902 179.018 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -73.25 -32.7 64.87 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.404 178.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 27.1 mt -78.62 -33.01 16.5 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 178.575 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -69.59 -36.69 76.46 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.809 178.565 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . 0.464 ' HD2' ' O ' ' A' ' 111' ' ' LYS . 9.5 m-85 -75.55 -35.89 60.56 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.25 177.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 9.8 tp -70.34 -39.46 74.68 Favored 'General case' 0 C--O 1.239 0.529 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.913 179.107 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 92.5 mttt -72.38 -36.07 68.62 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.806 179.181 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -69.26 -33.55 73.41 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.067 178.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.567 ' O ' HG23 ' A' ' 123' ' ' VAL . 17.7 mt -70.82 -43.71 68.02 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.381 179.549 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . 0.441 ' O ' ' HB2' ' A' ' 124' ' ' ARG . 1.9 pp -70.59 -30.75 43.78 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 O-C-N 123.222 0.326 . . . . 0.0 111.29 179.174 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -73.22 -33.06 65.13 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.452 178.593 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -73.78 -39.02 64.48 Favored 'General case' 0 N--CA 1.472 0.671 0 O-C-N 123.389 0.43 . . . . 0.0 111.501 179.64 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . 0.567 HG23 ' O ' ' A' ' 119' ' ' LEU . 22.2 t -73.7 -34.74 42.01 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 CA-C-N 116.327 -0.397 . . . . 0.0 109.979 178.862 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . 0.441 ' HB2' ' O ' ' A' ' 120' ' ' ILE . 38.7 ttt180 -70.95 -40.39 72.04 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.203 179.048 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -74.2 -30.25 62.12 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.95 179.614 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.538 0 O-C-N 123.419 0.449 . . . . 0.0 112.089 179.974 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 10.0 m . . . . . 0 CA--C 1.542 0.671 0 CA-C-O 121.219 0.533 . . . . 0.0 111.185 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 15.2 t -128.07 -39.64 1.73 Allowed 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.4 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -92.71 -21.97 19.67 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 116.27 -0.423 . . . . 0.0 112.095 -179.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -91.55 -22.41 20.36 Favored 'General case' 0 N--CA 1.468 0.438 0 O-C-N 123.267 0.354 . . . . 0.0 111.865 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.0 m -77.49 -40.84 29.02 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 N-CA-C 112.367 0.506 . . . . 0.0 112.367 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.523 ' O ' ' HB2' ' A' ' 19' ' ' GLU . . . -68.77 -36.82 83.28 Favored Glycine 0 C--N 1.342 0.874 0 CA-C-N 116.187 -0.46 . . . . 0.0 113.847 -179.512 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -75.26 -39.59 59.66 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 122.468 0.307 . . . . 0.0 111.665 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.649 ' O ' HG12 ' A' ' 21' ' ' ILE . 66.6 mttm -71.24 -37.94 71.97 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.18 179.574 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 99.5 m -72.51 -33.11 66.68 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.665 178.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.554 ' O ' HG22 ' A' ' 23' ' ' VAL . 9.0 tt0 -69.93 -33.88 72.73 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.717 178.59 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.15 -39.97 68.37 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.475 178.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.649 HG12 ' O ' ' A' ' 17' ' ' LYS . 33.5 mm -71.94 -27.37 27.29 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.98 178.563 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.35 -44.38 42.71 Favored Glycine 0 C--N 1.346 1.087 0 CA-C-N 116.09 -0.504 . . . . 0.0 112.576 178.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.554 HG22 ' O ' ' A' ' 19' ' ' GLU . 3.0 m -71.16 -34.02 53.19 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 CA-C-O 120.652 0.263 . . . . 0.0 111.295 179.22 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.403 ' O ' ' HB2' ' A' ' 28' ' ' LEU . 96.8 mttt -72.62 -33.51 66.7 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.86 178.816 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.438 ' HB2' ' O ' ' A' ' 21' ' ' ILE . 4.5 tp -70.11 -39.96 75.17 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 123.01 0.524 . . . . 0.0 111.084 179.162 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.9 mt -69.32 -41.01 77.27 Favored 'General case' 0 N--CA 1.473 0.699 0 O-C-N 123.396 0.435 . . . . 0.0 111.334 179.351 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 18.0 m-70 -70.91 -31.48 68.12 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.213 178.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.51 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 4.6 tp -74.83 -31.75 61.75 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.968 179.152 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -72.4 -40.74 66.97 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.943 179.16 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -69.7 -38.25 76.89 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.378 178.673 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -74.2 -24.38 59.34 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.215 178.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.533 ' O ' ' HB2' ' A' ' 36' ' ' MET . 2.4 tt -75.64 -39.67 57.42 Favored 'General case' 0 N--CA 1.471 0.599 0 O-C-N 123.49 0.494 . . . . 0.0 110.663 179.214 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.457 ' O ' ' HD1' ' A' ' 37' ' ' TYR . 5.6 tp -70.36 -40.75 73.87 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.39 178.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -70.27 -33.44 68.8 Favored Glycine 0 C--N 1.342 0.904 0 CA-C-N 115.616 -0.72 . . . . 0.0 112.663 179.112 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -81.3 -23.3 37.97 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 122.607 0.363 . . . . 0.0 111.725 179.274 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.533 ' HB2' ' O ' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -80.01 -34.89 38.05 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.759 179.853 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.457 ' HD1' ' O ' ' A' ' 33' ' ' LEU . 20.6 m-85 -79.51 -36.81 37.97 Favored 'General case' 0 N--CA 1.471 0.618 0 O-C-N 123.489 0.493 . . . . 0.0 112.055 179.722 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 80.4 p -86.49 -26.24 24.71 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 112.066 0.395 . . . . 0.0 112.066 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 71.3 m-70 63.79 111.64 0.03 OUTLIER 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 123.898 0.879 . . . . 0.0 111.789 -179.645 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -140.3 165.01 28.55 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.863 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -102.57 -40.71 6.53 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.553 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.78 -35.04 79.16 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 112.837 0.68 . . . . 0.0 112.837 -179.644 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.426 ' O ' ' HB2' ' A' ' 47' ' ' LEU . 4.0 mt -69.95 -28.43 65.56 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 112.371 0.508 . . . . 0.0 112.371 -179.607 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -73.78 -34.76 64.81 Favored 'General case' 0 N--CA 1.472 0.646 0 O-C-N 123.256 0.348 . . . . 0.0 111.421 179.165 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -72.54 -41.72 65.5 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.541 179.075 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 16.9 t -69.13 -32.27 71.53 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.744 178.414 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.426 ' HB2' ' O ' ' A' ' 43' ' ' LEU . 5.1 tp -70.65 -37.01 73.68 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.099 179.019 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 11.9 mm100 -71.17 -38.09 72.17 Favored 'General case' 0 N--CA 1.473 0.68 0 O-C-N 123.67 0.606 . . . . 0.0 111.354 179.376 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -71.53 -36.03 62.7 Favored Glycine 0 C--N 1.345 1.034 0 CA-C-N 115.936 -0.575 . . . . 0.0 112.718 179.044 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.582 ' O ' HG23 ' A' ' 54' ' ' VAL . 42.4 mt-10 -72.43 -35.86 68.44 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 122.734 0.414 . . . . 0.0 111.063 179.216 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.9 tt -70.4 -37.22 74.45 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.616 179.126 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -72.59 -31.28 65.08 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.119 179.032 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 17.5 p -75.03 -33.78 61.81 Favored 'General case' 0 N--CA 1.471 0.597 0 O-C-N 123.47 0.481 . . . . 0.0 111.51 179.047 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.582 HG23 ' O ' ' A' ' 50' ' ' GLU . 84.2 t -74.49 -35.01 37.38 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 O-C-N 123.333 0.396 . . . . 0.0 110.318 179.059 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 83.0 mttt -72.69 -37.21 67.94 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.282 178.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -72.89 -33.29 65.94 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.265 179.156 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 12.9 p -74.71 -33.95 62.49 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.094 178.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.8 tt -70.61 -39.39 73.79 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.413 179.027 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.5 ' O ' HG13 ' A' ' 62' ' ' ILE . 46.7 mt-30 -69.53 -38.2 77.42 Favored 'General case' 0 C--N 1.348 0.541 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.675 178.635 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.83 -28.56 65.8 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.245 178.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' MET . . . . . 0.51 ' O ' ' HB2' ' A' ' 65' ' ' LEU . 74.1 mtp -73.18 -43.11 61.93 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.281 178.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.5 HG13 ' O ' ' A' ' 59' ' ' GLN . 0.8 OUTLIER -74.1 -26.53 21.03 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 CA-C-N 116.131 -0.486 . . . . 0.0 112.006 179.805 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 22.8 mt -84.7 -28.83 26.07 Favored 'General case' 0 N--CA 1.468 0.459 0 O-C-N 123.355 0.409 . . . . 0.0 111.44 179.053 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -92.43 -14.2 28.92 Favored 'General case' 0 CA--C 1.536 0.431 0 O-C-N 123.378 0.424 . . . . 0.0 111.466 179.488 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.51 ' HB2' ' O ' ' A' ' 61' ' ' MET . 1.9 tt . . . . . 0 N--CA 1.475 0.785 0 C-N-CA 122.683 0.393 . . . . 0.0 111.645 179.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 . . . . . 0 N--CA 1.469 0.487 0 CA-C-O 120.444 0.164 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -76.76 -29.67 56.21 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 116.015 -0.538 . . . . 0.0 111.51 179.41 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 19.4 mt -84.34 -26.39 28.5 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.856 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -70.31 -35.86 73.93 Favored 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 112.131 0.419 . . . . 0.0 112.131 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -64.51 -43.13 95.07 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 122.658 0.383 . . . . 0.0 111.762 179.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -75.91 -33.62 59.9 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.523 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -71.67 -37.95 70.7 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.589 179.341 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -75.82 -34.42 60.13 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.707 179.431 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 71.2 m -71.2 -40.37 71.22 Favored 'General case' 0 N--CA 1.471 0.615 0 O-C-N 123.211 0.32 . . . . 0.0 111.305 179.302 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 22.3 mt -73.73 -35.33 65.05 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.333 179.361 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -70.99 -33.91 70.86 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.423 179.295 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 62.5 mttm -76.1 -32.94 59.46 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.849 178.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.51 ' O ' ' HB2' ' A' ' 116' ' ' LEU . 42.0 mt-10 -73.87 -32.38 63.6 Favored 'General case' 0 N--CA 1.471 0.586 0 O-C-N 123.579 0.55 . . . . 0.0 111.739 178.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 34.3 mt -80.07 -33.2 14.27 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 O-C-N 123.368 0.418 . . . . 0.0 110.243 178.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -70.66 -36.15 73.22 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-O 120.84 0.352 . . . . 0.0 110.088 177.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 11.9 t80 -74.22 -35.45 63.89 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 115.338 -0.846 . . . . 0.0 109.728 178.261 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.51 ' HB2' ' O ' ' A' ' 112' ' ' GLU . 1.7 tt -67.48 -36.22 80.69 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.82 178.691 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -72.1 -39.64 68.77 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.007 179.232 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . 0.512 ' O ' ' HB2' ' A' ' 122' ' ' GLU . 9.1 m-20 -69.38 -29.38 67.14 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.355 178.274 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.499 ' O ' HG22 ' A' ' 123' ' ' VAL . 18.6 mt -73.12 -42.81 62.51 Favored 'General case' 0 N--CA 1.47 0.534 0 O-C-N 123.399 0.437 . . . . 0.0 111.3 179.425 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 2.2 pp -70.71 -36.4 64.87 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 O-C-N 123.374 0.421 . . . . 0.0 111.196 179.264 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -73.13 -29.4 62.86 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.375 179.111 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . 0.512 ' HB2' ' O ' ' A' ' 118' ' ' ASP . 10.4 tt0 -76.08 -36.81 58.81 Favored 'General case' 0 C--N 1.347 0.475 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.418 179.833 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . 0.499 HG22 ' O ' ' A' ' 119' ' ' LEU . 3.9 m -75.27 -33.47 28.3 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 O-C-N 123.275 0.359 . . . . 0.0 110.942 178.659 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 74.3 mtp180 -70.95 -39.64 72.47 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.158 178.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -74.33 -39.21 62.98 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.83 179.464 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.536 0 CA-C-N 116.028 -0.533 . . . . 0.0 112.29 -179.902 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 6.1 m . . . . . 0 N--CA 1.473 0.697 0 N-CA-C 112.089 0.403 . . . . 0.0 112.089 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 52.9 m -100.72 -26.14 13.89 Favored 'General case' 0 N--CA 1.466 0.353 0 O-C-N 123.418 0.449 . . . . 0.0 111.666 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -91.55 -23.24 19.98 Favored 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 112.211 0.448 . . . . 0.0 112.211 -179.604 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -86.2 -22.26 27.04 Favored 'General case' 0 N--CA 1.47 0.542 0 O-C-N 123.247 0.342 . . . . 0.0 111.888 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.8 m -77.17 -38.96 28.21 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 N-CA-C 112.416 0.524 . . . . 0.0 112.416 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -58.56 -35.31 79.84 Favored Glycine 0 C--N 1.342 0.907 0 CA-C-N 116.112 -0.495 . . . . 0.0 113.873 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -76.8 -31.91 57.28 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 122.471 0.308 . . . . 0.0 111.301 179.561 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -76.01 -34.13 59.7 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.023 179.207 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.586 ' O ' HG21 ' A' ' 21' ' ' ILE . 74.8 m -74.31 -38.41 63.34 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.754 178.796 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.589 ' O ' HG21 ' A' ' 23' ' ' VAL . 40.6 mt-10 -70.25 -36.1 74.25 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.233 178.732 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -73.83 -35.35 64.83 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.539 179.392 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.586 HG21 ' O ' ' A' ' 18' ' ' CYS . 1.1 tp -73.93 -28.21 23.64 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.831 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.402 178.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -73.82 -44.55 30.87 Favored Glycine 0 C--N 1.348 1.226 0 CA-C-N 115.664 -0.698 . . . . 0.0 112.511 178.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.589 HG21 ' O ' ' A' ' 19' ' ' GLU . 3.3 m -71.1 -33.28 50.72 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 CA-C-O 120.576 0.227 . . . . 0.0 111.105 179.085 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.457 ' O ' ' HB2' ' A' ' 28' ' ' LEU . 55.4 mttt -72.35 -34.7 68.2 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.075 178.626 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.463 ' HB2' ' O ' ' A' ' 21' ' ' ILE . 2.2 tt -70.05 -39.79 75.51 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.271 179.301 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.2 mt -70.07 -41.27 74.34 Favored 'General case' 0 N--CA 1.473 0.717 0 O-C-N 123.347 0.404 . . . . 0.0 111.614 179.615 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 21.4 m80 -71.13 -31.41 67.69 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.28 179.17 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.457 ' HB2' ' O ' ' A' ' 24' ' ' LYS . 1.8 tt -74.92 -32.29 61.76 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.89 179.232 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.412 ' HG3' ' O ' ' A' ' 25' ' ' LEU . 43.6 mt-10 -72.42 -39.83 67.6 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.936 178.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -69.72 -38.59 76.97 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.563 178.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 54.4 mt-30 -74.14 -25.81 59.96 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.181 178.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.416 ' HB2' ' O ' ' A' ' 28' ' ' LEU . 5.1 tt -74.68 -39.4 62.01 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.704 179.201 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.412 ' O ' ' HD2' ' A' ' 37' ' ' TYR . 4.8 tp -71.13 -39.64 71.9 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.567 179.03 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -72.26 -31.18 63.99 Favored Glycine 0 C--N 1.343 0.967 0 CA-C-N 115.695 -0.684 . . . . 0.0 113.152 179.073 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -81.18 -29.11 34.72 Favored 'General case' 0 N--CA 1.469 0.521 0 N-CA-C 112.337 0.495 . . . . 0.0 112.337 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 43.9 mtt -82.65 -34.75 27.38 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 112.371 0.508 . . . . 0.0 112.371 -179.694 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.412 ' HD2' ' O ' ' A' ' 33' ' ' LEU . 26.6 m-85 -81.21 -40.52 23.71 Favored 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 111.973 0.36 . . . . 0.0 111.973 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 14.4 t -86.76 -25.59 24.59 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.722 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 66.5 m80 62.5 110.34 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 123.775 0.83 . . . . 0.0 111.83 -179.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -142.29 160.28 40.57 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.955 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -95.82 -38.59 10.24 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.554 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.7 -37.87 85.61 Favored 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 112.465 0.542 . . . . 0.0 112.465 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.469 ' O ' ' HB2' ' A' ' 47' ' ' LEU . 8.5 mt -71.6 -28.3 63.71 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 116.034 -0.53 . . . . 0.0 112.228 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 12.5 t80 -70.22 -39.94 74.83 Favored 'General case' 0 N--CA 1.473 0.703 0 O-C-N 123.358 0.411 . . . . 0.0 110.931 179.401 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 54.8 mt-30 -71.51 -39.92 70.47 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.486 179.027 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 52.9 m -69.05 -33.7 74.01 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.992 178.524 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.469 ' HB2' ' O ' ' A' ' 43' ' ' LEU . 2.4 tt -70.79 -35.93 72.8 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.205 179.273 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -70.65 -41.2 72.44 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.385 179.366 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -71.42 -38.05 62.41 Favored Glycine 0 C--N 1.344 0.998 0 CA-C-N 115.931 -0.577 . . . . 0.0 112.566 179.186 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.604 ' O ' HG23 ' A' ' 54' ' ' VAL . 40.1 mt-10 -71.43 -35.85 71.08 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 122.681 0.392 . . . . 0.0 111.114 179.178 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.401 ' HB2' ' O ' ' A' ' 47' ' ' LEU . 2.6 tt -70.19 -35.77 74.16 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.719 179.159 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 -72.23 -33.67 67.73 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.977 179.13 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 19.1 p -73.83 -33.99 64.37 Favored 'General case' 0 N--CA 1.472 0.635 0 O-C-N 123.423 0.452 . . . . 0.0 111.648 179.055 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.604 HG23 ' O ' ' A' ' 50' ' ' GLU . 87.8 t -73.78 -34.78 41.58 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.866 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.289 179.005 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 75.2 mttt -73.68 -35.11 65.14 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.291 178.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -72.98 -33.97 66.16 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.251 178.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 17.4 p -73.38 -37.35 66.04 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.206 178.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.0 tp -71.14 -37.24 72.28 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.795 179.2 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.424 ' O ' HG13 ' A' ' 62' ' ' ILE . 53.2 mt-30 -69.62 -37.09 76.7 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.865 178.62 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.443 ' O ' ' HB2' ' A' ' 64' ' ' GLN . . . -69.89 -31.49 69.32 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.113 178.682 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 15.8 ttt -70.7 -44.29 67.23 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.954 179.06 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.424 HG13 ' O ' ' A' ' 59' ' ' GLN . 1.6 pt -75.53 -22.69 16.45 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 O-C-N 123.424 0.453 . . . . 0.0 111.87 179.426 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.8 tp -86.49 -24.76 25.46 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.064 179.324 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.443 ' HB2' ' O ' ' A' ' 60' ' ' ALA . 5.5 tt0 -87.36 -31.09 20.32 Favored 'General case' 0 N--CA 1.468 0.466 0 O-C-N 123.435 0.46 . . . . 0.0 111.391 179.608 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 17.5 mt . . . . . 0 N--CA 1.47 0.537 0 O-C-N 123.315 0.384 . . . . 0.0 111.607 179.799 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 . . . . . 0 N--CA 1.47 0.563 0 N-CA-C 111.958 0.355 . . . . 0.0 111.958 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -77.07 -30.56 55.57 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 112.37 0.507 . . . . 0.0 112.37 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 12.8 mt -86.24 -29.49 23.1 Favored 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 112.01 0.374 . . . . 0.0 112.01 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -75.16 -38.19 61.01 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 112.002 0.371 . . . . 0.0 112.002 -179.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -64.72 -41.17 96.18 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 122.811 0.444 . . . . 0.0 111.703 179.505 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 23.7 tptt -75.8 -36.77 59.62 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.218 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -71.03 -35.9 72.17 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.532 179.375 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . 0.504 ' OD2' ' HE3' ' A' ' 111' ' ' LYS . 2.2 t70 -75.8 -34.84 60.19 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.424 179.582 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 47.6 p -68.93 -44.18 73.59 Favored 'General case' 0 N--CA 1.471 0.622 0 O-C-N 123.29 0.369 . . . . 0.0 111.484 179.449 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 3.2 mp -73.55 -32.42 64.18 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.387 179.353 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . 0.44 ' O ' ' HG3' ' A' ' 114' ' ' GLN . . . -68.03 -36.44 79.92 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 123.224 0.328 . . . . 0.0 110.94 178.606 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . 0.504 ' HE3' ' OD2' ' A' ' 107' ' ' ASP . 95.4 mttt -72.88 -35.18 67.11 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.491 178.474 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -67.93 -33.63 75.05 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.285 178.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 21.6 mt -77.14 -33.08 19.82 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 O-C-N 123.482 0.489 . . . . 0.0 109.747 178.534 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . 0.44 ' HG3' ' O ' ' A' ' 110' ' ' ALA . 53.6 mt-30 -65.26 -36.82 85.3 Favored 'General case' 0 N--CA 1.474 0.73 0 O-C-N 123.357 0.411 . . . . 0.0 110.425 178.141 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . 0.487 ' HD1' ' O ' ' A' ' 111' ' ' LYS . 17.8 m-85 -75.01 -35.61 61.97 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.004 177.768 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 2.0 tt -66.2 -38.86 89.02 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.86 178.67 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . 0.505 ' O ' HG13 ' A' ' 120' ' ' ILE . 95.2 mttt -72.75 -37.54 67.65 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.804 179.165 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -69.19 -32.02 71.03 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.983 178.507 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.549 ' O ' HG22 ' A' ' 123' ' ' VAL . 14.1 mt -71.77 -43.22 66.11 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.327 179.722 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . 0.505 HG13 ' O ' ' A' ' 117' ' ' LYS . 0.8 OUTLIER -69.81 -33.25 55.19 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.296 178.92 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -72.93 -32.11 65.06 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.427 178.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -73.28 -38.24 65.97 Favored 'General case' 0 N--CA 1.47 0.558 0 O-C-N 123.441 0.463 . . . . 0.0 111.685 179.548 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . 0.549 HG22 ' O ' ' A' ' 119' ' ' LEU . 2.7 m -74.01 -33.98 37.68 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 O-C-N 123.315 0.385 . . . . 0.0 111.069 178.666 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -70.56 -36.37 73.6 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.203 178.642 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -74.14 -36.55 64.14 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.287 179.04 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.602 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.987 179.528 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 5.4 m . . . . . 0 N--CA 1.472 0.673 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 50.2 m -94.03 -14.4 25.87 Favored 'General case' 0 N--CA 1.466 0.372 0 O-C-N 123.425 0.453 . . . . 0.0 111.867 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -94.86 -22.14 18.22 Favored 'General case' 0 N--CA 1.467 0.421 0 N-CA-C 112.117 0.414 . . . . 0.0 112.117 -179.709 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -87.03 -22.03 25.73 Favored 'General case' 0 N--CA 1.472 0.667 0 O-C-N 123.331 0.394 . . . . 0.0 111.961 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.7 m -71.09 -39.1 73.85 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 N-CA-C 112.589 0.589 . . . . 0.0 112.589 -179.707 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -60.53 -40.13 97.36 Favored Glycine 0 C--N 1.343 0.946 0 O-C-N 123.484 0.49 . . . . 0.0 113.823 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -75.02 -35.05 61.98 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 122.485 0.314 . . . . 0.0 111.468 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 60.2 mttp -73.89 -34.13 64.3 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.014 179.162 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.541 ' O ' HG23 ' A' ' 21' ' ' ILE . 94.0 m -72.79 -37.95 67.4 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.877 178.878 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.545 ' O ' HG22 ' A' ' 23' ' ' VAL . 41.3 mt-10 -70.18 -36.66 74.81 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.374 179.034 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.34 -38.38 68.62 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.6 179.555 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.541 HG23 ' O ' ' A' ' 18' ' ' CYS . 2.2 tp -72.81 -27.82 25.92 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.815 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.459 178.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -73.05 -42.55 43.81 Favored Glycine 0 C--N 1.348 1.245 0 CA-C-N 115.695 -0.684 . . . . 0.0 112.332 178.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.545 HG22 ' O ' ' A' ' 19' ' ' GLU . 2.8 m -71.18 -34.14 53.47 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 CA-C-O 120.698 0.285 . . . . 0.0 111.18 178.895 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -71.48 -35.02 70.67 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.909 178.645 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.7 tt -69.95 -39.23 76.18 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.097 179.072 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 13.5 mt -69.03 -39.98 78.91 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.429 179.406 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 15.5 m-70 -70.69 -31.69 68.66 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.02 178.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.432 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 0.6 OUTLIER -74.86 -30.48 61.35 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.064 178.907 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -73.11 -41.09 64.4 Favored 'General case' 0 N--CA 1.471 0.575 0 O-C-N 123.541 0.526 . . . . 0.0 110.694 179.15 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -69.9 -37.12 75.9 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.082 178.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 53.9 mt-30 -74.32 -28.64 61.25 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.244 179.043 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.432 ' HB2' ' O ' ' A' ' 28' ' ' LEU . 3.6 tt -72.89 -40.31 65.66 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.906 179.271 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.459 ' O ' ' HD2' ' A' ' 37' ' ' TYR . 4.8 tp -71.16 -39.12 72.11 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.52 178.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -71.96 -28.27 68.95 Favored Glycine 0 C--N 1.343 0.971 0 CA-C-N 115.744 -0.662 . . . . 0.0 112.794 179.025 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -80.99 -30.52 35.02 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 122.709 0.404 . . . . 0.0 111.826 179.199 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 39.6 mtt -78.83 -34.89 44.82 Favored 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 112.117 0.414 . . . . 0.0 112.117 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.459 ' HD2' ' O ' ' A' ' 33' ' ' LEU . 26.4 m-85 -81.08 -35.34 31.85 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 112.003 0.371 . . . . 0.0 112.003 179.802 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 14.4 t -86.55 -27.76 23.76 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.657 179.782 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 74.3 m-70 62.86 110.72 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 123.954 0.902 . . . . 0.0 112.01 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -142.46 162.72 34.74 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.588 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -95.71 -41.35 8.92 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.762 -179.691 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.88 -29.0 68.79 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 112.797 0.666 . . . . 0.0 112.797 -179.662 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -67.29 -28.95 68.43 Favored 'General case' 0 N--CA 1.472 0.651 0 N-CA-C 112.506 0.558 . . . . 0.0 112.506 -179.471 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 27.8 m-85 -68.69 -37.47 79.58 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 122.26 0.224 . . . . 0.0 111.527 179.55 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -72.82 -40.05 66.13 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.378 178.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 52.5 m -69.23 -38.73 78.66 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.475 178.677 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.409 ' O ' ' HB2' ' A' ' 51' ' ' LEU . 17.3 mt -70.79 -34.1 71.42 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 116.015 -0.539 . . . . 0.0 112.108 179.515 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -72.96 -40.37 65.41 Favored 'General case' 0 N--CA 1.472 0.669 0 O-C-N 123.314 0.384 . . . . 0.0 111.734 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -71.6 -38.06 61.71 Favored Glycine 0 C--N 1.342 0.891 0 CA-C-N 116.169 -0.469 . . . . 0.0 112.889 179.375 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -73.3 -35.5 66.12 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 122.872 0.469 . . . . 0.0 111.488 179.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.539 ' O ' HG11 ' A' ' 54' ' ' VAL . 4.0 tp -72.86 -36.05 67.33 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.455 179.563 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -74.19 -33.79 63.54 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.175 179.27 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 17.8 p -74.99 -33.99 61.92 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.475 179.036 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.539 HG11 ' O ' ' A' ' 51' ' ' LEU . 8.3 p -75.0 -34.04 31.13 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.811 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.718 179.358 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 63.6 mttm -73.7 -36.44 65.25 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.063 178.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -73.19 -33.35 65.36 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.223 178.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 10.7 p -74.03 -35.54 64.35 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.336 178.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.587 ' O ' HG12 ' A' ' 62' ' ' ILE . 5.8 tp -71.68 -39.27 70.35 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.661 179.185 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.474 ' O ' ' HB2' ' A' ' 63' ' ' LEU . 47.3 mt-30 -69.6 -37.2 76.8 Favored 'General case' 0 C--N 1.348 0.519 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.791 178.816 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.526 ' O ' ' HG2' ' A' ' 64' ' ' GLN . . . -68.45 -32.99 73.4 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.911 178.794 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 82.1 mtp -68.4 -46.42 70.02 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.262 178.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.587 HG12 ' O ' ' A' ' 58' ' ' LEU . 11.8 mm -75.38 -18.16 15.9 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.88 179.553 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.474 ' HB2' ' O ' ' A' ' 59' ' ' GLN . 2.4 tt -82.4 -33.75 28.58 Favored 'General case' 0 N--CA 1.469 0.506 0 O-C-N 123.231 0.332 . . . . 0.0 111.53 179.495 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.526 ' HG2' ' O ' ' A' ' 60' ' ' ALA . 11.3 pt20 -87.74 -29.25 21.21 Favored 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 21.4 mt . . . . . 0 N--CA 1.471 0.602 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 -179.831 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 . . . . . 0 N--CA 1.468 0.453 0 N-CA-C 111.468 0.173 . . . . 0.0 111.468 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -76.62 -30.02 56.72 Favored 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 112.287 0.476 . . . . 0.0 112.287 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 13.8 mt -86.2 -29.63 23.04 Favored 'General case' 0 N--CA 1.469 0.487 0 O-C-N 123.343 0.402 . . . . 0.0 111.755 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -75.11 -40.74 59.71 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 122.633 0.373 . . . . 0.0 111.622 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -64.63 -38.4 90.88 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.669 179.447 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -76.71 -35.78 57.63 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.521 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -69.58 -37.8 77.11 Favored 'General case' 0 N--CA 1.47 0.572 0 O-C-N 123.381 0.425 . . . . 0.0 111.601 179.485 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -75.7 -37.45 59.46 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.448 179.423 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' SER . . . . . 0.486 ' O ' ' HG2' ' A' ' 112' ' ' GLU . 73.0 m -69.28 -40.02 78.0 Favored 'General case' 0 N--CA 1.472 0.643 0 O-C-N 123.278 0.361 . . . . 0.0 111.128 179.127 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 24.6 mt -70.21 -38.82 75.36 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.044 179.282 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -71.07 -30.15 66.22 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.902 179.663 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -74.38 -38.89 63.03 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.472 179.464 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.486 ' HG2' ' O ' ' A' ' 108' ' ' SER . 7.7 pt-20 -73.6 -31.09 63.38 Favored 'General case' 0 N--CA 1.476 0.847 0 O-C-N 123.3 0.375 . . . . 0.0 111.657 178.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 48.4 mt -77.04 -33.1 20.08 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 O-C-N 123.207 0.317 . . . . 0.0 110.477 178.651 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -71.25 -40.12 71.19 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-O 120.801 0.334 . . . . 0.0 110.467 178.505 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 11.8 t80 -70.02 -35.79 74.59 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.024 178.441 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.662 ' O ' HG12 ' A' ' 120' ' ' ILE . 10.3 tp -65.19 -40.53 94.35 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.523 178.639 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -66.56 -38.52 87.28 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.012 179.105 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -68.6 -30.88 69.71 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.122 178.594 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 14.9 mt -73.69 -34.27 64.79 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.483 179.094 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . 0.662 HG12 ' O ' ' A' ' 116' ' ' LEU . 30.0 mm -72.44 -37.36 57.3 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.301 178.774 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -72.81 -32.64 65.68 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.423 179.288 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -75.89 -33.67 59.94 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.553 179.267 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . 0.547 HG11 ' O ' ' A' ' 120' ' ' ILE . 9.9 p -75.16 -34.95 32.87 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.785 0 O-C-N 123.302 0.376 . . . . 0.0 110.523 179.085 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -71.2 -39.84 71.55 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.109 178.565 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 58.7 mttp -74.22 -30.32 62.13 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.908 179.475 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.549 0 CA-C-N 116.267 -0.424 . . . . 0.0 112.118 -179.915 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.419 ' O ' HG13 ' A' ' 14' ' ' VAL . 2.9 m . . . . . 0 N--CA 1.473 0.691 0 CA-C-O 120.532 0.206 . . . . 0.0 111.011 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 58.1 m -85.92 -14.9 43.38 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.837 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -98.03 -20.42 17.4 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.65 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -89.61 -22.07 22.5 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.864 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.419 HG13 ' O ' ' A' ' 10' ' ' VAL . 2.9 m -64.75 -39.82 86.93 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 N-CA-C 112.814 0.672 . . . . 0.0 112.814 -179.828 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -62.23 -39.87 98.26 Favored Glycine 0 C--N 1.342 0.87 0 O-C-N 123.519 0.512 . . . . 0.0 113.485 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -76.59 -31.5 57.52 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 122.602 0.361 . . . . 0.0 111.255 179.68 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -75.67 -34.25 60.45 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.046 179.305 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.515 ' O ' HG23 ' A' ' 21' ' ' ILE . 98.0 m -74.49 -38.42 62.89 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.646 178.82 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.55 ' O ' HG22 ' A' ' 23' ' ' VAL . 41.9 mt-10 -70.29 -35.37 73.67 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.39 178.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.37 -40.53 67.22 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.427 179.398 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.515 HG23 ' O ' ' A' ' 18' ' ' CYS . 1.1 tt -71.33 -27.64 29.71 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.847 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.389 178.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.1 -43.72 47.25 Favored Glycine 0 C--N 1.348 1.199 0 CA-C-N 115.712 -0.676 . . . . 0.0 112.241 178.646 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.55 HG22 ' O ' ' A' ' 19' ' ' GLU . 2.8 m -71.23 -30.46 40.42 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 CA-C-O 120.631 0.253 . . . . 0.0 111.28 178.796 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -72.89 -36.26 67.3 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.843 178.5 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.8 tp -70.22 -39.44 75.11 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.218 179.339 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.3 mt -70.79 -38.61 73.38 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.391 179.508 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.479 ' HD2' ' NE2' ' A' ' 31' ' ' GLN . 2.9 t60 -72.36 -31.8 65.92 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.776 179.119 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.457 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 5.0 tp -74.72 -31.83 61.96 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.752 179.059 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -73.87 -36.68 64.85 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.765 178.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -69.67 -39.98 76.67 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.454 178.68 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.479 ' NE2' ' HD2' ' A' ' 27' ' ' HIS . 43.9 mt-30 -74.15 -27.2 60.72 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.021 178.873 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.457 ' HB2' ' O ' ' A' ' 28' ' ' LEU . 3.7 tt -72.12 -39.62 68.71 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.788 179.275 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.44 ' O ' ' HD1' ' A' ' 37' ' ' TYR . 4.8 tp -71.59 -39.8 70.32 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.415 178.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -71.98 -26.54 72.29 Favored Glycine 0 C--N 1.344 1.004 0 CA-C-N 115.71 -0.677 . . . . 0.0 112.792 178.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -81.09 -33.04 33.62 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 122.721 0.408 . . . . 0.0 111.907 179.334 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 47.8 mtt -78.98 -33.79 44.76 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 112.372 0.508 . . . . 0.0 112.372 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.44 ' HD1' ' O ' ' A' ' 33' ' ' LEU . 25.8 m-85 -81.13 -39.26 25.88 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 111.931 0.345 . . . . 0.0 111.931 179.776 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 53.2 m -86.74 -21.63 26.46 Favored 'General case' 0 N--CA 1.47 0.568 0 O-C-N 123.403 0.439 . . . . 0.0 111.865 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 72.3 m-70 62.06 111.63 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 123.926 0.89 . . . . 0.0 111.907 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -142.62 164.41 30.18 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.792 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -106.94 -40.03 5.59 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.398 179.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.85 -31.51 72.18 Favored 'General case' 0 N--CA 1.473 0.717 0 N-CA-C 112.842 0.682 . . . . 0.0 112.842 -179.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.5 mt -67.06 -28.58 68.32 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 112.43 0.53 . . . . 0.0 112.43 -179.636 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -68.86 -37.48 79.12 Favored 'General case' 0 N--CA 1.474 0.746 0 O-C-N 123.134 0.271 . . . . 0.0 111.213 178.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -72.41 -38.11 68.48 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.531 178.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 16.4 t -68.89 -36.88 78.58 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 115.701 -0.682 . . . . 0.0 110.865 178.538 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.407 ' O ' ' HB2' ' A' ' 51' ' ' LEU . 17.5 mt -70.7 -33.8 71.27 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.594 178.752 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -70.37 -40.55 73.94 Favored 'General case' 0 N--CA 1.474 0.755 0 O-C-N 123.5 0.5 . . . . 0.0 111.391 179.381 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -70.46 -39.69 69.02 Favored Glycine 0 C--N 1.344 1.006 0 CA-C-N 116.073 -0.512 . . . . 0.0 112.345 179.036 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.6 ' O ' HG23 ' A' ' 54' ' ' VAL . 43.7 mt-10 -69.52 -35.63 75.67 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 122.753 0.421 . . . . 0.0 110.847 179.03 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.407 ' HB2' ' O ' ' A' ' 47' ' ' LEU . 2.4 tp -70.06 -34.95 73.86 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.838 179.128 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 19.1 mm-40 -71.86 -33.75 68.67 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.361 179.017 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 19.5 p -73.56 -36.03 65.55 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.54 179.003 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.6 HG23 ' O ' ' A' ' 50' ' ' GLU . 57.5 t -73.17 -34.33 44.4 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.185 178.877 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 64.7 mttm -72.9 -34.5 66.69 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.827 178.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -73.02 -33.46 65.76 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.96 178.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 19.2 p -73.03 -37.06 67.03 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.189 179.016 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 17.5 mt -70.74 -38.06 73.49 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.884 178.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.465 ' O ' HG23 ' A' ' 62' ' ' ILE . 46.7 mt-30 -69.29 -36.9 77.52 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.748 178.82 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -70.2 -32.18 69.98 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.092 178.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 87.1 mtp -70.76 -40.89 72.4 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.482 179.122 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.465 HG23 ' O ' ' A' ' 59' ' ' GLN . 3.0 tp -75.28 -27.22 19.3 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.861 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.244 179.278 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.8 tp -83.49 -24.42 31.75 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.4 179.537 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -89.52 -29.38 18.98 Favored 'General case' 0 N--CA 1.469 0.495 0 O-C-N 123.348 0.405 . . . . 0.0 111.766 179.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 20.3 mt . . . . . 0 N--CA 1.471 0.585 0 O-C-N 123.188 0.305 . . . . 0.0 111.517 179.913 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 . . . . . 0 N--CA 1.467 0.396 0 CA-C-O 120.389 0.138 . . . . 0.0 111.238 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -76.9 -29.6 55.82 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.867 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 23.5 mt -84.57 -26.65 27.83 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.744 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -72.46 -37.61 68.48 Favored 'General case' 0 N--CA 1.473 0.681 0 O-C-N 123.266 0.354 . . . . 0.0 111.87 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -64.66 -39.68 94.1 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.643 179.66 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.434 ' O ' ' HB2' ' A' ' 109' ' ' LEU . 97.1 mttt -78.32 -31.63 48.88 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.516 179.777 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -71.55 -40.85 69.74 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.514 179.224 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -75.92 -36.01 59.56 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.778 179.63 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' SER . . . . . 0.421 ' O ' ' HG3' ' A' ' 112' ' ' GLU . 17.1 t -70.54 -42.11 71.64 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 123.295 0.372 . . . . 0.0 111.087 179.435 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.434 ' HB2' ' O ' ' A' ' 105' ' ' LYS . 5.0 mp -71.94 -33.78 68.51 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.321 179.287 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -70.86 -33.75 70.95 Favored 'General case' 0 N--CA 1.471 0.602 0 O-C-N 123.344 0.402 . . . . 0.0 110.88 178.583 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . 0.435 ' O ' ' HB2' ' A' ' 115' ' ' TYR . 63.8 mttm -75.12 -29.75 60.66 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.699 178.504 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.421 ' HG3' ' O ' ' A' ' 108' ' ' SER . 45.9 mt-10 -72.32 -39.3 68.32 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.4 178.764 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 13.2 mt -73.05 -37.25 52.84 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.078 179.051 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 53.6 mt-30 -70.56 -32.54 69.99 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.863 178.631 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . 0.435 ' HB2' ' O ' ' A' ' 111' ' ' LYS . 10.6 t80 -72.33 -36.46 68.84 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.831 179.117 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 13.7 mt -69.42 -37.91 77.65 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.016 178.659 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -68.41 -39.22 81.71 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.947 178.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -68.94 -32.2 71.62 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.134 178.537 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.539 ' O ' HG23 ' A' ' 123' ' ' VAL . 14.4 mt -70.57 -39.21 74.04 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.652 179.307 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 14.3 mt -70.56 -36.47 65.94 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.202 178.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -72.95 -28.01 62.17 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.516 178.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -76.13 -38.42 56.82 Favored 'General case' 0 N--CA 1.469 0.503 0 O-C-N 123.393 0.433 . . . . 0.0 111.538 179.307 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . 0.539 HG23 ' O ' ' A' ' 119' ' ' LEU . 2.6 m -72.59 -36.29 53.26 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 O-C-N 123.355 0.409 . . . . 0.0 111.002 178.769 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -70.39 -39.08 74.73 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.652 178.696 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 54.9 tttt -74.44 -25.81 59.66 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.276 178.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.496 0 CA-C-N 116.105 -0.498 . . . . 0.0 112.277 -179.846 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 3.6 m . . . . . 0 N--CA 1.47 0.538 0 CA-C-O 121.333 0.587 . . . . 0.0 111.574 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 49.4 m -143.62 -43.87 0.28 Allowed 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.867 179.703 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -97.84 -12.18 22.45 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.691 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -87.73 -22.65 24.47 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 122.601 0.36 . . . . 0.0 111.748 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.4 t -77.43 -22.74 14.29 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 C-N-CA 122.713 0.405 . . . . 0.0 111.336 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -73.36 -44.22 35.01 Favored Glycine 0 C--N 1.345 1.041 0 CA-C-N 116.505 -0.316 . . . . 0.0 113.245 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -74.48 -32.14 62.45 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 122.576 0.35 . . . . 0.0 111.445 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.635 ' O ' HG12 ' A' ' 21' ' ' ILE . 97.0 mttt -72.37 -39.41 68.06 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.131 179.532 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 83.8 m -71.72 -36.87 70.64 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.948 178.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.563 ' O ' HG23 ' A' ' 23' ' ' VAL . 40.0 mt-10 -70.1 -31.71 69.41 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.141 178.86 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -73.09 -41.64 63.85 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.55 179.263 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.635 HG12 ' O ' ' A' ' 17' ' ' LYS . 39.3 mm -71.41 -27.37 28.65 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.898 178.63 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -71.12 -45.42 49.97 Favored Glycine 0 C--N 1.348 1.197 0 CA-C-N 115.924 -0.58 . . . . 0.0 112.436 178.651 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.563 HG23 ' O ' ' A' ' 19' ' ' GLU . 3.7 m -71.44 -30.63 40.12 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 CA-C-O 120.585 0.231 . . . . 0.0 111.547 179.054 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.433 ' O ' ' HB2' ' A' ' 28' ' ' LEU . 96.3 mttt -74.65 -34.13 62.66 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.959 178.784 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.3 tt -70.12 -41.95 73.27 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 115.921 -0.582 . . . . 0.0 111.0 179.086 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.9 mt -69.82 -38.32 76.52 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.011 179.151 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.464 ' HD2' ' OE1' ' A' ' 31' ' ' GLN . 2.1 t60 -71.41 -31.52 67.34 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.748 179.038 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.493 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 4.9 tp -74.92 -30.47 61.26 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.857 178.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -72.87 -41.02 65.17 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.091 178.663 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -69.89 -37.4 76.02 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.129 178.738 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.464 ' OE1' ' HD2' ' A' ' 27' ' ' HIS . 49.7 mt-30 -74.33 -29.87 61.79 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.527 179.189 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.493 ' HB2' ' O ' ' A' ' 28' ' ' LEU . 2.0 tt -73.57 -39.88 64.32 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.087 179.728 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.1 tt -71.61 -39.21 70.62 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.456 179.129 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -72.35 -28.16 68.43 Favored Glycine 0 C--N 1.344 1.014 0 CA-C-N 115.605 -0.725 . . . . 0.0 112.875 178.808 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -80.89 -31.04 35.37 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 122.586 0.354 . . . . 0.0 111.833 179.325 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 82.6 mtp -80.4 -32.18 37.56 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.653 179.703 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 10.4 t80 -81.27 -41.47 22.12 Favored 'General case' 0 N--CA 1.47 0.554 0 O-C-N 123.399 0.437 . . . . 0.0 111.411 179.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 53.7 m -86.72 -24.77 25.04 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 116.152 -0.476 . . . . 0.0 112.003 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 70.3 m-70 63.34 110.03 0.03 OUTLIER 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 123.805 0.842 . . . . 0.0 111.933 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -141.12 163.5 32.8 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.775 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -99.69 -40.43 7.77 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.421 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.73 -28.95 68.83 Favored 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 112.848 0.684 . . . . 0.0 112.848 -179.608 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.432 ' O ' ' HB2' ' A' ' 47' ' ' LEU . 4.3 mm? -67.27 -28.67 68.22 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 112.516 0.562 . . . . 0.0 112.516 -179.534 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 46.8 m-85 -74.82 -34.52 62.37 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 122.39 0.276 . . . . 0.0 111.675 179.621 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 -72.31 -42.36 65.52 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.805 179.219 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 52.1 m -69.26 -34.89 75.47 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.263 178.744 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.432 ' HB2' ' O ' ' A' ' 43' ' ' LEU . 4.5 tp -70.78 -36.62 73.12 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.601 179.484 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 -72.3 -39.3 68.39 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.782 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -71.57 -39.64 60.46 Favored Glycine 0 C--N 1.343 0.962 0 CA-C-N 116.176 -0.465 . . . . 0.0 112.928 179.479 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -71.95 -35.73 69.66 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 122.749 0.42 . . . . 0.0 111.513 179.647 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.8 tp -72.47 -35.7 68.28 Favored 'General case' 0 N--CA 1.47 0.551 0 O-C-N 123.572 0.545 . . . . 0.0 111.253 179.58 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -74.45 -31.41 62.25 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.205 179.096 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 17.2 p -74.5 -36.98 63.25 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.534 179.135 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 13.7 m -74.11 -34.18 37.6 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.989 178.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -71.54 -36.98 71.16 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.032 178.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -72.98 -33.17 65.66 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.017 178.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 11.5 p -73.78 -35.35 64.94 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.435 179.058 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 20.9 mt -72.92 -36.58 67.27 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.868 178.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.512 ' O ' HG13 ' A' ' 62' ' ' ILE . 9.6 tt0 -69.54 -38.35 77.46 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.636 178.833 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.38 -35.05 75.44 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.781 178.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' MET . . . . . 0.462 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 81.7 mtp -66.63 -43.18 85.41 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.5 179.247 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.512 HG13 ' O ' ' A' ' 59' ' ' GLN . 1.2 pt -74.4 -25.96 19.95 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 O-C-N 123.414 0.446 . . . . 0.0 111.817 179.662 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.4 mp -82.95 -20.61 34.92 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.216 178.651 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -86.96 -38.75 16.35 Favored 'General case' 0 N--CA 1.468 0.471 0 N-CA-C 112.305 0.483 . . . . 0.0 112.305 179.593 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.462 ' HG ' ' O ' ' A' ' 61' ' ' MET . 3.3 pp . . . . . 0 N--CA 1.472 0.634 0 N-CA-C 112.123 0.416 . . . . 0.0 112.123 -179.647 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 . . . . . 0 N--CA 1.47 0.557 0 N-CA-C 111.931 0.345 . . . . 0.0 111.931 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -76.95 -29.95 55.84 Favored 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 112.193 0.442 . . . . 0.0 112.193 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 13.3 mt -86.18 -26.61 25.03 Favored 'General case' 0 N--CA 1.469 0.516 0 O-C-N 123.481 0.488 . . . . 0.0 111.84 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -67.74 -37.46 82.19 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 112.132 0.419 . . . . 0.0 112.132 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -64.52 -38.95 92.81 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 122.783 0.433 . . . . 0.0 111.55 179.562 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 59.0 mttp -74.78 -33.5 62.28 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.271 179.61 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -71.51 -36.41 71.06 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.531 179.426 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 -75.61 -35.46 60.5 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.42 179.282 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' SER . . . . . 0.43 ' O ' ' HG3' ' A' ' 112' ' ' GLU . 16.1 t -70.57 -41.44 72.41 Favored 'General case' 0 N--CA 1.471 0.592 0 O-C-N 123.309 0.381 . . . . 0.0 110.991 179.047 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 26.8 mt -70.68 -35.92 73.06 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.147 179.262 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -69.74 -34.43 73.82 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.269 179.01 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -74.44 -29.9 61.67 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.853 178.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.43 ' HG3' ' O ' ' A' ' 108' ' ' SER . 45.2 mt-10 -73.44 -38.24 65.58 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.458 178.842 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 13.6 mt -74.34 -34.21 36.08 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.247 179.272 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 52.9 mt-30 -72.64 -34.03 67.01 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.012 178.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 10.4 t80 -72.19 -38.2 69.12 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.614 179.189 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.683 ' O ' HG12 ' A' ' 120' ' ' ILE . 15.1 mt -68.2 -38.4 81.92 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.895 178.713 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 64.1 mttm -68.34 -37.93 81.01 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.33 179.273 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -68.81 -33.71 74.3 Favored 'General case' 0 N--CA 1.47 0.56 0 O-C-N 123.459 0.474 . . . . 0.0 111.425 178.75 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 16.5 mt -71.33 -38.96 71.66 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.789 179.299 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . 0.683 HG12 ' O ' ' A' ' 116' ' ' LEU . 28.5 mm -72.28 -33.66 46.87 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 O-C-N 123.356 0.41 . . . . 0.0 110.443 179.302 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -73.02 -33.57 65.82 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.452 179.259 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -74.94 -34.99 62.16 Favored 'General case' 0 N--CA 1.47 0.557 0 O-C-N 123.515 0.509 . . . . 0.0 111.433 179.493 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . 0.507 HG11 ' O ' ' A' ' 120' ' ' ILE . 9.9 p -74.87 -34.51 33.34 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.813 0 O-C-N 123.413 0.446 . . . . 0.0 110.606 178.897 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -71.17 -37.64 72.19 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.369 178.694 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -73.89 -36.56 64.78 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.853 179.504 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.523 0 CA-C-N 116.035 -0.529 . . . . 0.0 112.065 179.907 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 5.3 m . . . . . 0 CA--C 1.541 0.604 0 CA-C-O 121.444 0.64 . . . . 0.0 111.338 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 52.9 m -138.73 -39.64 0.5 Allowed 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 115.224 -0.898 . . . . 0.0 111.118 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -95.51 -26.56 15.76 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.832 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -84.54 -22.66 30.05 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 122.55 0.34 . . . . 0.0 111.834 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 1.6 m -77.44 -36.07 23.0 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 N-CA-C 112.456 0.539 . . . . 0.0 112.456 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -57.3 -38.34 86.0 Favored Glycine 0 C--N 1.341 0.842 0 O-C-N 123.598 0.561 . . . . 0.0 114.012 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -75.63 -32.53 60.28 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 122.463 0.305 . . . . 0.0 111.286 179.56 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -75.52 -33.98 60.76 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.843 179.057 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.555 ' O ' HG22 ' A' ' 21' ' ' ILE . 48.5 t -72.95 -38.81 66.62 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.718 178.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.555 ' O ' HG21 ' A' ' 23' ' ' VAL . 42.8 mt-10 -70.24 -37.32 74.94 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.408 178.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.3 -38.03 68.83 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.513 179.522 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.555 HG22 ' O ' ' A' ' 18' ' ' CYS . 1.3 tp -72.34 -28.46 28.84 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.792 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.459 179.1 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -73.04 -42.81 42.85 Favored Glycine 0 C--N 1.349 1.266 0 CA-C-N 115.705 -0.68 . . . . 0.0 112.433 178.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.555 HG21 ' O ' ' A' ' 19' ' ' GLU . 2.9 m -71.21 -32.95 49.12 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 122.236 0.214 . . . . 0.0 111.232 178.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -71.61 -37.12 70.97 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.104 178.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.5 tp -69.82 -39.01 76.75 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.453 179.289 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.4 mt -69.63 -41.73 75.25 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.809 179.763 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 21.5 m80 -70.75 -31.77 68.7 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.439 179.264 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.441 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 0.8 OUTLIER -74.92 -31.49 61.55 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.355 179.036 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -72.86 -40.86 65.33 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.992 179.018 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -69.96 -37.64 75.87 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.246 178.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -74.4 -28.45 61.1 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.469 179.154 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.441 ' HB2' ' O ' ' A' ' 28' ' ' LEU . 3.6 tt -73.38 -41.5 63.29 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 122.855 0.462 . . . . 0.0 110.984 179.577 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.464 ' O ' ' HD2' ' A' ' 37' ' ' TYR . 8.8 mt -71.55 -37.53 71.09 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.705 178.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -71.97 -29.3 67.19 Favored Glycine 0 C--N 1.344 0.989 0 CA-C-N 115.722 -0.672 . . . . 0.0 112.465 178.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -80.99 -28.62 35.48 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 122.709 0.404 . . . . 0.0 111.582 178.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 36.5 mtt -78.21 -34.93 49.08 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 116.252 -0.431 . . . . 0.0 112.138 179.695 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.464 ' HD2' ' O ' ' A' ' 33' ' ' LEU . 16.0 m-85 -77.0 -33.21 57.6 Favored 'General case' 0 N--CA 1.472 0.66 0 O-C-N 123.385 0.428 . . . . 0.0 112.028 179.737 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 69.8 p -86.57 -22.68 26.15 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.867 179.734 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 65.9 m80 63.01 104.47 0.03 OUTLIER 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 123.895 0.878 . . . . 0.0 111.811 -179.703 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -143.73 161.86 37.49 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.797 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -101.16 -40.77 7.02 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.574 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.92 -38.18 85.72 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 112.705 0.632 . . . . 0.0 112.705 -179.646 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 6.4 mp -69.87 -28.85 65.99 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 112.365 0.505 . . . . 0.0 112.365 -179.628 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -70.88 -37.26 73.04 Favored 'General case' 0 N--CA 1.472 0.659 0 O-C-N 123.262 0.351 . . . . 0.0 111.173 179.141 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 54.9 mt-30 -72.32 -37.62 68.87 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.561 178.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 16.3 t -69.12 -37.83 78.57 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.995 178.586 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 19.8 mt -70.72 -33.73 71.16 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.75 179.207 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -71.46 -41.11 69.81 Favored 'General case' 0 N--CA 1.474 0.759 0 O-C-N 123.414 0.447 . . . . 0.0 111.406 179.415 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -71.5 -37.84 62.18 Favored Glycine 0 C--N 1.344 1.02 0 CA-C-N 116.055 -0.52 . . . . 0.0 112.542 179.094 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.56 ' O ' HG22 ' A' ' 54' ' ' VAL . 41.6 mt-10 -71.05 -35.73 72.04 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 122.787 0.435 . . . . 0.0 111.022 179.261 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.8 tp -71.2 -35.01 71.39 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.853 179.167 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 54.0 mt-30 -73.22 -31.98 64.48 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.261 179.013 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 18.6 p -75.1 -35.9 61.72 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.397 179.055 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.56 HG22 ' O ' ' A' ' 50' ' ' GLU . 85.1 t -74.11 -34.42 38.3 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.31 179.138 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -74.23 -34.62 63.72 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.112 179.034 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -73.04 -34.39 66.28 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.96 178.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 18.5 p -73.48 -36.36 65.79 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.991 178.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.7 tt -69.98 -38.52 76.07 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.644 179.114 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 11.9 mm100 -69.66 -38.63 77.17 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.143 179.055 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -70.32 -29.41 66.12 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 115.8 -0.637 . . . . 0.0 111.29 178.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' MET . . . . . 0.534 ' O ' ' HB2' ' A' ' 65' ' ' LEU . 5.6 tmm? -73.4 -43.27 60.88 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.096 179.315 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 2.2 pp -75.09 -24.7 17.89 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.679 179.613 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.9 tp -82.3 -30.91 30.27 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.663 178.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 54.0 mt-30 -90.4 -15.73 30.43 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.294 179.265 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.534 ' HB2' ' O ' ' A' ' 61' ' ' MET . 2.3 tt . . . . . 0 N--CA 1.472 0.673 0 C-N-CA 122.81 0.444 . . . . 0.0 111.495 179.555 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 . . . . . 0 N--CA 1.468 0.452 0 CA-C-O 120.439 0.162 . . . . 0.0 111.046 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -76.87 -29.69 55.92 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.692 179.642 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 15.5 mt -84.67 -27.23 27.23 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.74 179.798 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -74.67 -39.56 61.95 Favored 'General case' 0 N--CA 1.473 0.686 0 O-C-N 123.256 0.347 . . . . 0.0 111.753 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -64.66 -39.53 93.84 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 122.804 0.442 . . . . 0.0 111.591 179.404 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.461 ' O ' HD22 ' A' ' 109' ' ' LEU . 97.1 mttt -78.16 -31.55 49.77 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.502 179.834 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -71.53 -40.1 70.3 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.551 179.191 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -75.86 -36.84 59.44 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.888 179.59 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 74.1 m -70.28 -41.74 73.0 Favored 'General case' 0 N--CA 1.473 0.69 0 O-C-N 123.228 0.33 . . . . 0.0 111.287 179.397 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.461 HD22 ' O ' ' A' ' 105' ' ' LYS . 4.3 mm? -72.31 -33.36 67.32 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.282 179.264 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -69.72 -35.3 74.91 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.881 178.473 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . 0.444 ' O ' ' HD2' ' A' ' 115' ' ' TYR . 66.0 mttm -73.83 -30.69 62.84 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.645 178.685 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.476 ' O ' HD13 ' A' ' 116' ' ' LEU . 38.5 mt-10 -71.43 -38.32 71.37 Favored 'General case' 0 N--CA 1.471 0.623 0 O-C-N 123.57 0.544 . . . . 0.0 111.172 178.711 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 15.6 mt -73.91 -33.22 36.22 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.109 178.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 -70.77 -36.35 73.02 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.147 178.704 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . 0.444 ' HD2' ' O ' ' A' ' 111' ' ' LYS . 4.0 m-85 -72.31 -36.04 68.79 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.7 178.875 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.476 HD13 ' O ' ' A' ' 112' ' ' GLU . 1.0 OUTLIER -67.31 -39.83 85.94 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.094 178.62 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 27.1 tttm -70.01 -37.19 75.58 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.99 179.608 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -68.97 -32.53 72.18 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.407 178.787 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 13.0 mt -72.78 -40.12 66.18 Favored 'General case' 0 N--CA 1.471 0.595 0 O-C-N 123.382 0.426 . . . . 0.0 111.525 179.43 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . 0.529 ' O ' HG11 ' A' ' 123' ' ' VAL . 11.5 mt -72.32 -33.31 45.61 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.215 178.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -73.04 -31.91 64.74 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.574 179.054 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -74.99 -37.2 61.92 Favored 'General case' 0 N--CA 1.471 0.586 0 O-C-N 123.4 0.437 . . . . 0.0 111.313 179.287 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . 0.529 HG11 ' O ' ' A' ' 120' ' ' ILE . 9.4 p -72.29 -36.35 55.29 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.907 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.636 179.047 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -71.16 -37.88 72.21 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.338 178.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -73.89 -30.23 62.5 Favored 'General case' 0 N--CA 1.471 0.625 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.778 179.379 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.5 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.771 179.516 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 4.3 m . . . . . 0 N--CA 1.472 0.67 0 N-CA-C 111.947 0.351 . . . . 0.0 111.947 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 52.5 m -89.88 -13.54 36.2 Favored 'General case' 0 CA--C 1.537 0.446 0 O-C-N 123.428 0.455 . . . . 0.0 112.022 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -96.5 -29.01 14.14 Favored 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 112.203 0.446 . . . . 0.0 112.203 -179.63 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -84.41 -22.02 30.58 Favored 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 112.124 0.416 . . . . 0.0 112.124 -179.696 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.4 m -71.72 -37.4 62.55 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 N-CA-C 112.673 0.62 . . . . 0.0 112.673 -179.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -59.35 -39.37 94.65 Favored Glycine 0 C--N 1.342 0.916 0 CA-C-N 116.24 -0.436 . . . . 0.0 113.829 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -76.68 -35.58 57.82 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 122.553 0.341 . . . . 0.0 111.489 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.462 ' HD3' ' SD ' ' A' ' 61' ' ' MET . 97.4 mttt -74.39 -34.16 63.23 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.038 179.303 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.548 ' O ' HG23 ' A' ' 21' ' ' ILE . 91.8 m -74.54 -36.21 63.14 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.729 178.852 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.557 ' O ' HG21 ' A' ' 23' ' ' VAL . 9.3 tt0 -70.33 -36.53 74.32 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.988 178.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.53 -38.61 68.0 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.519 179.275 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.548 HG23 ' O ' ' A' ' 18' ' ' CYS . 1.7 tp -72.31 -27.6 26.84 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.816 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.391 178.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -73.19 -43.64 38.51 Favored Glycine 0 C--N 1.348 1.219 0 CA-C-N 115.774 -0.648 . . . . 0.0 112.355 178.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.557 HG21 ' O ' ' A' ' 19' ' ' GLU . 2.8 m -71.06 -31.86 46.24 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 CA-C-O 120.63 0.252 . . . . 0.0 111.019 178.81 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 38.0 mttp -73.9 -35.13 64.63 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.929 178.436 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.464 ' O ' ' HB2' ' A' ' 29' ' ' GLU . 2.6 tt -70.01 -37.37 75.65 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 123.057 0.543 . . . . 0.0 111.096 179.231 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.4 mt -73.96 -36.87 64.63 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.467 179.386 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 8.5 t-80 -74.12 -35.85 64.17 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.893 179.202 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.439 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 2.6 tt -74.98 -30.55 61.21 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.809 179.199 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.523 ' O ' HD21 ' A' ' 33' ' ' LEU . 12.4 tt0 -73.97 -38.68 64.1 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.599 179.197 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -69.99 -38.9 76.13 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.812 178.776 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 53.6 mt-30 -74.07 -28.67 61.51 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.52 179.418 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.54 ' O ' ' HB2' ' A' ' 36' ' ' MET . 2.0 tt -75.43 -37.92 60.1 Favored 'General case' 0 N--CA 1.471 0.609 0 O-C-N 123.43 0.457 . . . . 0.0 111.079 179.537 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.523 HD21 ' O ' ' A' ' 29' ' ' GLU . 3.8 mm? -71.54 -39.19 70.87 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.812 179.078 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -71.79 -33.33 63.21 Favored Glycine 0 C--N 1.344 0.995 0 CA-C-N 115.682 -0.69 . . . . 0.0 112.438 178.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -81.22 -22.53 38.73 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 122.617 0.367 . . . . 0.0 111.699 178.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.54 ' HB2' ' O ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -79.79 -38.43 33.07 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.415 179.659 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.434 ' HD1' ' O ' ' A' ' 33' ' ' LEU . 33.7 m-85 -81.11 -35.35 31.74 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.962 179.49 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 14.6 t -86.53 -32.36 20.77 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.47 179.686 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 9.2 t-80 61.5 109.85 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 123.901 0.881 . . . . 0.0 111.822 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -143.02 165.38 27.54 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.387 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -93.1 -40.24 10.62 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.492 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.95 -40.23 87.46 Favored 'General case' 0 N--CA 1.473 0.675 0 N-CA-C 112.741 0.645 . . . . 0.0 112.741 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 22.0 mt -71.76 -30.02 65.12 Favored 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 112.271 0.471 . . . . 0.0 112.271 -179.563 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -70.86 -37.14 73.09 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 122.429 0.291 . . . . 0.0 111.473 179.609 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -72.76 -40.16 66.21 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.511 178.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 56.2 m -69.08 -37.89 78.7 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.24 178.648 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.459 ' O ' ' HB2' ' A' ' 51' ' ' LEU . 15.5 mt -70.97 -33.67 70.66 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.937 179.407 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -72.65 -39.64 67.0 Favored 'General case' 0 N--CA 1.472 0.674 0 O-C-N 123.382 0.426 . . . . 0.0 111.547 179.654 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -71.57 -37.31 62.11 Favored Glycine 0 C--N 1.343 0.965 0 CA-C-N 116.187 -0.461 . . . . 0.0 112.52 179.097 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.406 ' OE2' HD13 ' A' ' 28' ' ' LEU . 11.1 tt0 -73.04 -35.31 66.71 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 122.963 0.505 . . . . 0.0 110.96 179.174 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.56 ' O ' HG12 ' A' ' 54' ' ' VAL . 2.3 tt -71.17 -35.19 71.54 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.017 179.354 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -73.93 -35.0 64.54 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.098 179.006 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 19.2 p -73.16 -34.03 65.82 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.477 178.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.56 HG12 ' O ' ' A' ' 51' ' ' LEU . 6.9 p -75.37 -34.26 29.87 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.862 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.626 179.423 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 44.9 mttm -73.68 -32.93 64.21 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.024 178.698 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -72.75 -38.25 67.44 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.473 178.703 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 12.7 p -71.1 -35.94 71.99 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.184 178.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.5 tt -71.24 -36.27 71.75 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.624 179.248 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.44 ' O ' HG13 ' A' ' 62' ' ' ILE . 50.0 mt-30 -69.44 -37.33 77.33 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.962 178.771 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.73 -34.09 73.36 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.186 178.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' MET . . . . . 0.462 ' SD ' ' HD3' ' A' ' 17' ' ' LYS . 38.5 mmm -69.9 -41.01 75.26 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 115.815 -0.629 . . . . 0.0 111.602 179.072 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.44 HG13 ' O ' ' A' ' 59' ' ' GLN . 1.7 pp -75.62 -27.26 18.72 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 CA-C-N 116.297 -0.411 . . . . 0.0 112.092 179.628 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 23.4 mt -79.32 -30.73 42.91 Favored 'General case' 0 N--CA 1.471 0.625 0 O-C-N 123.343 0.402 . . . . 0.0 111.274 179.063 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 4.4 tp60 -83.79 -30.27 26.71 Favored 'General case' 0 CA--C 1.537 0.456 0 O-C-N 123.487 0.492 . . . . 0.0 111.119 179.213 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 16.4 mt . . . . . 0 C--O 1.238 0.469 0 CA-C-O 121.412 0.625 . . . . 0.0 110.304 179.664 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 . . . . . 0 N--CA 1.47 0.548 0 N-CA-C 111.697 0.258 . . . . 0.0 111.697 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -76.84 -29.88 56.09 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 112.248 0.462 . . . . 0.0 112.248 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 12.3 mt -83.85 -26.69 29.27 Favored 'General case' 0 N--CA 1.47 0.56 0 O-C-N 123.463 0.477 . . . . 0.0 111.961 -179.672 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -72.63 -37.93 67.89 Favored 'General case' 0 N--CA 1.473 0.706 0 N-CA-C 112.011 0.375 . . . . 0.0 112.011 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -64.61 -41.38 96.24 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 122.719 0.408 . . . . 0.0 111.603 179.533 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -74.94 -34.27 62.07 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 115.954 -0.567 . . . . 0.0 111.396 179.751 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -71.43 -37.81 71.41 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.707 179.331 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -75.67 -33.22 60.4 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.606 179.522 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 68.8 m -72.89 -38.96 66.77 Favored 'General case' 0 N--CA 1.471 0.595 0 O-C-N 123.293 0.371 . . . . 0.0 111.382 179.125 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 21.3 mt -75.82 -31.68 59.49 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.322 179.541 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . 0.517 ' O ' HG22 ' A' ' 113' ' ' ILE . . . -73.82 -36.83 64.99 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.347 179.227 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -74.71 -34.69 62.65 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.95 179.148 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.496 ' O ' ' HB2' ' A' ' 116' ' ' LEU . 40.2 mt-10 -73.91 -32.61 63.62 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.591 178.855 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . 0.517 HG22 ' O ' ' A' ' 110' ' ' ALA . 3.3 tp -77.27 -33.34 19.85 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.761 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.802 179.36 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -73.7 -36.93 65.3 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.884 178.721 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -72.76 -35.95 67.58 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.08 178.735 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.617 ' O ' HG12 ' A' ' 120' ' ' ILE . 0.2 OUTLIER -66.29 -40.23 89.89 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.657 178.828 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -66.06 -44.09 85.52 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.033 179.111 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . 0.443 ' O ' ' HB2' ' A' ' 122' ' ' GLU . 10.4 m-20 -68.9 -24.86 64.36 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.99 178.358 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.41 ' O ' HG23 ' A' ' 123' ' ' VAL . 1.2 tt -73.32 -38.9 65.64 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.11 179.288 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . 0.617 HG12 ' O ' ' A' ' 116' ' ' LEU . 26.6 mm -71.96 -37.82 62.23 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.11 179.065 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -72.7 -28.36 62.63 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.376 179.075 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . 0.443 ' HB2' ' O ' ' A' ' 118' ' ' ASP . 11.3 tt0 -75.93 -39.17 56.69 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.207 179.506 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . 0.41 HG23 ' O ' ' A' ' 119' ' ' LEU . 5.8 m -73.62 -33.37 38.61 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 O-C-N 123.247 0.342 . . . . 0.0 110.946 178.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 37.7 ttt180 -70.92 -38.99 72.94 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.835 178.678 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -74.09 -30.45 62.36 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.645 179.119 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.534 0 CA-C-N 116.202 -0.454 . . . . 0.0 112.131 179.806 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 4.3 m . . . . . 0 N--CA 1.473 0.691 0 N-CA-C 112.238 0.459 . . . . 0.0 112.238 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 13.9 t -101.91 -16.0 16.67 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.777 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -95.93 -30.73 13.47 Favored 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 112.182 0.438 . . . . 0.0 112.182 -179.52 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -83.32 -22.12 33.0 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 112.378 0.51 . . . . 0.0 112.378 -179.734 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.7 m -71.89 -38.83 66.19 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 N-CA-C 112.533 0.568 . . . . 0.0 112.533 -179.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -65.67 -41.47 95.9 Favored Glycine 0 C--N 1.341 0.832 0 O-C-N 123.472 0.483 . . . . 0.0 113.633 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -72.38 -39.43 68.01 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 122.516 0.326 . . . . 0.0 111.323 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.649 ' O ' HG12 ' A' ' 21' ' ' ILE . 96.9 mttt -70.19 -34.84 73.44 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.041 179.436 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.659 ' HG ' HH22 ' A' ' 124' ' ' ARG . 47.4 t -70.95 -36.71 72.69 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.714 178.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.548 ' O ' HG23 ' A' ' 23' ' ' VAL . 41.3 mt-10 -69.83 -31.81 69.88 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.796 178.59 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -71.81 -39.94 69.5 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.314 178.756 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.649 HG12 ' O ' ' A' ' 17' ' ' LYS . 36.4 mm -71.91 -27.58 27.92 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.932 178.62 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -71.73 -44.36 48.54 Favored Glycine 0 C--N 1.346 1.104 0 O-C-N 123.587 0.555 . . . . 0.0 112.554 178.74 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.548 HG23 ' O ' ' A' ' 19' ' ' GLU . 2.9 m -71.22 -33.0 49.24 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 CA-C-O 120.579 0.228 . . . . 0.0 111.332 179.085 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -73.73 -33.69 64.44 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.861 178.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.411 ' HB2' ' O ' ' A' ' 21' ' ' ILE . 4.9 tp -70.03 -39.8 75.54 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.937 179.042 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.7 mt -70.01 -40.27 75.33 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.211 179.188 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 6.4 t-80 -70.08 -32.52 70.63 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.609 178.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.477 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 4.7 tp -74.76 -29.46 61.14 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.636 178.865 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -72.13 -40.37 68.13 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.515 179.087 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -69.7 -38.08 76.82 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.722 178.616 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 -74.19 -25.21 59.56 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.951 178.701 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.477 ' HB2' ' O ' ' A' ' 28' ' ' LEU . 3.5 tt -74.16 -40.11 62.79 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.722 179.172 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.44 ' O ' ' HD1' ' A' ' 37' ' ' TYR . 4.9 tp -71.15 -39.18 72.1 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.416 179.034 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -72.05 -29.98 66.07 Favored Glycine 0 C--N 1.342 0.897 0 CA-C-N 115.674 -0.693 . . . . 0.0 112.978 179.043 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -81.26 -29.33 34.41 Favored 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 112.004 0.372 . . . . 0.0 112.004 179.581 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 37.6 mtt -80.58 -34.66 35.1 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.44 ' HD1' ' O ' ' A' ' 33' ' ' LEU . 25.4 m-85 -81.21 -38.79 26.43 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 111.96 0.356 . . . . 0.0 111.96 179.716 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 54.9 m -86.69 -8.67 57.22 Favored 'General case' 0 N--CA 1.469 0.516 0 O-C-N 123.398 0.436 . . . . 0.0 112.049 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 29.8 p80 46.37 102.63 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.596 0 C-N-CA 124.678 1.191 . . . . 0.0 113.247 -179.68 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -135.88 160.36 38.84 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.827 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -98.94 -39.92 8.33 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.592 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.84 -33.77 76.34 Favored 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 112.84 0.682 . . . . 0.0 112.84 -179.745 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.558 ' O ' ' HB2' ' A' ' 47' ' ' LEU . 4.8 mt -72.41 -28.5 63.02 Favored 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 -179.72 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -74.95 -36.71 62.1 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 122.401 0.28 . . . . 0.0 111.398 179.32 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 19.6 mm-40 -72.07 -40.92 67.93 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.593 179.228 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 16.1 t -69.15 -35.04 75.92 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.917 178.621 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.558 ' HB2' ' O ' ' A' ' 43' ' ' LEU . 0.2 OUTLIER -70.64 -34.38 72.0 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.389 179.135 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 53.2 mt-30 -71.77 -39.9 69.65 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.28 179.305 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -71.42 -37.8 62.53 Favored Glycine 0 C--N 1.343 0.954 0 CA-C-N 116.129 -0.487 . . . . 0.0 112.642 179.137 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.585 ' O ' HG22 ' A' ' 54' ' ' VAL . 42.3 mt-10 -71.32 -35.9 71.39 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 122.828 0.451 . . . . 0.0 111.071 179.214 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.6 tp -71.38 -35.06 70.95 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.929 179.185 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 11.7 mm100 -72.97 -32.56 65.28 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.196 178.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 18.5 p -73.98 -36.26 64.53 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.602 178.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.585 HG22 ' O ' ' A' ' 50' ' ' GLU . 78.3 t -73.5 -34.25 41.91 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.29 178.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -72.07 -36.66 69.63 Favored 'General case' 0 N--CA 1.471 0.625 0 O-C-N 123.389 0.43 . . . . 0.0 111.092 178.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -72.82 -32.76 65.74 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.141 178.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 16.5 p -73.71 -35.52 65.14 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.171 178.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 21.3 mt -71.2 -38.42 72.08 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.894 178.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.439 ' O ' HG13 ' A' ' 62' ' ' ILE . 47.2 mt-30 -69.49 -37.62 77.31 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.69 178.572 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.437 ' O ' ' HB2' ' A' ' 64' ' ' GLN . . . -69.89 -30.66 68.15 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.049 178.834 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' MET . . . . . 0.424 ' O ' HD11 ' A' ' 65' ' ' LEU . 82.8 mtp -71.64 -43.69 65.68 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.324 178.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.439 HG13 ' O ' ' A' ' 59' ' ' GLN . 1.4 pt -75.22 -22.88 16.87 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.687 179.427 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 2.8 tt -86.72 -25.39 24.76 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.18 179.157 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.437 ' HB2' ' O ' ' A' ' 60' ' ' ALA . 3.8 tp60 -89.4 -26.92 20.76 Favored 'General case' 0 CA--C 1.539 0.521 0 O-C-N 123.362 0.413 . . . . 0.0 111.47 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.424 HD11 ' O ' ' A' ' 61' ' ' MET . 6.7 mt . . . . . 0 N--CA 1.471 0.612 0 N-CA-C 111.905 0.335 . . . . 0.0 111.905 179.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 . . . . . 0 N--CA 1.469 0.485 0 N-CA-C 111.452 0.167 . . . . 0.0 111.452 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -76.77 -29.74 56.2 Favored 'General case' 0 N--CA 1.47 0.547 0 O-C-N 123.425 0.453 . . . . 0.0 111.973 179.66 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 11.1 mt -79.69 -26.64 40.86 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 116.001 -0.545 . . . . 0.0 112.018 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -70.86 -39.19 73.04 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 122.669 0.388 . . . . 0.0 111.979 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -64.68 -40.36 95.26 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 122.79 0.436 . . . . 0.0 111.728 179.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -77.23 -30.65 54.65 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.548 179.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -71.77 -39.22 70.1 Favored 'General case' 0 N--CA 1.47 0.562 0 O-C-N 123.474 0.484 . . . . 0.0 111.66 179.203 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -75.78 -37.63 59.03 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 115.855 -0.612 . . . . 0.0 111.606 179.468 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 68.0 m -70.54 -37.46 74.07 Favored 'General case' 0 N--CA 1.47 0.572 0 O-C-N 123.221 0.326 . . . . 0.0 111.288 179.313 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 4.7 tp -73.25 -36.78 66.45 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.878 179.313 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . 0.4 ' O ' ' HB2' ' A' ' 114' ' ' GLN . . . -71.3 -30.94 66.85 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.261 179.075 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 55.5 mttp -77.22 -32.22 55.75 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.794 178.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -73.45 -35.13 65.71 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.425 178.777 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 24.7 mt -77.95 -32.93 17.91 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 N-CA-C 109.776 -0.454 . . . . 0.0 109.776 178.535 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . 0.4 ' HB2' ' O ' ' A' ' 110' ' ' ALA . 14.7 tt0 -67.85 -37.87 82.41 Favored 'General case' 0 N--CA 1.469 0.512 0 O-C-N 123.453 0.471 . . . . 0.0 110.191 178.383 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 12.1 t80 -73.6 -35.83 65.42 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.936 178.488 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.601 ' O ' HG12 ' A' ' 120' ' ' ILE . 10.1 tp -67.24 -36.88 82.57 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.7 178.74 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 62.4 mttm -69.19 -43.35 74.34 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.714 178.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -68.68 -25.01 64.58 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.639 178.054 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.572 ' O ' HG23 ' A' ' 123' ' ' VAL . 2.3 tt -71.5 -42.79 67.57 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.563 179.011 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . 0.601 HG12 ' O ' ' A' ' 116' ' ' LEU . 26.2 mm -69.21 -34.41 63.01 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.182 178.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -72.49 -30.99 65.01 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.5 179.113 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -74.57 -37.47 62.94 Favored 'General case' 0 N--CA 1.471 0.611 0 O-C-N 123.346 0.404 . . . . 0.0 111.603 179.435 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . 0.572 HG23 ' O ' ' A' ' 119' ' ' LEU . 2.5 m -74.6 -33.13 31.22 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 O-C-N 123.261 0.351 . . . . 0.0 111.063 178.609 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . 0.659 HH22 ' HG ' ' A' ' 18' ' ' CYS . 97.7 mtt180 -70.8 -38.31 73.34 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.321 178.534 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -74.1 -38.01 63.99 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.898 179.769 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.521 0 CA-C-N 116.157 -0.474 . . . . 0.0 112.2 -179.84 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.413 ' O ' HG22 ' A' ' 14' ' ' VAL . 3.2 m . . . . . 0 N--CA 1.472 0.665 0 N-CA-C 111.382 0.141 . . . . 0.0 111.382 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 14.2 t -83.88 -15.88 46.46 Favored 'General case' 0 N--CA 1.469 0.489 0 O-C-N 123.542 0.526 . . . . 0.0 111.77 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -97.2 -17.44 19.87 Favored 'General case' 0 CA--C 1.533 0.311 0 O-C-N 123.318 0.386 . . . . 0.0 111.927 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -90.57 -25.7 20.07 Favored 'General case' 0 N--CA 1.47 0.555 0 O-C-N 123.232 0.332 . . . . 0.0 111.779 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.413 HG22 ' O ' ' A' ' 10' ' ' VAL . 2.5 m -77.26 -38.41 27.05 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 N-CA-C 112.216 0.45 . . . . 0.0 112.216 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -62.73 -34.92 91.07 Favored Glycine 0 C--N 1.342 0.907 0 O-C-N 123.556 0.535 . . . . 0.0 113.704 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -75.89 -33.88 59.95 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 122.534 0.334 . . . . 0.0 111.211 179.419 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -74.81 -33.96 62.29 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.789 178.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.485 ' O ' HG21 ' A' ' 21' ' ' ILE . 49.2 t -72.53 -39.14 67.77 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.793 178.905 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.555 ' O ' HG21 ' A' ' 23' ' ' VAL . 42.0 mt-10 -70.22 -36.6 74.65 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.718 179.105 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -71.98 -39.18 69.48 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.593 179.656 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.485 HG21 ' O ' ' A' ' 18' ' ' CYS . 4.0 tp -72.91 -27.5 24.99 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.802 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.293 178.757 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -70.01 -44.91 59.42 Favored Glycine 0 C--N 1.349 1.265 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.918 178.198 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.555 HG21 ' O ' ' A' ' 19' ' ' GLU . 2.6 m -71.26 -29.19 34.98 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 CA-C-O 120.691 0.282 . . . . 0.0 110.778 178.422 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.4 ' O ' ' HB2' ' A' ' 28' ' ' LEU . 40.4 tttt -74.37 -34.42 63.36 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.5 178.387 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 6.5 tp -70.08 -39.22 75.71 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.115 179.228 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.6 mt -71.76 -38.73 70.34 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.287 179.142 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 3.9 t60 -71.72 -33.9 69.13 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.736 179.15 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.506 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 2.7 tt -75.08 -30.22 60.87 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.71 179.028 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -71.01 -42.06 70.09 Favored 'General case' 0 N--CA 1.47 0.541 0 O-C-N 123.473 0.483 . . . . 0.0 110.59 179.251 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -68.94 -38.68 79.62 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.272 178.611 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 12.4 tt0 -74.4 -21.74 59.5 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.76 178.641 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.506 ' HB2' ' O ' ' A' ' 28' ' ' LEU . 3.9 tt -75.18 -42.83 55.0 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 122.944 0.498 . . . . 0.0 110.586 179.27 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 11.5 mt -71.84 -36.19 70.09 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.613 178.692 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -72.0 -31.76 64.04 Favored Glycine 0 C--N 1.345 1.057 0 CA-C-N 115.536 -0.757 . . . . 0.0 112.67 178.764 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -81.1 -27.67 35.51 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 122.521 0.328 . . . . 0.0 111.519 179.176 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 80.8 mtp -80.26 -30.33 38.43 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.712 179.558 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 10.6 t80 -78.68 -39.27 37.18 Favored 'General case' 0 N--CA 1.469 0.5 0 O-C-N 123.397 0.436 . . . . 0.0 111.463 179.656 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 74.8 p -86.73 -11.31 51.51 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 116.131 -0.486 . . . . 0.0 112.084 179.749 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 30.7 p80 46.94 102.84 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.478 0 C-N-CA 124.755 1.222 . . . . 0.0 113.116 -179.585 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -134.27 159.69 40.2 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.987 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -97.01 -37.62 10.1 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.493 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.79 -38.27 86.2 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.012 0.525 . . . . 0.0 112.413 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.456 ' O ' ' HB2' ' A' ' 47' ' ' LEU . 8.2 mt -70.68 -28.33 64.7 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 115.993 -0.549 . . . . 0.0 112.099 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.406 ' O ' ' HG3' ' A' ' 48' ' ' GLN . 10.4 t80 -72.62 -37.78 67.96 Favored 'General case' 0 N--CA 1.472 0.634 0 O-C-N 123.306 0.378 . . . . 0.0 111.085 179.507 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 54.8 mt-30 -71.51 -40.95 69.81 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.7 179.22 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 55.6 m -68.95 -34.62 75.65 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.89 178.596 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.456 ' HB2' ' O ' ' A' ' 43' ' ' LEU . 1.8 tt -70.74 -33.96 71.37 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.176 179.121 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.406 ' HG3' ' O ' ' A' ' 44' ' ' PHE . 54.0 mt-30 -71.3 -39.46 71.46 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.26 179.135 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -70.51 -35.98 68.44 Favored Glycine 0 C--N 1.345 1.03 0 CA-C-N 115.916 -0.584 . . . . 0.0 112.428 178.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.549 ' O ' HG21 ' A' ' 54' ' ' VAL . 43.8 mt-10 -72.09 -35.73 69.29 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 122.867 0.467 . . . . 0.0 110.929 179.039 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.2 tt -69.39 -36.33 76.67 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.668 179.017 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -71.32 -35.27 71.17 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.109 178.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 18.3 p -72.38 -32.01 66.06 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.469 178.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.549 HG21 ' O ' ' A' ' 50' ' ' GLU . 74.7 t -74.43 -34.48 36.28 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.209 178.676 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 81.0 mttt -71.42 -36.41 71.31 Favored 'General case' 0 N--CA 1.472 0.626 0 O-C-N 123.407 0.442 . . . . 0.0 111.103 178.574 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -72.66 -35.31 67.7 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.181 179.009 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 18.8 p -73.42 -31.98 64.15 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.078 178.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.6 mt -71.98 -39.97 68.93 Favored 'General case' 0 C--N 1.345 0.392 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.035 178.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -69.55 -37.89 77.24 Favored 'General case' 0 N--CA 1.472 0.627 0 O-C-N 123.556 0.535 . . . . 0.0 110.936 178.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.472 ' O ' ' HB2' ' A' ' 64' ' ' GLN . . . -70.11 -32.02 69.85 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.238 178.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' MET . . . . . 0.551 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 9.9 ttt -71.16 -43.45 67.49 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.229 179.481 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 2.2 pp -75.54 -24.65 17.25 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.846 0 O-C-N 123.346 0.404 . . . . 0.0 111.726 179.514 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.7 tp -84.48 -24.3 29.51 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.057 179.174 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.472 ' HB2' ' O ' ' A' ' 60' ' ' ALA . 5.1 tt0 -85.07 -36.07 21.44 Favored 'General case' 0 N--CA 1.468 0.459 0 O-C-N 123.405 0.441 . . . . 0.0 111.301 179.488 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.551 ' HG ' ' O ' ' A' ' 61' ' ' MET . 0.8 OUTLIER . . . . . 0 CA--C 1.536 0.44 0 CA-C-O 121.461 0.648 . . . . 0.0 110.723 179.803 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 . . . . . 0 N--CA 1.469 0.509 0 N-CA-C 111.755 0.28 . . . . 0.0 111.755 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -76.97 -31.0 56.25 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 112.128 0.418 . . . . 0.0 112.128 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 13.4 mt -86.32 -29.86 22.69 Favored 'General case' 0 N--CA 1.47 0.565 0 O-C-N 123.397 0.435 . . . . 0.0 111.734 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -72.98 -43.44 62.22 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 122.546 0.338 . . . . 0.0 111.541 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -64.83 -37.82 88.92 Favored 'General case' 0 N--CA 1.474 0.772 0 O-C-N 123.465 0.478 . . . . 0.0 111.526 179.246 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -74.29 -34.25 63.48 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.569 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -69.71 -37.89 76.72 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.647 179.372 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -75.72 -34.49 60.35 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.346 179.442 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' SER . . . . . 0.403 ' O ' ' HG3' ' A' ' 112' ' ' GLU . 70.6 m -70.63 -40.09 73.33 Favored 'General case' 0 N--CA 1.471 0.58 0 O-C-N 123.32 0.388 . . . . 0.0 111.187 179.07 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 23.8 mt -71.36 -37.49 71.64 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.135 179.278 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -69.59 -33.16 72.31 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.183 179.024 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . 0.434 ' O ' ' HB2' ' A' ' 115' ' ' TYR . 92.8 mttt -75.61 -29.86 59.38 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.881 178.829 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.403 ' HG3' ' O ' ' A' ' 108' ' ' SER . 41.3 mt-10 -73.49 -37.41 65.73 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.48 178.738 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 13.9 mt -74.66 -36.61 41.12 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.222 179.178 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 53.8 mt-30 -71.87 -32.97 68.0 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.933 178.765 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . 0.434 ' HB2' ' O ' ' A' ' 111' ' ' LYS . 9.0 t80 -72.78 -37.35 67.64 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.563 179.171 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.663 ' O ' HG12 ' A' ' 120' ' ' ILE . 16.1 mt -67.74 -38.79 83.98 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.751 178.548 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -66.44 -41.42 89.15 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.145 179.122 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . 0.419 ' O ' ' HB2' ' A' ' 122' ' ' GLU . 20.0 m-20 -68.97 -29.32 67.51 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.519 178.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 18.1 mt -74.36 -35.39 63.54 Favored 'General case' 0 N--CA 1.47 0.561 0 O-C-N 123.429 0.455 . . . . 0.0 111.775 179.126 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . 0.663 HG12 ' O ' ' A' ' 116' ' ' LEU . 32.3 mm -74.05 -37.5 47.14 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 O-C-N 123.211 0.319 . . . . 0.0 110.533 179.229 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -73.06 -33.54 65.71 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.517 179.117 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . 0.419 ' HB2' ' O ' ' A' ' 118' ' ' ASP . 3.0 tp10 -76.19 -33.65 59.31 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.421 179.81 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . 0.456 HG11 ' O ' ' A' ' 120' ' ' ILE . 9.9 p -77.79 -33.42 18.76 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.754 0 O-C-N 123.409 0.443 . . . . 0.0 110.437 178.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 35.8 ttt180 -71.17 -37.91 72.18 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.987 178.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -74.09 -41.46 61.65 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.853 179.616 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.477 0 CA-C-N 116.228 -0.442 . . . . 0.0 112.022 -179.95 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 4.0 m . . . . . 0 N--CA 1.473 0.693 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 53.4 m -92.36 -14.38 28.78 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.927 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -95.41 -24.59 16.63 Favored 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 -179.635 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -86.57 -22.08 26.48 Favored 'General case' 0 N--CA 1.471 0.581 0 N-CA-C 112.172 0.434 . . . . 0.0 112.172 -179.697 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.7 m -71.18 -39.82 73.9 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 N-CA-C 112.619 0.6 . . . . 0.0 112.619 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -64.68 -42.39 97.27 Favored Glycine 0 C--N 1.343 0.918 0 CA-C-N 116.192 -0.458 . . . . 0.0 113.645 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -73.11 -38.04 66.48 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 122.535 0.334 . . . . 0.0 111.471 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.637 ' O ' HG12 ' A' ' 21' ' ' ILE . 95.9 mttt -70.85 -35.47 72.42 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.223 179.352 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 66.0 m -71.28 -36.47 71.7 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.685 178.695 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.55 ' O ' HG21 ' A' ' 23' ' ' VAL . 41.1 mt-10 -69.89 -31.57 69.44 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.789 178.376 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.13 -39.74 68.58 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.397 178.775 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.637 HG12 ' O ' ' A' ' 17' ' ' LYS . 39.9 mm -72.29 -27.63 26.97 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.775 0 CA-C-N 116.166 -0.47 . . . . 0.0 109.898 178.619 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -71.59 -44.09 50.59 Favored Glycine 0 C--N 1.348 1.197 0 CA-C-N 115.967 -0.56 . . . . 0.0 112.305 178.788 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.55 HG21 ' O ' ' A' ' 19' ' ' GLU . 3.0 m -71.32 -33.18 49.45 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 CA-C-O 120.562 0.22 . . . . 0.0 111.276 179.043 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.427 ' O ' ' HB2' ' A' ' 28' ' ' LEU . 96.7 mttt -73.25 -33.75 65.47 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.928 178.789 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.429 ' O ' ' HG3' ' A' ' 29' ' ' GLU . 4.7 tp -70.13 -40.35 74.88 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.169 179.124 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.4 mt -69.31 -43.42 73.81 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.284 179.539 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.633 ' O ' ' HG2' ' A' ' 31' ' ' GLN . 17.3 m-70 -67.97 -31.95 72.03 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.057 178.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.466 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 4.8 tp -71.9 -34.49 69.17 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.559 178.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.429 ' HG3' ' O ' ' A' ' 25' ' ' LEU . 42.8 mt-10 -69.99 -36.17 74.95 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.901 178.794 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -68.05 -44.85 75.45 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.224 178.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.633 ' HG2' ' O ' ' A' ' 27' ' ' HIS . 8.5 pt20 -74.39 -21.56 59.59 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.462 179.063 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.466 ' HB2' ' O ' ' A' ' 28' ' ' LEU . 4.0 tt -72.68 -44.89 61.21 Favored 'General case' 0 N--CA 1.471 0.584 0 O-C-N 123.427 0.454 . . . . 0.0 110.68 179.079 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.3 mp -71.19 -35.72 71.67 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.597 178.678 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -72.08 -30.63 65.09 Favored Glycine 0 C--N 1.345 1.028 0 CA-C-N 115.73 -0.668 . . . . 0.0 112.889 178.592 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -81.25 -29.01 34.52 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 111.903 0.334 . . . . 0.0 111.903 179.539 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 47.0 mtt -80.8 -34.42 34.05 Favored 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 111.929 0.344 . . . . 0.0 111.929 179.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 8.9 t80 -81.21 -43.43 19.28 Favored 'General case' 0 N--CA 1.469 0.482 0 O-C-N 123.303 0.377 . . . . 0.0 111.646 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 53.2 m -86.78 -18.13 31.82 Favored 'General case' 0 N--CA 1.469 0.516 0 O-C-N 123.584 0.552 . . . . 0.0 112.307 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 72.1 m-70 62.29 108.98 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 123.762 0.825 . . . . 0.0 111.631 -179.623 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -139.99 157.11 46.19 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.048 -179.653 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -103.79 -40.19 6.35 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.446 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.86 -37.02 83.64 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 112.523 0.564 . . . . 0.0 112.523 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.451 ' O ' ' HB2' ' A' ' 47' ' ' LEU . 11.7 mt -70.9 -28.42 64.52 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 115.997 -0.547 . . . . 0.0 112.038 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -73.76 -37.36 65.05 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 122.646 0.378 . . . . 0.0 111.183 179.424 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 13.9 tt0 -71.13 -41.47 70.45 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.59 179.281 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 42.2 p -69.1 -34.47 75.15 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.105 178.706 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.451 ' HB2' ' O ' ' A' ' 43' ' ' LEU . 2.2 tt -70.77 -34.47 71.84 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.316 179.24 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 54.0 mt-30 -72.51 -39.88 67.27 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 116.059 -0.518 . . . . 0.0 111.648 179.516 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -71.61 -36.89 62.11 Favored Glycine 0 C--N 1.343 0.946 0 CA-C-N 116.096 -0.502 . . . . 0.0 112.789 179.296 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -73.45 -35.38 65.75 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 122.88 0.472 . . . . 0.0 111.342 179.403 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.549 ' O ' HG13 ' A' ' 54' ' ' VAL . 2.6 tt -72.23 -36.39 69.1 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.267 179.535 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -73.81 -35.21 64.85 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.115 179.191 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 18.1 p -73.44 -33.76 65.08 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.532 178.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.549 HG13 ' O ' ' A' ' 51' ' ' LEU . 6.9 p -74.96 -34.24 31.99 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.747 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.613 179.366 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 75.8 mttt -72.53 -35.63 68.12 Favored 'General case' 0 N--CA 1.47 0.542 0 O-C-N 123.466 0.479 . . . . 0.0 111.052 178.759 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -72.67 -34.82 67.48 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.082 178.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 16.3 p -72.64 -36.0 67.9 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.399 179.007 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 24.5 mt -71.95 -36.49 69.89 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.957 179.056 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.44 ' O ' ' HB2' ' A' ' 63' ' ' LEU . 46.5 mt-30 -69.47 -37.92 77.48 Favored 'General case' 0 N--CA 1.472 0.642 0 O-C-N 123.515 0.51 . . . . 0.0 110.826 178.558 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.511 ' O ' ' HG2' ' A' ' 64' ' ' GLN . . . -69.42 -33.47 73.03 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.926 178.847 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 24.8 mmm -67.93 -45.19 75.0 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.525 179.035 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 2.1 pp -75.75 -21.05 15.79 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.767 179.423 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.44 ' HB2' ' O ' ' A' ' 59' ' ' GLN . 2.5 tt -79.29 -34.11 42.73 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.374 179.398 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.511 ' HG2' ' O ' ' A' ' 60' ' ' ALA . 11.3 pt20 -85.29 -32.19 22.66 Favored 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 111.994 0.368 . . . . 0.0 111.994 179.77 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 16.2 mt . . . . . 0 N--CA 1.471 0.583 0 N-CA-C 112.002 0.371 . . . . 0.0 112.002 -179.932 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 . . . . . 0 N--CA 1.47 0.542 0 CA-C-O 120.486 0.184 . . . . 0.0 110.954 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -76.81 -29.54 56.01 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.602 179.578 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 13.6 mt -83.43 -26.57 30.25 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.788 179.789 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -71.12 -43.66 67.17 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.771 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -64.87 -39.68 93.92 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 122.947 0.499 . . . . 0.0 111.692 179.447 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 58.9 mttp -74.45 -31.02 62.11 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.662 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -71.55 -38.22 71.04 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.577 179.523 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -75.71 -35.9 60.15 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.433 179.321 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' SER . . . . . 0.459 ' O ' ' HG3' ' A' ' 112' ' ' GLU . 16.4 t -70.24 -42.07 72.69 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.134 179.294 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 20.9 mt -72.31 -33.63 67.51 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 115.932 -0.577 . . . . 0.0 111.12 179.4 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -69.67 -34.76 74.42 Favored 'General case' 0 N--CA 1.47 0.525 0 O-C-N 123.401 0.438 . . . . 0.0 110.845 178.542 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -74.79 -29.96 61.28 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.52 178.487 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.459 ' HG3' ' O ' ' A' ' 108' ' ' SER . 42.2 mt-10 -71.47 -38.26 71.25 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.381 178.727 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 12.1 mt -75.2 -34.11 30.35 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.189 179.077 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 54.0 mt-30 -73.96 -32.52 63.51 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.951 178.715 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -73.64 -36.22 65.39 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.783 178.649 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.657 ' O ' HG12 ' A' ' 120' ' ' ILE . 13.5 mt -68.8 -41.6 78.45 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.93 178.68 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -68.2 -37.2 80.67 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.184 179.22 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -68.97 -33.84 74.35 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.082 178.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.471 ' O ' HG23 ' A' ' 123' ' ' VAL . 15.2 mt -70.75 -38.15 73.48 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.517 179.416 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . 0.657 HG12 ' O ' ' A' ' 116' ' ' LEU . 31.1 mm -70.3 -36.29 66.54 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 O-C-N 123.32 0.387 . . . . 0.0 110.223 178.771 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -72.77 -29.34 63.22 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.552 179.177 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -75.94 -38.18 57.89 Favored 'General case' 0 N--CA 1.47 0.568 0 O-C-N 123.269 0.356 . . . . 0.0 111.575 179.433 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 119' ' ' LEU . 4.7 m -74.33 -33.42 33.92 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 O-C-N 123.246 0.341 . . . . 0.0 110.938 178.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 36.5 ttt180 -71.23 -39.86 71.41 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.824 178.668 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -74.21 -30.68 62.31 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 115.875 -0.602 . . . . 0.0 112.021 179.518 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.6 0 N-CA-C 112.179 0.436 . . . . 0.0 112.179 179.98 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 5.6 m . . . . . 0 N--CA 1.473 0.702 0 N-CA-C 112.281 0.474 . . . . 0.0 112.281 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 53.2 m -95.86 -30.9 13.41 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.686 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -91.15 -15.68 28.98 Favored 'General case' 0 N--CA 1.468 0.445 0 N-CA-C 112.248 0.462 . . . . 0.0 112.248 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -91.01 -22.32 20.84 Favored 'General case' 0 N--CA 1.468 0.432 0 O-C-N 123.279 0.362 . . . . 0.0 111.767 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.6 m -77.33 -39.67 28.36 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 N-CA-C 112.42 0.526 . . . . 0.0 112.42 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -66.07 -38.88 94.43 Favored Glycine 0 C--N 1.342 0.888 0 O-C-N 123.411 0.444 . . . . 0.0 113.681 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -73.21 -37.26 66.5 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 122.56 0.344 . . . . 0.0 111.517 179.765 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -71.55 -35.45 70.63 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.129 179.326 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 95.7 m -71.97 -36.4 69.8 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 178.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.449 ' O ' HG23 ' A' ' 23' ' ' VAL . 40.4 mt-10 -70.46 -33.25 71.07 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.76 178.774 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -73.13 -44.01 60.8 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 123.411 0.445 . . . . 0.0 111.792 179.744 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.6 mp -71.71 -27.21 27.41 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.709 0 CA-C-N 116.248 -0.433 . . . . 0.0 109.836 178.191 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -70.48 -43.98 59.8 Favored Glycine 0 C--N 1.347 1.179 0 CA-C-N 115.967 -0.56 . . . . 0.0 112.422 178.75 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 19' ' ' GLU . 4.4 m -71.15 -35.05 56.97 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 CA-C-O 120.838 0.351 . . . . 0.0 110.983 178.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 58.4 mttp -70.71 -33.6 71.03 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.864 178.542 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.433 ' O ' ' HG3' ' A' ' 29' ' ' GLU . 5.3 tp -69.47 -40.65 76.98 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.987 179.189 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 14.0 mt -68.24 -39.33 82.3 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.241 179.102 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 14.9 m-70 -70.63 -32.26 69.52 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.246 178.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.475 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 16.7 mt -74.84 -30.84 61.5 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.193 178.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.433 ' HG3' ' O ' ' A' ' 25' ' ' LEU . 42.7 mt-10 -70.77 -45.33 64.95 Favored 'General case' 0 N--CA 1.471 0.597 0 O-C-N 123.362 0.414 . . . . 0.0 110.786 179.106 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -66.98 -37.84 84.97 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.611 178.657 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 -74.36 -22.81 59.04 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.169 178.549 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.475 ' HB2' ' O ' ' A' ' 28' ' ' LEU . 3.6 tt -72.54 -45.94 56.91 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 122.87 0.468 . . . . 0.0 110.619 179.229 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.46 ' O ' ' HD2' ' A' ' 37' ' ' TYR . 5.1 mp -69.83 -37.67 76.29 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.485 178.582 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -70.35 -28.59 71.1 Favored Glycine 0 C--N 1.345 1.049 0 CA-C-N 115.651 -0.704 . . . . 0.0 112.771 178.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -81.09 -31.24 34.45 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 122.601 0.36 . . . . 0.0 111.753 179.264 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 47.8 mtt -78.15 -30.74 49.38 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 116.139 -0.482 . . . . 0.0 112.253 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.46 ' HD2' ' O ' ' A' ' 33' ' ' LEU . 12.9 m-85 -79.1 -40.78 30.23 Favored 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 112.014 0.376 . . . . 0.0 112.014 179.654 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 82.9 p -86.85 -19.83 28.38 Favored 'General case' 0 N--CA 1.47 0.57 0 O-C-N 123.334 0.396 . . . . 0.0 112.008 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 71.2 m-70 63.39 110.62 0.03 OUTLIER 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 123.958 0.903 . . . . 0.0 111.649 -179.593 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -138.13 169.5 17.68 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.937 -179.727 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -115.84 -40.3 3.36 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.424 179.759 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.83 -30.73 70.99 Favored 'General case' 0 N--CA 1.474 0.76 0 N-CA-C 112.755 0.65 . . . . 0.0 112.755 -179.767 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.439 ' O ' ' HB2' ' A' ' 47' ' ' LEU . 2.0 mt -69.15 -28.28 66.29 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 112.426 0.528 . . . . 0.0 112.426 -179.783 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 53.8 m-85 -74.04 -35.45 64.31 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 122.516 0.326 . . . . 0.0 111.355 179.177 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 55.4 mt-30 -71.94 -41.56 67.65 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.772 179.163 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 51.2 m -69.1 -34.1 74.56 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.818 178.541 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.439 ' HB2' ' O ' ' A' ' 43' ' ' LEU . 2.3 tt -70.74 -34.68 72.13 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.104 179.174 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 53.5 mt-30 -72.18 -38.51 69.07 Favored 'General case' 0 N--CA 1.473 0.712 0 O-C-N 123.568 0.542 . . . . 0.0 111.335 179.293 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -71.61 -36.07 62.41 Favored Glycine 0 C--N 1.344 0.998 0 CA-C-N 116.024 -0.535 . . . . 0.0 112.424 179.169 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -72.66 -35.57 67.75 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 122.907 0.483 . . . . 0.0 110.978 179.15 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.0 tp -71.66 -35.05 70.22 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.992 179.322 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 54.7 mt-30 -74.47 -32.93 62.75 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.973 179.062 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 18.3 p -73.05 -36.47 66.91 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.659 179.151 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 11.9 m -74.42 -34.19 35.49 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.846 178.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -69.49 -36.92 76.98 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.794 178.365 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -72.67 -34.37 67.16 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.162 178.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 14.3 p -73.36 -33.7 65.21 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.31 178.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 20.6 mt -72.99 -37.22 67.08 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.886 179.055 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.464 ' O ' HG13 ' A' ' 62' ' ' ILE . 13.7 tt0 -69.44 -38.6 77.9 Favored 'General case' 0 N--CA 1.47 0.566 0 O-C-N 123.536 0.523 . . . . 0.0 110.292 178.539 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.408 ' O ' ' HB2' ' A' ' 64' ' ' GLN . . . -69.95 -30.7 68.15 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.95 178.608 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 37.3 mmm -70.32 -43.44 70.31 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 115.822 -0.627 . . . . 0.0 111.529 178.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.464 HG13 ' O ' ' A' ' 59' ' ' GLN . 1.4 pt -75.56 -25.13 17.45 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 O-C-N 123.47 0.481 . . . . 0.0 112.073 179.507 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 2.6 tt -85.31 -24.94 27.47 Favored 'General case' 0 N--CA 1.469 0.51 0 O-C-N 123.435 0.46 . . . . 0.0 111.388 179.543 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.408 ' HB2' ' O ' ' A' ' 60' ' ' ALA . 5.1 tt0 -91.6 -27.43 18.16 Favored 'General case' 0 N--CA 1.468 0.448 0 O-C-N 123.176 0.298 . . . . 0.0 111.776 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 22.6 mt . . . . . 0 N--CA 1.469 0.507 0 N-CA-C 111.95 0.352 . . . . 0.0 111.95 -179.749 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 . . . . . 0 N--CA 1.469 0.524 0 N-CA-C 111.882 0.327 . . . . 0.0 111.882 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -77.0 -31.1 56.21 Favored 'General case' 0 N--CA 1.471 0.585 0 N-CA-C 112.32 0.489 . . . . 0.0 112.32 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 13.6 mt -86.33 -26.77 24.69 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.955 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -73.43 -38.32 65.58 Favored 'General case' 0 N--CA 1.472 0.649 0 O-C-N 123.381 0.426 . . . . 0.0 111.915 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -64.67 -40.2 95.01 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.692 179.528 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -78.23 -31.45 49.3 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.474 179.791 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -71.75 -41.02 68.94 Favored 'General case' 0 N--CA 1.47 0.551 0 O-C-N 123.276 0.36 . . . . 0.0 111.383 179.336 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -75.97 -35.33 59.69 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.847 179.582 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 16.5 t -70.2 -41.98 72.95 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 123.299 0.374 . . . . 0.0 111.126 179.457 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 3.7 mp -72.71 -34.92 67.45 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.33 179.464 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -69.3 -34.99 75.54 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.104 178.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -74.79 -31.74 61.82 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.81 178.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -73.29 -32.66 64.77 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.522 178.799 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 23.8 mt -78.82 -33.12 16.16 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 178.735 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 -70.38 -35.84 73.75 Favored 'General case' 0 N--CA 1.473 0.684 0 O-C-N 123.367 0.417 . . . . 0.0 110.614 178.548 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 12.4 t80 -75.43 -36.03 60.84 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.83 178.265 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.645 ' O ' HG12 ' A' ' 120' ' ' ILE . 13.1 tp -69.46 -42.23 75.19 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.57 178.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -69.32 -34.9 75.35 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.954 179.155 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -68.64 -34.37 75.61 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.68 178.604 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.598 ' O ' HG23 ' A' ' 123' ' ' VAL . 16.9 mt -69.65 -40.56 76.39 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.336 179.054 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . 0.645 HG12 ' O ' ' A' ' 116' ' ' LEU . 22.7 mm -67.4 -35.87 74.82 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 O-C-N 123.346 0.404 . . . . 0.0 110.317 178.846 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -72.56 -30.2 64.22 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.427 179.211 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -76.06 -33.85 59.59 Favored 'General case' 0 N--CA 1.471 0.596 0 O-C-N 123.445 0.465 . . . . 0.0 111.832 179.504 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . 0.598 HG23 ' O ' ' A' ' 119' ' ' LEU . 38.2 t -77.58 -33.9 19.79 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 178.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 74.7 mtp180 -71.09 -38.27 72.41 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.275 178.723 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -74.23 -38.82 63.42 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.883 179.444 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.497 0 CA-C-N 116.127 -0.488 . . . . 0.0 112.136 -179.914 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 3.1 m . . . . . 0 N--CA 1.472 0.63 0 CA-C-O 120.64 0.257 . . . . 0.0 111.153 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 71.4 m -85.76 -18.99 31.44 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.91 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -95.78 -16.83 21.64 Favored 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 112.149 0.425 . . . . 0.0 112.149 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -92.49 -22.34 19.63 Favored 'General case' 0 N--CA 1.469 0.516 0 O-C-N 123.266 0.354 . . . . 0.0 111.832 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.5 m -75.61 -39.46 39.82 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 N-CA-C 112.646 0.61 . . . . 0.0 112.646 -179.552 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -65.29 -40.35 96.54 Favored Glycine 0 C--N 1.342 0.887 0 CA-C-N 116.312 -0.404 . . . . 0.0 113.768 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -75.87 -35.53 59.85 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 122.425 0.29 . . . . 0.0 111.692 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -73.88 -34.54 64.49 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.194 179.35 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.427 ' HB3' ' NH2' ' A' ' 124' ' ' ARG . 78.8 m -74.38 -36.09 63.53 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.651 178.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.559 ' O ' HG23 ' A' ' 23' ' ' VAL . 9.2 tt0 -70.13 -35.5 74.12 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.163 178.861 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -73.03 -39.79 65.66 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.736 179.51 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.482 ' O ' ' HB2' ' A' ' 25' ' ' LEU . 1.2 mp -72.26 -27.43 26.59 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.66 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.062 178.36 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -71.99 -45.21 43.0 Favored Glycine 0 C--N 1.346 1.134 0 O-C-N 123.49 0.493 . . . . 0.0 112.584 178.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.559 HG23 ' O ' ' A' ' 19' ' ' GLU . 3.3 m -71.06 -35.28 58.35 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 CA-C-O 120.715 0.293 . . . . 0.0 111.305 179.355 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -71.49 -33.61 69.42 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.963 178.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.482 ' HB2' ' O ' ' A' ' 21' ' ' ILE . 2.6 tt -69.61 -39.99 76.89 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 179.23 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 13.7 mt -67.85 -39.82 83.77 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.087 178.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 14.5 m-70 -69.85 -33.1 71.83 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.4 178.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.445 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 23.9 mt -74.88 -29.53 61.04 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.239 178.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.432 ' HG3' ' O ' ' A' ' 25' ' ' LEU . 45.0 mt-10 -72.0 -42.29 66.61 Favored 'General case' 0 N--CA 1.473 0.682 0 O-C-N 123.414 0.446 . . . . 0.0 110.884 178.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -69.79 -37.12 76.2 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.91 178.724 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 53.9 mt-30 -74.31 -26.16 60.0 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.322 178.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.445 ' HB2' ' O ' ' A' ' 28' ' ' LEU . 4.5 tt -73.64 -42.99 60.69 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.63 179.328 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.46 ' O ' ' HD2' ' A' ' 37' ' ' TYR . 8.7 mt -70.07 -37.66 75.54 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.766 178.853 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -71.97 -30.05 66.15 Favored Glycine 0 C--N 1.343 0.949 0 CA-C-N 115.716 -0.674 . . . . 0.0 112.587 178.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -81.08 -26.56 36.17 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 122.661 0.384 . . . . 0.0 111.708 179.107 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 37.3 mtt -79.84 -37.13 35.66 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 112.141 0.423 . . . . 0.0 112.141 179.652 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.46 ' HD2' ' O ' ' A' ' 33' ' ' LEU . 35.2 m-85 -81.18 -39.22 25.82 Favored 'General case' 0 N--CA 1.471 0.598 0 O-C-N 123.272 0.357 . . . . 0.0 111.901 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 14.2 t -86.58 -23.08 25.91 Favored 'General case' 0 N--CA 1.47 0.536 0 O-C-N 123.442 0.463 . . . . 0.0 111.817 179.769 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 71.3 m-70 62.25 108.88 0.02 OUTLIER 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 123.96 0.904 . . . . 0.0 111.856 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -142.76 157.8 44.28 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.9 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -98.52 -39.42 8.74 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.591 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.69 -39.32 88.05 Favored 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 112.522 0.564 . . . . 0.0 112.522 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 6.5 mp -70.16 -28.74 65.57 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-N 116.013 -0.54 . . . . 0.0 112.083 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -70.79 -37.92 73.34 Favored 'General case' 0 N--CA 1.471 0.596 0 O-C-N 123.302 0.376 . . . . 0.0 110.802 179.326 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 -72.01 -36.58 69.77 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.536 178.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 53.3 m -69.22 -37.26 77.96 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.361 178.589 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 20.2 mt -70.87 -36.36 72.76 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.871 179.411 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 11.9 tt0 -71.94 -39.37 69.46 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.47 179.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -71.78 -39.04 60.46 Favored Glycine 0 C--N 1.343 0.937 0 CA-C-N 116.073 -0.512 . . . . 0.0 112.9 179.571 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -71.94 -35.67 69.67 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 122.767 0.427 . . . . 0.0 111.343 179.579 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.7 tt -72.35 -35.2 68.47 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.89 179.339 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 4.3 tp60 -74.85 -30.95 61.51 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.035 179.181 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 16.6 p -74.84 -36.64 62.38 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.578 179.082 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 12.0 m -74.54 -33.96 34.01 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 O-C-N 123.315 0.385 . . . . 0.0 110.821 178.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 33.6 tttm -71.3 -37.25 71.83 Favored 'General case' 0 C--N 1.347 0.491 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.699 178.714 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -72.87 -33.56 66.17 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.082 178.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 12.0 p -73.76 -33.44 64.29 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.276 178.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 6.8 tp -72.86 -38.38 67.07 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.534 179.181 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.493 ' O ' HG13 ' A' ' 62' ' ' ILE . 54.8 mt-30 -69.38 -37.67 77.67 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.602 178.565 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.441 ' O ' ' HB2' ' A' ' 64' ' ' GLN . . . -70.09 -31.49 69.09 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.028 178.612 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 65.8 mmm -70.52 -42.43 71.26 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.506 179.013 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.493 HG13 ' O ' ' A' ' 59' ' ' GLN . 1.2 pt -75.48 -25.05 17.52 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 O-C-N 123.461 0.476 . . . . 0.0 111.751 179.082 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.6 tp -85.13 -23.37 28.47 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.162 179.149 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.441 ' HB2' ' O ' ' A' ' 60' ' ' ALA . 6.2 tt0 -87.66 -33.11 18.9 Favored 'General case' 0 N--CA 1.469 0.512 0 O-C-N 123.41 0.444 . . . . 0.0 111.273 179.581 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 11.4 mt . . . . . 0 N--CA 1.47 0.531 0 O-C-N 123.425 0.453 . . . . 0.0 111.363 179.809 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 . . . . . 0 N--CA 1.466 0.356 0 CA-C-O 120.341 0.115 . . . . 0.0 110.954 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -76.81 -29.8 56.13 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 122.846 0.458 . . . . 0.0 112.016 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 25.3 mt -83.72 -26.77 29.48 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.83 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -74.88 -38.39 61.91 Favored 'General case' 0 N--CA 1.473 0.691 0 O-C-N 123.294 0.371 . . . . 0.0 111.758 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -64.56 -40.69 96.02 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 122.889 0.476 . . . . 0.0 111.758 179.61 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -77.03 -35.55 56.84 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.543 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -71.55 -38.93 70.95 Favored 'General case' 0 N--CA 1.47 0.555 0 O-C-N 123.473 0.483 . . . . 0.0 111.575 179.285 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -75.84 -32.84 59.97 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.749 179.414 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 44.7 p -71.28 -41.88 69.43 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.328 179.318 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 19.2 mt -73.25 -34.91 66.1 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.265 179.459 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -70.3 -34.78 73.14 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.244 179.107 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -75.53 -31.33 60.05 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.916 178.774 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -73.56 -33.48 64.7 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.491 178.773 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 27.7 mt -78.89 -33.13 15.99 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 O-C-N 123.289 0.368 . . . . 0.0 110.061 178.803 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 50.5 mt-30 -69.97 -36.05 74.91 Favored 'General case' 0 N--CA 1.471 0.596 0 O-C-N 123.369 0.418 . . . . 0.0 110.481 178.195 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -75.0 -35.86 61.98 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.992 178.592 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 11.6 tp -69.09 -35.89 76.98 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 115.43 -0.804 . . . . 0.0 110.654 178.754 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 92.3 mttt -72.5 -38.28 68.17 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.981 179.061 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -69.1 -31.77 70.73 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.217 178.277 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.562 ' O ' HG21 ' A' ' 123' ' ' VAL . 17.0 mt -71.11 -43.79 66.95 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.432 179.478 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 1.8 pp -69.54 -33.49 57.22 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.825 0 O-C-N 123.283 0.364 . . . . 0.0 111.164 179.15 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -72.98 -31.59 64.63 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.633 179.02 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -74.62 -37.13 62.9 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.699 179.592 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . 0.562 HG21 ' O ' ' A' ' 119' ' ' LEU . 2.8 m -74.55 -34.05 34.2 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 O-C-N 123.346 0.404 . . . . 0.0 111.146 178.572 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . 0.427 ' NH2' ' HB3' ' A' ' 18' ' ' CYS . 97.9 mtt180 -71.1 -38.22 72.38 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.358 178.622 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -74.29 -36.4 63.76 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.936 179.767 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.494 0 N-CA-C 112.284 0.475 . . . . 0.0 112.284 -179.914 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 4.8 m . . . . . 0 N--CA 1.474 0.731 0 N-CA-C 112.079 0.399 . . . . 0.0 112.079 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 53.1 m -92.88 -15.77 26.02 Favored 'General case' 0 N--CA 1.467 0.397 0 O-C-N 123.435 0.459 . . . . 0.0 112.022 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -96.69 -25.86 15.39 Favored 'General case' 0 N--CA 1.467 0.392 0 N-CA-C 112.214 0.45 . . . . 0.0 112.214 -179.63 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -87.24 -22.21 25.36 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 112.22 0.452 . . . . 0.0 112.22 -179.659 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.1 m -72.54 -39.5 61.78 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 N-CA-C 112.546 0.573 . . . . 0.0 112.546 -179.692 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -64.08 -40.37 98.06 Favored Glycine 0 C--N 1.342 0.869 0 O-C-N 123.543 0.527 . . . . 0.0 113.728 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -75.38 -34.68 61.12 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 122.459 0.304 . . . . 0.0 111.403 179.808 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -74.24 -33.91 63.48 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.977 179.018 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.545 ' O ' HG21 ' A' ' 21' ' ' ILE . 42.6 t -72.66 -38.51 67.61 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.839 178.822 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.562 ' O ' HG22 ' A' ' 23' ' ' VAL . 41.9 mt-10 -70.17 -37.2 75.11 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.645 179.25 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -73.43 -36.61 65.96 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.642 179.601 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.545 HG21 ' O ' ' A' ' 18' ' ' CYS . 1.4 tp -73.69 -27.51 23.13 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.797 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.283 178.906 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -73.4 -45.09 31.36 Favored Glycine 0 C--N 1.347 1.145 0 CA-C-N 115.724 -0.671 . . . . 0.0 112.399 178.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.562 HG22 ' O ' ' A' ' 19' ' ' GLU . 3.2 m -71.3 -32.18 46.2 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.925 0 CA-C-O 120.744 0.307 . . . . 0.0 111.051 178.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 47.4 tttt -73.11 -33.69 65.71 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.665 178.735 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.427 ' O ' ' HG3' ' A' ' 29' ' ' GLU . 6.7 tp -70.13 -40.56 74.77 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.029 178.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.8 mt -69.01 -39.66 79.17 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.269 179.303 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 10.6 t-80 -70.21 -31.78 69.37 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.745 178.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.45 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 2.7 tt -74.9 -30.64 61.35 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.94 179.118 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.427 ' HG3' ' O ' ' A' ' 25' ' ' LEU . 42.5 mt-10 -72.38 -41.67 66.08 Favored 'General case' 0 N--CA 1.473 0.678 0 O-C-N 123.516 0.51 . . . . 0.0 111.0 179.133 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -69.9 -37.24 75.92 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.937 178.67 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 12.9 tt0 -74.05 -27.19 60.8 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.965 179.136 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.45 ' HB2' ' O ' ' A' ' 28' ' ' LEU . 3.4 tt -74.7 -39.25 62.07 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.703 179.271 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.45 ' O ' ' HD1' ' A' ' 37' ' ' TYR . 4.7 tp -70.2 -39.94 74.88 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.607 179.139 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -72.09 -31.7 63.88 Favored Glycine 0 C--N 1.343 0.958 0 CA-C-N 115.669 -0.696 . . . . 0.0 113.007 179.078 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -81.24 -26.02 36.17 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 112.238 0.458 . . . . 0.0 112.238 179.635 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 16.8 mmt -82.92 -36.32 25.36 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 112.074 0.398 . . . . 0.0 112.074 -179.796 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.45 ' HD1' ' O ' ' A' ' 33' ' ' LEU . 29.7 m-85 -81.17 -35.39 31.5 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 112.087 0.403 . . . . 0.0 112.087 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 53.9 m -86.59 -27.23 24.01 Favored 'General case' 0 N--CA 1.469 0.48 0 O-C-N 123.373 0.42 . . . . 0.0 111.854 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 67.0 m80 61.53 110.14 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 123.854 0.862 . . . . 0.0 111.917 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -143.41 162.36 35.97 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.808 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -96.67 -41.24 8.6 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.677 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.81 -37.8 85.23 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 112.725 0.639 . . . . 0.0 112.725 -179.739 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.449 ' O ' ' HB2' ' A' ' 47' ' ' LEU . 6.4 mp -72.04 -28.54 63.42 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 112.363 0.505 . . . . 0.0 112.363 -179.639 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -73.46 -36.62 65.89 Favored 'General case' 0 N--CA 1.473 0.688 0 O-C-N 123.217 0.323 . . . . 0.0 111.411 179.426 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 54.4 mt-30 -72.64 -40.85 66.08 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.459 179.057 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 16.2 t -69.03 -35.79 77.02 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.802 178.612 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.449 ' HB2' ' O ' ' A' ' 43' ' ' LEU . 2.9 tt -70.76 -33.89 71.27 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.259 179.204 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.3 tp-100 -69.92 -43.58 71.38 Favored 'General case' 0 N--CA 1.472 0.66 0 O-C-N 123.443 0.465 . . . . 0.0 111.024 179.554 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -70.73 -37.77 66.83 Favored Glycine 0 C--N 1.343 0.942 0 CA-C-N 116.032 -0.531 . . . . 0.0 112.511 179.046 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.648 ' O ' HG21 ' A' ' 54' ' ' VAL . 39.5 mt-10 -71.13 -35.84 71.88 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 122.679 0.392 . . . . 0.0 111.203 179.321 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.406 ' HB2' ' O ' ' A' ' 47' ' ' LEU . 4.8 tp -70.81 -35.12 72.37 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.813 179.26 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 11.8 mm100 -72.5 -33.13 66.72 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.294 179.022 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 19.8 p -74.66 -35.5 62.83 Favored 'General case' 0 N--CA 1.473 0.688 0 O-C-N 123.389 0.43 . . . . 0.0 111.535 179.121 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.648 HG21 ' O ' ' A' ' 50' ' ' GLU . 71.7 t -74.11 -34.19 37.61 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.306 179.039 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 55.9 tttt -72.97 -37.22 67.14 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.929 179.287 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -73.05 -33.17 65.53 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.345 179.09 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.495 ' O ' ' HB2' ' A' ' 61' ' ' MET . 16.9 p -75.74 -33.22 60.24 Favored 'General case' 0 N--CA 1.472 0.647 0 O-C-N 123.501 0.501 . . . . 0.0 111.309 179.089 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -73.78 -37.01 65.11 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.522 179.03 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.454 ' O ' HG13 ' A' ' 62' ' ' ILE . 54.7 mt-30 -69.88 -41.35 74.88 Favored 'General case' 0 N--CA 1.471 0.583 0 O-C-N 123.557 0.536 . . . . 0.0 111.003 178.824 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -70.24 -30.32 67.35 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.295 178.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' MET . . . . . 0.566 ' O ' ' HB2' ' A' ' 65' ' ' LEU . 1.0 OUTLIER -73.6 -40.88 63.52 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.317 179.421 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.454 HG13 ' O ' ' A' ' 59' ' ' GLN . 2.2 pp -75.28 -27.1 19.19 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.564 179.781 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 2.9 tt -81.7 -29.78 32.85 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.706 178.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -90.94 -15.16 30.23 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.239 179.236 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.566 ' HB2' ' O ' ' A' ' 61' ' ' MET . 1.8 tt . . . . . 0 N--CA 1.473 0.68 0 C-N-CA 122.74 0.416 . . . . 0.0 111.672 179.651 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 . . . . . 0 N--CA 1.47 0.548 0 N-CA-C 112.269 0.47 . . . . 0.0 112.269 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -67.98 -39.45 83.3 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 112.753 0.649 . . . . 0.0 112.753 -179.434 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -86.59 -27.58 23.81 Favored 'General case' 0 N--CA 1.471 0.618 0 O-C-N 123.361 0.413 . . . . 0.0 112.091 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -74.52 -41.0 61.4 Favored 'General case' 0 N--CA 1.471 0.617 0 O-C-N 123.247 0.342 . . . . 0.0 111.884 -179.799 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -64.67 -37.55 87.98 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.642 179.49 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 66.2 mttm -76.23 -36.74 58.4 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.596 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -71.43 -37.43 71.45 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.596 179.375 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -75.81 -33.67 60.13 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.627 179.277 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 57.7 m -71.63 -38.4 70.76 Favored 'General case' 0 N--CA 1.471 0.586 0 O-C-N 123.262 0.351 . . . . 0.0 111.366 179.248 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 21.9 mt -73.2 -37.91 66.3 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.226 179.22 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -69.64 -33.88 73.24 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.346 179.307 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . 0.481 ' O ' ' HD1' ' A' ' 115' ' ' TYR . 92.8 mttt -75.27 -32.93 61.19 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.006 178.831 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.514 ' O ' ' HB2' ' A' ' 116' ' ' LEU . 41.9 mt-10 -73.35 -32.13 64.36 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.466 178.873 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 28.4 mt -78.42 -32.97 16.9 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 O-C-N 123.366 0.417 . . . . 0.0 109.911 178.483 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -67.39 -41.02 85.66 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.277 178.449 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . 0.481 ' HD1' ' O ' ' A' ' 111' ' ' LYS . 13.5 m-85 -72.24 -35.41 68.8 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.189 178.115 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.514 ' HB2' ' O ' ' A' ' 112' ' ' GLU . 2.7 tp -66.34 -37.51 85.5 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 115.186 -0.915 . . . . 0.0 111.04 178.841 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . 0.517 ' O ' HG13 ' A' ' 120' ' ' ILE . 93.8 mttt -72.24 -38.84 68.83 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.027 179.427 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -68.88 -31.16 69.9 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.314 178.487 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.586 ' O ' HG22 ' A' ' 123' ' ' VAL . 13.1 mt -71.71 -43.76 65.34 Favored 'General case' 0 C--O 1.238 0.485 0 O-C-N 123.342 0.401 . . . . 0.0 111.42 179.545 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . 0.517 HG13 ' O ' ' A' ' 117' ' ' LYS . 1.1 pt -70.07 -32.95 53.03 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.359 178.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -72.86 -31.38 64.69 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.566 178.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -73.7 -39.3 64.45 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.635 179.421 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . 0.586 HG22 ' O ' ' A' ' 119' ' ' LEU . 2.3 m -73.63 -33.05 37.66 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 O-C-N 123.299 0.374 . . . . 0.0 111.233 178.626 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . 0.526 ' HD2' ' SG ' ' A' ' 18' ' ' CYS . 71.4 mtp180 -70.65 -37.85 73.78 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.195 178.461 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -74.22 -34.21 63.61 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.619 179.256 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.465 0 CA-C-N 116.074 -0.512 . . . . 0.0 112.266 -179.977 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 3.2 m . . . . . 0 N--CA 1.47 0.563 0 CA-C-O 120.557 0.217 . . . . 0.0 111.405 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 67.5 m -82.62 -15.52 51.83 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 115.892 -0.595 . . . . 0.0 112.028 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -96.69 -16.13 21.09 Favored 'General case' 0 N--CA 1.466 0.355 0 O-C-N 123.351 0.407 . . . . 0.0 111.988 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -90.37 -22.27 21.57 Favored 'General case' 0 N--CA 1.471 0.598 0 O-C-N 123.334 0.397 . . . . 0.0 111.766 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.3 m -77.16 -37.65 26.3 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 N-CA-C 112.332 0.493 . . . . 0.0 112.332 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -58.92 -35.23 82.13 Favored Glycine 0 C--N 1.342 0.893 0 O-C-N 123.489 0.493 . . . . 0.0 113.694 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -76.87 -32.02 57.2 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 122.504 0.322 . . . . 0.0 111.218 179.46 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 58.7 mttp -75.61 -34.15 60.57 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.776 179.12 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.497 ' O ' HG22 ' A' ' 21' ' ' ILE . 79.0 m -73.22 -39.81 65.21 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 115.833 -0.622 . . . . 0.0 110.754 178.819 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.55 ' O ' HG23 ' A' ' 23' ' ' VAL . 42.0 mt-10 -70.34 -35.02 73.34 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.379 179.091 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.93 -38.51 66.79 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.698 179.612 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.497 HG22 ' O ' ' A' ' 18' ' ' CYS . 3.7 tp -73.41 -27.5 23.78 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.804 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.339 178.828 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.21 -43.93 45.59 Favored Glycine 0 C--N 1.348 1.204 0 CA-C-N 115.855 -0.611 . . . . 0.0 112.321 178.54 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.55 HG23 ' O ' ' A' ' 19' ' ' GLU . 3.1 m -70.55 -36.08 64.32 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.866 0 CA-C-O 120.72 0.295 . . . . 0.0 111.077 178.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -70.15 -33.46 71.81 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.828 178.667 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.472 ' HB2' ' O ' ' A' ' 21' ' ' ILE . 2.9 tt -69.59 -39.69 77.15 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.853 179.22 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 14.2 mt -69.14 -37.94 78.55 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.391 179.123 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 22.3 m80 -71.75 -32.75 68.03 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.248 178.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.473 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 20.3 mt -74.97 -30.94 61.33 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.21 178.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -72.56 -40.78 66.4 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.873 179.154 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -69.74 -38.13 76.74 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.591 178.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -74.47 -25.43 59.39 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.401 178.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.473 ' HB2' ' O ' ' A' ' 28' ' ' LEU . 4.6 tt -73.24 -44.32 59.69 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.771 179.388 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 6.7 mt -71.71 -35.35 70.19 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.71 178.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -72.23 -29.98 65.69 Favored Glycine 0 C--N 1.345 1.035 0 CA-C-N 115.623 -0.717 . . . . 0.0 112.819 178.574 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -81.05 -31.18 34.61 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 122.585 0.354 . . . . 0.0 111.787 179.47 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 51.3 mtt -79.47 -32.52 42.62 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.913 179.695 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 9.0 t80 -81.21 -39.78 24.88 Favored 'General case' 0 N--CA 1.468 0.469 0 O-C-N 123.406 0.442 . . . . 0.0 111.445 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 14.7 t -86.62 -26.62 24.31 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.748 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 74.9 m-70 62.98 107.93 0.03 OUTLIER 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 123.846 0.858 . . . . 0.0 111.775 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -143.54 164.83 29.28 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.736 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -102.66 -41.91 6.08 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.624 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.99 -37.72 84.73 Favored 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 112.814 0.672 . . . . 0.0 112.814 -179.726 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.491 ' O ' ' HB2' ' A' ' 47' ' ' LEU . 6.3 mp -70.52 -28.79 65.21 Favored 'General case' 0 N--CA 1.472 0.657 0 N-CA-C 112.443 0.534 . . . . 0.0 112.443 -179.509 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -75.71 -34.5 60.38 Favored 'General case' 0 N--CA 1.472 0.636 0 O-C-N 123.266 0.353 . . . . 0.0 111.491 179.494 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -72.2 -42.43 65.82 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.647 179.209 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 51.5 m -69.15 -35.04 75.92 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.131 178.662 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.491 ' HB2' ' O ' ' A' ' 43' ' ' LEU . 4.7 tp -70.84 -33.95 71.18 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.604 179.208 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -73.18 -39.45 65.59 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.576 179.465 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -71.53 -37.77 62.09 Favored Glycine 0 C--N 1.342 0.892 0 O-C-N 123.506 0.504 . . . . 0.0 112.594 179.16 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -72.36 -35.51 68.52 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 122.818 0.447 . . . . 0.0 111.151 179.316 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.409 ' HB2' ' O ' ' A' ' 47' ' ' LEU . 2.6 tt -71.67 -35.0 70.19 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.153 179.298 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -74.24 -33.37 63.3 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.085 179.12 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 19.8 p -73.03 -36.85 67.03 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.667 179.23 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 15.0 m -74.96 -33.89 30.98 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.76 178.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 55.7 tttt -70.02 -35.98 74.74 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.751 178.699 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -72.77 -37.27 67.69 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.886 178.658 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 13.1 p -70.82 -34.58 71.85 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.117 178.784 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.578 ' O ' HG12 ' A' ' 62' ' ' ILE . 0.8 OUTLIER -71.02 -40.36 71.82 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.759 179.35 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 54.8 mt-30 -67.23 -35.68 80.07 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.481 178.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.482 ' O ' ' HB2' ' A' ' 64' ' ' GLN . . . -70.05 -31.17 68.67 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.87 178.224 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' MET . . . . . 0.525 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 13.9 ttt -68.87 -44.71 72.73 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.209 179.115 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.578 HG12 ' O ' ' A' ' 58' ' ' LEU . 1.9 mm -75.28 -25.11 17.83 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.939 0 O-C-N 123.284 0.365 . . . . 0.0 110.69 179.413 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.7 tp -83.74 -21.18 32.33 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.09 179.436 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.482 ' HB2' ' O ' ' A' ' 60' ' ' ALA . 11.5 tt0 -87.41 -36.98 17.44 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.183 179.547 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.525 ' HG ' ' O ' ' A' ' 61' ' ' MET . 0.8 OUTLIER . . . . . 0 C--O 1.238 0.485 0 CA-C-O 121.589 0.709 . . . . 0.0 110.641 179.674 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 . . . . . 0 N--CA 1.47 0.537 0 CA-C-O 120.451 0.167 . . . . 0.0 111.115 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -76.65 -29.73 56.54 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.744 179.525 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 15.2 mt -84.23 -26.62 28.55 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.724 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -71.96 -39.37 69.41 Favored 'General case' 0 N--CA 1.473 0.714 0 O-C-N 123.278 0.361 . . . . 0.0 111.852 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -64.69 -39.71 94.13 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 122.848 0.459 . . . . 0.0 111.691 179.657 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -76.72 -33.19 58.18 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.675 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -71.47 -40.27 70.38 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 123.432 0.457 . . . . 0.0 111.583 179.483 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -75.97 -33.72 59.78 Favored 'General case' 0 N--CA 1.469 0.476 0 O-C-N 123.651 0.594 . . . . 0.0 111.672 179.394 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 50.5 p -71.02 -41.54 70.72 Favored 'General case' 0 N--CA 1.47 0.535 0 O-C-N 123.28 0.363 . . . . 0.0 111.291 179.404 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 22.7 mt -73.55 -35.11 65.45 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.28 179.446 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -69.31 -35.94 76.48 Favored 'General case' 0 N--CA 1.471 0.593 0 O-C-N 123.393 0.433 . . . . 0.0 111.257 179.196 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -74.98 -32.19 61.63 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.868 178.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.471 ' O ' ' HB2' ' A' ' 116' ' ' LEU . 40.3 mt-10 -73.58 -31.31 63.54 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.686 178.876 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 28.5 mt -80.06 -33.31 14.37 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 O-C-N 123.288 0.368 . . . . 0.0 110.068 178.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -69.71 -36.08 75.59 Favored 'General case' 0 N--CA 1.473 0.68 0 O-C-N 123.263 0.352 . . . . 0.0 110.241 178.158 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 12.6 t80 -75.26 -35.75 61.32 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-N 115.472 -0.785 . . . . 0.0 109.877 178.134 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.471 ' HB2' ' O ' ' A' ' 112' ' ' GLU . 5.1 tp -68.51 -38.93 81.36 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.946 178.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . 0.464 ' O ' HG13 ' A' ' 120' ' ' ILE . 94.7 mttt -71.9 -37.03 70.18 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.883 179.11 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . 0.499 ' O ' ' HB2' ' A' ' 122' ' ' GLU . 3.3 t70 -69.47 -31.14 69.23 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.982 178.331 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.597 ' O ' HG21 ' A' ' 123' ' ' VAL . 15.7 mt -71.34 -43.44 67.0 Favored 'General case' 0 C--N 1.347 0.489 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.36 179.439 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . 0.464 HG13 ' O ' ' A' ' 117' ' ' LYS . 1.4 pp -70.1 -36.24 67.3 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 O-C-N 123.371 0.42 . . . . 0.0 111.326 178.886 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -73.1 -27.08 61.5 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.035 178.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . 0.499 ' HB2' ' O ' ' A' ' 118' ' ' ASP . 10.7 tt0 -75.87 -39.3 56.77 Favored 'General case' 0 C--N 1.346 0.431 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.378 179.537 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . 0.597 HG21 ' O ' ' A' ' 119' ' ' LEU . 1.1 m -73.33 -33.3 40.41 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 O-C-N 123.309 0.381 . . . . 0.0 110.984 178.519 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 78.9 mtp180 -70.39 -40.09 74.15 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.872 178.475 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -74.52 -33.35 62.75 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.692 178.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.523 0 CA-C-N 116.02 -0.536 . . . . 0.0 112.248 -179.956 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.217 0 CA-C-O 119.141 -0.81 . . . . 0.0 112.704 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 6.5 Cg_exo -75.31 138.18 21.97 Favored 'Trans proline' 0 C--N 1.373 1.859 0 C-N-CA 122.854 2.369 . . . . 0.0 112.752 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 12.6 t-105 -99.73 -37.76 8.97 Favored 'General case' 0 CA--C 1.534 0.341 0 O-C-N 123.714 0.634 . . . . 0.0 111.018 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -94.85 153.44 17.71 Favored 'General case' 0 N--CA 1.467 0.397 0 O-C-N 123.546 0.528 . . . . 0.0 111.054 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -93.03 -36.14 12.88 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.615 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -94.89 114.25 26.08 Favored 'General case' 0 C--O 1.237 0.426 0 O-C-N 123.382 0.426 . . . . 0.0 111.048 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 53.3 m -138.61 -43.59 0.49 Allowed 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.022 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 68.2 m-70 -109.09 -33.01 7.01 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.491 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.1 pp -89.18 83.83 2.25 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.548 0 CA-C-O 121.262 0.553 . . . . 0.0 111.31 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 3.3 m -145.9 -34.8 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 CA-C-N 115.153 -0.931 . . . . 0.0 111.237 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 71.0 m -83.22 -23.44 32.79 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.79 179.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -95.81 -13.96 23.64 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.634 179.6 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -91.41 -22.18 20.59 Favored 'General case' 0 N--CA 1.47 0.549 0 O-C-N 123.478 0.486 . . . . 0.0 111.664 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 1.8 m -71.83 -37.41 61.75 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 N-CA-C 112.54 0.57 . . . . 0.0 112.54 -179.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -59.75 -43.27 98.0 Favored Glycine 0 C--N 1.343 0.965 0 O-C-N 123.427 0.454 . . . . 0.0 113.447 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -71.87 -35.53 69.83 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 122.606 0.362 . . . . 0.0 111.095 179.309 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.65 ' O ' HG12 ' A' ' 21' ' ' ILE . 66.1 mttm -70.26 -36.96 74.79 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.928 179.157 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 90.8 m -69.64 -36.67 76.32 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.743 178.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -69.36 -32.37 71.4 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.644 178.503 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.435 ' O ' HG11 ' A' ' 23' ' ' VAL . . . -71.7 -38.16 70.58 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.315 178.814 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.65 HG12 ' O ' ' A' ' 17' ' ' LYS . 34.4 mm -73.12 -27.6 24.65 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 CA-C-N 116.143 -0.48 . . . . 0.0 109.904 178.59 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.04 -42.25 52.22 Favored Glycine 0 C--N 1.347 1.173 0 O-C-N 123.594 0.559 . . . . 0.0 112.298 178.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.435 HG11 ' O ' ' A' ' 20' ' ' ALA . 7.8 p -71.14 -34.91 56.47 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.873 0 C-N-CA 122.4 0.28 . . . . 0.0 110.391 178.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -72.33 -33.43 67.33 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.918 178.656 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.456 ' HB2' ' O ' ' A' ' 21' ' ' ILE . 2.5 tt -69.68 -39.19 77.12 Favored 'General case' 0 C--N 1.348 0.51 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.053 179.078 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 13.3 mt -69.66 -40.72 76.28 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.122 179.074 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 22.1 m80 -70.63 -31.44 68.39 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.997 178.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.47 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 5.2 tp -74.33 -31.42 62.44 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.935 179.092 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.427 ' HG3' ' O ' ' A' ' 25' ' ' LEU . 44.1 mt-10 -72.77 -40.07 66.27 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.893 179.01 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -69.52 -38.21 77.45 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.513 178.659 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -74.34 -25.63 59.65 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.103 178.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.47 ' HB2' ' O ' ' A' ' 28' ' ' LEU . 3.5 tt -73.53 -40.83 63.71 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.636 179.16 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.414 ' O ' ' HD1' ' A' ' 37' ' ' TYR . 4.7 tp -70.96 -39.14 72.73 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.55 178.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -72.09 -29.43 66.74 Favored Glycine 0 C--N 1.342 0.888 0 CA-C-N 115.697 -0.683 . . . . 0.0 113.078 179.04 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -81.31 -30.79 33.8 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 112.112 0.412 . . . . 0.0 112.112 179.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 43.2 mtt -80.91 -34.06 33.71 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 112.258 0.466 . . . . 0.0 112.258 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.414 ' HD1' ' O ' ' A' ' 33' ' ' LEU . 23.1 m-85 -81.16 -39.27 25.79 Favored 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 111.933 0.345 . . . . 0.0 111.933 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 54.4 m -86.74 -22.95 25.67 Favored 'General case' 0 N--CA 1.47 0.53 0 O-C-N 123.4 0.438 . . . . 0.0 111.947 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 3.9 t60 61.78 110.46 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 123.968 0.907 . . . . 0.0 111.512 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -141.69 163.73 32.12 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.887 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -104.07 -42.66 5.48 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.36 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.91 -37.41 84.31 Favored 'General case' 0 N--CA 1.473 0.716 0 N-CA-C 112.792 0.664 . . . . 0.0 112.792 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.471 ' O ' ' HB2' ' A' ' 47' ' ' LEU . 10.6 mt -71.47 -28.74 64.15 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 116.106 -0.497 . . . . 0.0 112.283 -179.42 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -75.65 -34.49 60.52 Favored 'General case' 0 N--CA 1.472 0.664 0 O-C-N 123.324 0.39 . . . . 0.0 111.422 179.412 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 54.9 mt-30 -72.13 -42.32 66.16 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.607 179.04 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 52.0 m -69.15 -33.92 74.19 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.053 178.448 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.471 ' HB2' ' O ' ' A' ' 43' ' ' LEU . 4.3 tp -70.49 -35.62 73.36 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.429 179.232 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 54.1 mt-30 -72.49 -39.86 67.35 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.5 179.596 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -71.58 -38.59 61.56 Favored Glycine 0 C--N 1.344 0.981 0 CA-C-N 116.046 -0.524 . . . . 0.0 112.553 179.39 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.567 ' O ' HG22 ' A' ' 54' ' ' VAL . 42.1 mt-10 -71.52 -35.91 70.86 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 122.758 0.423 . . . . 0.0 111.155 179.398 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.6 tt -71.36 -35.09 71.0 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.887 179.316 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 -73.6 -31.96 63.84 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.243 179.115 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 19.4 p -75.11 -35.37 61.73 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.633 179.149 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.567 HG22 ' O ' ' A' ' 50' ' ' GLU . 95.1 t -75.26 -33.83 29.3 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.246 178.875 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 14.0 ttpt -72.39 -37.1 68.8 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.07 179.185 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -72.91 -36.79 67.35 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.136 179.073 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 18.0 p -73.24 -31.56 64.19 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.168 179.061 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.7 tp -74.01 -37.28 64.43 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.574 179.202 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.511 ' O ' HG13 ' A' ' 62' ' ' ILE . 47.1 mt-30 -69.42 -37.88 77.62 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.739 178.646 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.63 -34.48 74.11 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.745 178.508 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.476 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 68.7 mmm -66.09 -43.96 85.76 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.35 178.845 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.511 HG13 ' O ' ' A' ' 59' ' ' GLN . 1.4 pt -75.11 -23.75 17.4 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 O-C-N 123.576 0.548 . . . . 0.0 111.508 179.416 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.434 HD22 ' O ' ' A' ' 63' ' ' LEU . 2.7 tt -84.58 -19.66 32.72 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.867 178.807 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -87.96 -38.92 15.14 Favored 'General case' 0 N--CA 1.468 0.459 0 O-C-N 123.435 0.459 . . . . 0.0 112.167 179.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.476 ' HG ' ' O ' ' A' ' 61' ' ' MET . 3.1 pp -87.7 -38.68 15.62 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 112.108 0.41 . . . . 0.0 112.108 -179.849 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.441 ' N ' HD12 ' A' ' 65' ' ' LEU . 4.6 mt-30 -99.83 115.64 65.4 Favored Pre-proline 0 CA--C 1.54 0.569 0 O-C-N 123.34 0.4 . . . . 0.0 110.823 179.646 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_exo -62.4 156.84 49.15 Favored 'Trans proline' 0 C--N 1.377 2.058 0 C-N-CA 122.587 2.192 . . . . 0.0 113.159 179.604 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 18.9 p -123.65 138.56 54.52 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.058 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 59.0 mttp -100.41 151.0 22.05 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.965 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -95.68 -41.58 8.82 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.326 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -99.57 130.27 45.79 Favored 'General case' 0 C--O 1.234 0.283 0 O-C-N 123.429 0.455 . . . . 0.0 111.109 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 126.86 -120.37 3.61 Favored Glycine 0 C--N 1.337 0.598 0 CA-C-N 115.884 -0.598 . . . . 0.0 112.533 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 63.06 128.45 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 123.969 0.908 . . . . 0.0 112.102 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -99.0 138.41 36.14 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.157 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 40.0 p -102.38 149.43 24.36 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.002 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -99.51 150.77 21.87 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.221 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 15.5 t -124.47 -41.36 2.16 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.263 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 92.7 m-85 59.03 104.97 0.03 OUTLIER Pre-proline 0 N--CA 1.484 1.274 0 C-N-CA 123.721 0.808 . . . . 0.0 111.939 -179.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 22.8 Cg_exo -66.16 143.4 71.26 Favored 'Trans proline' 0 C--N 1.376 2.003 0 C-N-CA 122.645 2.23 . . . . 0.0 112.884 179.465 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 18.8 p -138.07 148.55 45.15 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.968 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -123.51 -43.79 2.15 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.479 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 98.54 81.18 1.58 Allowed Glycine 0 C--N 1.341 0.845 0 O-C-N 123.475 0.485 . . . . 0.0 112.654 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -126.27 131.67 51.85 Favored 'General case' 0 C--O 1.235 0.297 0 O-C-N 123.672 0.278 . . . . 0.0 111.163 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 56.5 mt-30 62.88 126.06 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.348 0 C-N-CA 123.954 0.901 . . . . 0.0 112.108 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -110.59 141.78 43.32 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.78 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 18.5 p -102.05 132.09 48.11 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.075 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -129.52 141.29 51.02 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.83 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -100.5 128.43 46.56 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.169 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 5.8 mp -131.23 -42.64 1.07 Allowed 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.236 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 3.3 m -124.2 105.78 31.2 Favored Pre-proline 0 CA--C 1.545 0.776 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.333 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -64.48 -35.28 49.79 Favored 'Trans proline' 0 C--N 1.375 1.929 0 C-N-CA 122.609 2.206 . . . . 0.0 113.333 179.448 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 63.04 126.46 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 123.912 0.885 . . . . 0.0 112.048 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -168.39 87.66 0.09 OUTLIER Glycine 0 C--N 1.336 0.58 0 CA-C-N 115.784 -0.644 . . . . 0.0 112.503 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 53.3 m -101.99 140.73 35.88 Favored 'General case' 0 C--O 1.235 0.307 0 O-C-N 123.679 0.282 . . . . 0.0 110.856 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 134.01 -92.34 0.25 Allowed Glycine 0 C--N 1.338 0.659 0 CA-C-N 115.812 -0.631 . . . . 0.0 112.37 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -128.16 -42.41 1.53 Allowed 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 122.291 0.236 . . . . 0.0 111.23 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -154.72 -149.84 5.37 Favored Glycine 0 C--N 1.34 0.772 0 O-C-N 123.474 0.484 . . . . 0.0 112.546 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -123.53 147.0 47.67 Favored 'General case' 0 C--O 1.235 0.317 0 O-C-N 123.674 0.279 . . . . 0.0 110.863 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -111.15 114.45 27.71 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.827 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -138.22 -37.91 0.56 Allowed 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.867 179.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -76.83 -29.54 55.96 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.612 179.617 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 16.0 mt -84.36 -26.51 28.37 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.772 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 63.5 mttm -69.33 -41.49 76.61 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 122.585 0.354 . . . . 0.0 111.954 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -64.74 -39.94 94.47 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 122.838 0.455 . . . . 0.0 111.728 179.61 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 47.5 tttt -74.58 -31.01 61.91 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.321 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -71.54 -37.68 71.1 Favored 'General case' 0 N--CA 1.469 0.516 0 O-C-N 123.446 0.466 . . . . 0.0 111.575 179.356 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -75.9 -35.23 59.88 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.513 179.355 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 52.4 m -70.24 -40.68 74.32 Favored 'General case' 0 N--CA 1.47 0.545 0 O-C-N 123.365 0.415 . . . . 0.0 111.418 179.266 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 22.2 mt -73.28 -36.11 66.26 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.113 179.293 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . 0.408 ' O ' ' HG3' ' A' ' 114' ' ' GLN . . . -68.37 -35.19 77.36 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.131 179.149 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.486 ' O ' ' HD2' ' A' ' 115' ' ' TYR . 95.0 mttt -73.92 -34.24 64.28 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.742 178.791 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -71.26 -31.61 67.72 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.371 178.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 24.3 mt -78.23 -33.02 17.37 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 178.45 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . 0.408 ' HG3' ' O ' ' A' ' 110' ' ' ALA . 53.0 mt-30 -66.81 -39.67 87.8 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.601 178.398 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . 0.486 ' HD2' ' O ' ' A' ' 111' ' ' LYS . 17.8 m-85 -73.92 -35.8 64.64 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.195 178.157 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 5.1 tp -68.49 -36.17 78.54 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.945 178.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -72.85 -38.5 67.04 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.041 179.25 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -69.14 -32.07 71.18 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.424 178.299 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.56 ' O ' HG21 ' A' ' 123' ' ' VAL . 16.2 mt -71.59 -42.85 67.22 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.361 179.586 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 2.1 pp -70.2 -33.42 54.58 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 O-C-N 123.336 0.398 . . . . 0.0 111.201 179.073 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -73.03 -31.23 64.32 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.514 179.012 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -74.33 -37.98 63.4 Favored 'General case' 0 N--CA 1.469 0.512 0 O-C-N 123.381 0.425 . . . . 0.0 111.667 179.477 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . 0.56 HG21 ' O ' ' A' ' 119' ' ' LEU . 2.5 m -73.62 -34.25 41.13 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 O-C-N 123.244 0.34 . . . . 0.0 111.108 178.541 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -71.07 -38.51 72.45 Favored 'General case' 0 N--CA 1.472 0.634 0 O-C-N 123.543 0.527 . . . . 0.0 111.403 178.649 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -74.17 -34.81 63.93 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-N 116.05 -0.523 . . . . 0.0 112.138 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -75.3 -40.7 58.28 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 116.12 -0.491 . . . . 0.0 112.133 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . 0.426 ' CZ ' ' HB2' ' A' ' 65' ' ' LEU . 94.8 mtt180 -118.43 129.74 55.57 Favored 'General case' 0 C--O 1.236 0.347 0 O-C-N 123.404 0.44 . . . . 0.0 110.819 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 119.9 -67.69 0.4 Allowed Glycine 0 C--N 1.337 0.619 0 CA-C-N 115.768 -0.651 . . . . 0.0 112.399 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -130.17 130.62 44.95 Favored 'General case' 0 C--O 1.234 0.267 0 C-N-CA 122.329 0.252 . . . . 0.0 110.886 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -102.51 143.75 31.82 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.78 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 35.9 ttt180 -101.16 146.68 27.17 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.62 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 28.5 m 49.94 157.81 0.04 OUTLIER Pre-proline 0 N--CA 1.493 1.691 0 C-N-CA 125.445 1.498 . . . . 0.0 114.017 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 6.8 Cg_exo . . . . . 0 C--N 1.379 2.142 0 C-N-CA 122.468 2.112 . . . . 0.0 112.676 179.864 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.194 0 CA-C-O 119.272 -0.738 . . . . 0.0 112.697 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_exo -75.75 152.95 37.91 Favored 'Trans proline' 0 C--N 1.371 1.712 0 C-N-CA 122.995 2.463 . . . . 0.0 112.808 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 31.4 m-90 -99.33 -40.2 8.03 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.294 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -99.76 131.87 45.46 Favored 'General case' 0 C--O 1.235 0.341 0 O-C-N 123.463 0.477 . . . . 0.0 110.791 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -128.54 -35.54 1.93 Allowed 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.597 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -94.46 120.15 34.26 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.244 -179.688 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 52.3 m -136.11 -43.0 0.64 Allowed 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.898 179.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 68.5 m-70 -122.72 -25.09 4.73 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.265 179.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.1 pp -89.24 79.57 1.69 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.532 0 CA-C-O 121.476 0.655 . . . . 0.0 111.11 179.682 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 10.9 p -139.8 -33.95 0.25 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.778 0 CA-C-N 115.048 -0.978 . . . . 0.0 110.845 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 58.2 m -88.09 -26.77 22.35 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.784 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -93.9 -14.54 25.93 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.946 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -90.57 -22.28 21.34 Favored 'General case' 0 N--CA 1.469 0.517 0 O-C-N 123.365 0.416 . . . . 0.0 111.774 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.3 m -74.32 -38.73 47.92 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.775 0 N-CA-C 112.413 0.523 . . . . 0.0 112.413 -179.709 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -66.88 -37.26 92.1 Favored Glycine 0 C--N 1.341 0.857 0 O-C-N 123.441 0.463 . . . . 0.0 113.636 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -76.68 -31.72 57.45 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 122.564 0.346 . . . . 0.0 111.525 179.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 64.6 mttm -76.17 -33.95 59.35 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.933 179.189 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.541 ' O ' HG23 ' A' ' 21' ' ' ILE . 93.6 m -73.57 -39.47 64.65 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.73 178.719 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.531 ' O ' HG22 ' A' ' 23' ' ' VAL . 42.3 mt-10 -70.38 -36.32 74.05 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.426 179.06 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.97 -37.49 67.03 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.602 179.685 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.541 HG23 ' O ' ' A' ' 18' ' ' CYS . 3.0 tp -73.67 -27.61 23.34 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.776 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.421 178.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -73.04 -43.04 41.98 Favored Glycine 0 C--N 1.348 1.226 0 CA-C-N 115.837 -0.62 . . . . 0.0 112.487 178.661 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.531 HG22 ' O ' ' A' ' 19' ' ' GLU . 3.0 m -71.01 -36.52 63.84 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 CA-C-O 120.704 0.288 . . . . 0.0 111.186 178.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -69.34 -36.02 76.5 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.734 178.662 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.526 ' HB2' ' O ' ' A' ' 21' ' ' ILE . 0.2 OUTLIER -69.86 -35.38 74.65 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.86 179.014 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.63 -40.82 80.13 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.935 179.152 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 30.2 m80 -69.9 -32.67 71.12 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 116.009 -0.542 . . . . 0.0 111.131 178.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.485 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 21.0 mt -74.73 -29.79 61.29 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.187 178.794 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.421 ' HG3' ' O ' ' A' ' 25' ' ' LEU . 40.2 mt-10 -72.39 -41.48 66.26 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.865 179.098 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -69.63 -37.61 76.87 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.731 178.683 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -74.14 -25.0 59.5 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.059 178.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.485 ' HB2' ' O ' ' A' ' 28' ' ' LEU . 2.8 tt -75.28 -39.52 59.62 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.833 179.206 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.5 mp -71.91 -37.36 70.08 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.725 178.685 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -71.81 -32.58 63.76 Favored Glycine 0 C--N 1.343 0.959 0 CA-C-N 115.733 -0.667 . . . . 0.0 112.34 178.594 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -81.16 -24.72 37.36 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 122.787 0.435 . . . . 0.0 111.437 178.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 13.0 mtt -80.34 -32.48 37.84 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.607 179.47 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -78.18 -35.57 48.51 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.487 179.646 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 55.6 p -86.58 -27.85 23.65 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.763 179.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 3.8 t60 63.15 108.24 0.03 OUTLIER 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 124.067 0.947 . . . . 0.0 111.712 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -143.14 166.48 24.57 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.433 179.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -98.01 -40.22 8.56 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.571 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.02 -39.94 87.16 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 112.907 0.706 . . . . 0.0 112.907 -179.653 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 21.1 mt -70.15 -35.75 74.25 Favored 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 112.373 0.508 . . . . 0.0 112.373 -179.314 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -68.86 -34.22 75.09 Favored 'General case' 0 N--CA 1.471 0.62 0 O-C-N 123.245 0.341 . . . . 0.0 111.538 179.633 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -72.64 -40.23 66.55 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.635 178.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 52.1 m -69.14 -37.84 78.5 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.295 178.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 20.0 mt -70.81 -33.75 71.03 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.835 179.384 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 50.5 mt-30 -72.7 -39.21 67.17 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.501 179.462 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -71.62 -37.04 62.01 Favored Glycine 0 C--N 1.344 1.004 0 CA-C-N 116.109 -0.496 . . . . 0.0 112.633 179.107 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -72.37 -35.52 68.5 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 122.859 0.463 . . . . 0.0 111.164 179.236 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.7 tt -71.81 -35.21 69.89 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.892 179.154 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -74.66 -31.44 61.94 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.064 179.068 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 17.6 p -74.49 -36.36 63.25 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.556 179.173 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 10.6 m -74.65 -34.01 33.44 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 O-C-N 123.243 0.34 . . . . 0.0 110.955 178.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 55.0 tttt -71.07 -37.15 72.47 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.618 178.613 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -72.89 -33.57 66.11 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.097 178.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 12.3 p -73.48 -33.06 64.64 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.265 178.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.9 tt -72.5 -39.36 67.69 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.551 179.178 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.428 ' O ' HG13 ' A' ' 62' ' ' ILE . 54.3 mt-30 -69.4 -36.68 77.0 Favored 'General case' 0 N--CA 1.472 0.675 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.662 178.618 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.429 ' O ' ' HB2' ' A' ' 64' ' ' GLN . . . -70.12 -31.74 69.43 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.021 178.683 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 55.0 mmm -70.72 -43.1 69.65 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.514 179.059 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.436 ' O ' ' HB2' ' A' ' 66' ' ' GLN . 1.4 pt -75.67 -24.34 16.94 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 O-C-N 123.385 0.428 . . . . 0.0 111.851 179.222 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.6 tp -85.4 -24.74 27.38 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.292 179.404 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.429 ' HB2' ' O ' ' A' ' 60' ' ' ALA . 11.6 tt0 -89.25 -31.91 17.65 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.451 179.684 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 12.4 mt -90.46 -40.68 11.88 Favored 'General case' 0 N--CA 1.469 0.481 0 O-C-N 123.322 0.389 . . . . 0.0 111.323 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.436 ' HB2' ' O ' ' A' ' 62' ' ' ILE . 54.9 mt-30 -109.24 103.43 52.48 Favored Pre-proline 0 CA--C 1.542 0.673 0 O-C-N 123.584 0.553 . . . . 0.0 110.415 179.684 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 21.8 Cg_exo -66.14 119.87 6.95 Favored 'Trans proline' 0 C--N 1.375 1.942 0 C-N-CA 122.588 2.192 . . . . 0.0 113.153 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 4.5 t -148.38 108.38 4.06 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.664 179.704 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -136.11 139.11 42.71 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.961 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -130.24 125.28 34.48 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.744 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -128.59 131.58 48.15 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.075 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 99.91 -105.5 3.01 Favored Glycine 0 C--N 1.337 0.639 0 CA-C-N 115.824 -0.626 . . . . 0.0 112.502 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -117.3 145.9 43.69 Favored 'General case' 0 N--CA 1.465 0.319 0 O-C-N 123.719 0.306 . . . . 0.0 110.851 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -100.28 144.52 29.19 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.158 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 52.3 m -115.69 138.17 51.36 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.923 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -100.91 144.99 29.19 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.079 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 53.1 m -108.11 -42.64 4.6 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.281 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 91.0 m-85 -129.09 114.63 18.69 Favored Pre-proline 0 CA--C 1.541 0.624 0 O-C-N 123.398 0.436 . . . . 0.0 110.841 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 25.2 Cg_exo -64.14 -35.3 53.65 Favored 'Trans proline' 0 C--N 1.375 1.942 0 C-N-CA 122.616 2.21 . . . . 0.0 113.296 179.42 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 40.9 p 52.37 107.57 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 124.329 1.052 . . . . 0.0 112.863 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -108.34 144.12 36.31 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.723 -0.672 . . . . 0.0 111.108 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -168.42 -151.38 7.09 Favored Glycine 0 C--N 1.337 0.608 0 CA-C-N 115.871 -0.604 . . . . 0.0 112.562 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -100.71 145.57 28.29 Favored 'General case' 0 C--O 1.235 0.319 0 O-C-N 123.574 0.22 . . . . 0.0 111.111 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -101.12 -45.66 5.31 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.85 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -131.87 127.22 36.06 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.901 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 6.3 t -141.76 123.36 15.06 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.897 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -112.73 122.41 47.57 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.776 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -133.36 140.65 47.5 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.016 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 5.8 mp -128.82 119.17 24.0 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.834 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.612 ' H ' ' CD ' ' A' ' 91' ' ' PRO . 2.9 m -145.77 -32.3 0.0 OUTLIER Pre-proline 0 CA--C 1.552 1.047 0 CA-C-O 118.249 -0.881 . . . . 0.0 113.248 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . 0.612 ' CD ' ' H ' ' A' ' 90' ' ' VAL . 3.1 Cg_exo -76.87 158.75 34.82 Favored 'Trans proline' 0 C--N 1.383 2.383 0 C-N-CA 122.011 1.807 . . . . 0.0 112.88 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -122.8 130.74 53.26 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.798 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -156.43 -154.24 6.93 Favored Glycine 0 C--N 1.336 0.566 0 CA-C-N 115.947 -0.57 . . . . 0.0 112.626 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 52.9 m -128.82 146.37 50.94 Favored 'General case' 0 C--O 1.236 0.343 0 C-N-CA 122.317 0.247 . . . . 0.0 110.936 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -132.4 120.11 2.64 Favored Glycine 0 C--N 1.336 0.576 0 CA-C-N 115.835 -0.62 . . . . 0.0 112.508 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -107.66 -43.51 4.48 Favored 'General case' 0 C--O 1.235 0.328 0 O-C-N 123.66 0.271 . . . . 0.0 110.952 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -112.52 -106.81 2.84 Favored Glycine 0 C--N 1.34 0.764 0 O-C-N 123.443 0.464 . . . . 0.0 112.564 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -99.77 148.39 24.45 Favored 'General case' 0 C--O 1.235 0.337 0 O-C-N 123.645 0.262 . . . . 0.0 110.966 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 42.1 m-80 -128.28 -27.56 2.67 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.76 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -87.23 -26.29 23.58 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 111.997 0.369 . . . . 0.0 111.997 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -76.92 -29.87 55.86 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 112.314 0.487 . . . . 0.0 112.314 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 11.9 mt -85.3 -26.93 26.3 Favored 'General case' 0 N--CA 1.47 0.572 0 O-C-N 123.347 0.404 . . . . 0.0 111.956 -179.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 63.9 mttm -74.81 -35.81 62.46 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 111.974 0.361 . . . . 0.0 111.974 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -64.51 -41.37 96.45 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 122.731 0.412 . . . . 0.0 111.645 179.675 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -78.77 -33.28 46.52 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.498 179.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -71.64 -38.05 70.79 Favored 'General case' 0 N--CA 1.47 0.555 0 O-C-N 123.466 0.479 . . . . 0.0 111.493 179.206 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -75.95 -38.48 57.52 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.738 179.507 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 66.4 m -70.37 -37.58 74.6 Favored 'General case' 0 N--CA 1.471 0.619 0 O-C-N 123.214 0.321 . . . . 0.0 111.189 179.368 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 3.6 tp -73.22 -37.03 66.55 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.82 179.372 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -68.35 -34.89 76.89 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.264 179.184 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -74.35 -33.37 63.1 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.954 178.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.426 ' O ' ' HB2' ' A' ' 116' ' ' LEU . 42.4 mt-10 -73.5 -31.25 63.63 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.623 178.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 26.7 mt -79.45 -33.09 15.08 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 178.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 52.2 mt-30 -69.06 -38.3 79.01 Favored 'General case' 0 N--CA 1.472 0.636 0 O-C-N 123.411 0.445 . . . . 0.0 110.319 178.262 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 13.5 t80 -73.8 -35.83 64.94 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.891 178.434 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.426 ' HB2' ' O ' ' A' ' 112' ' ' GLU . 7.3 tp -67.98 -38.18 82.4 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.798 178.739 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 92.4 mttt -70.33 -38.43 74.89 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.099 179.245 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -68.97 -31.59 70.56 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.226 178.442 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.491 ' O ' HG23 ' A' ' 123' ' ' VAL . 16.5 mt -71.46 -41.57 69.24 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.581 179.296 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 12.8 mt -70.13 -34.6 59.89 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 O-C-N 123.349 0.406 . . . . 0.0 110.371 179.161 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -73.0 -30.87 64.11 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.622 179.213 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -75.95 -35.87 59.52 Favored 'General case' 0 N--CA 1.47 0.537 0 O-C-N 123.399 0.437 . . . . 0.0 111.727 179.575 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 119' ' ' LEU . 3.6 m -75.82 -33.57 26.08 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 O-C-N 123.216 0.322 . . . . 0.0 110.896 178.672 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 37.9 ttt180 -71.06 -39.84 71.99 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.059 178.678 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -74.2 -35.35 63.94 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.992 179.666 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -75.18 -42.58 55.52 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 116.04 -0.527 . . . . 0.0 112.182 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 29.9 ttt180 -128.64 129.74 46.29 Favored 'General case' 0 C--O 1.235 0.322 0 O-C-N 123.459 0.474 . . . . 0.0 110.571 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 152.86 147.15 4.53 Favored Glycine 0 C--N 1.337 0.604 0 CA-C-N 115.817 -0.629 . . . . 0.0 112.486 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -99.33 -40.88 7.69 Favored 'General case' 0 N--CA 1.466 0.352 0 O-C-N 123.651 0.265 . . . . 0.0 111.303 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -98.46 140.58 32.5 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.94 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 86.4 mtm180 -128.15 129.87 47.21 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.869 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . 0.444 ' N ' ' CD ' ' A' ' 133' ' ' PRO . 3.9 m -93.02 -30.87 0.31 Allowed Pre-proline 0 CA--C 1.553 1.065 0 N-CA-C 113.275 0.843 . . . . 0.0 113.275 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . 0.444 ' CD ' ' N ' ' A' ' 132' ' ' VAL . 2.6 Cg_exo . . . . . 0 C--N 1.382 2.303 0 C-N-CA 122.177 1.918 . . . . 0.0 112.835 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.298 0 CA-C-O 119.306 -0.719 . . . . 0.0 112.6 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.416 ' HB2' ' CE3' ' A' ' 3' ' ' TRP . 5.5 Cg_exo -75.58 -35.63 2.65 Favored 'Trans proline' 0 C--N 1.37 1.686 0 C-N-CA 122.986 2.457 . . . . 0.0 113.124 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.416 ' CE3' ' HB2' ' A' ' 2' ' ' PRO . 31.0 m-90 -109.07 145.52 35.49 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.863 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -121.8 149.47 43.28 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.996 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -98.63 -31.11 12.1 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.443 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -88.25 -2.79 58.81 Favored 'General case' 0 CA--C 1.539 0.53 0 O-C-N 123.399 0.437 . . . . 0.0 111.903 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 12.6 t -91.65 -20.01 22.07 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.8 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 60.7 m80 -92.65 -36.38 13.0 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.627 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.1 pp -91.77 85.0 2.15 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 CA-C-O 121.357 0.599 . . . . 0.0 111.27 179.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 3.2 m -146.98 -35.63 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 CA-C-N 115.221 -0.9 . . . . 0.0 111.246 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 71.8 m -83.8 -18.03 39.06 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.95 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -95.52 -19.72 19.6 Favored 'General case' 0 N--CA 1.466 0.357 0 O-C-N 123.328 0.392 . . . . 0.0 111.938 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -89.37 -22.07 22.78 Favored 'General case' 0 N--CA 1.469 0.512 0 O-C-N 123.292 0.37 . . . . 0.0 111.859 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.7 m -71.3 -39.36 72.38 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 N-CA-C 112.584 0.587 . . . . 0.0 112.584 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -67.34 -40.47 91.8 Favored Glycine 0 C--N 1.341 0.845 0 CA-C-N 116.133 -0.485 . . . . 0.0 113.703 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -73.29 -38.83 65.75 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 122.54 0.336 . . . . 0.0 111.194 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.631 ' O ' HG12 ' A' ' 21' ' ' ILE . 96.6 mttt -70.83 -34.56 71.82 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.131 179.371 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 48.9 t -71.43 -37.14 71.48 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.548 178.713 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.554 ' O ' HG22 ' A' ' 23' ' ' VAL . 41.0 mt-10 -69.89 -31.32 69.08 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.889 178.631 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.32 -40.04 67.77 Favored 'General case' 0 C--N 1.348 0.505 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.483 178.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.631 HG12 ' O ' ' A' ' 17' ' ' LYS . 40.8 mm -72.4 -27.44 26.24 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.901 178.51 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -71.93 -44.01 47.78 Favored Glycine 0 C--N 1.348 1.227 0 CA-C-N 116.019 -0.537 . . . . 0.0 112.563 178.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.554 HG22 ' O ' ' A' ' 19' ' ' GLU . 3.1 m -71.09 -35.09 57.38 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 CA-C-O 120.614 0.245 . . . . 0.0 111.231 179.144 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.469 ' O ' ' HB2' ' A' ' 28' ' ' LEU . 96.9 mttt -71.49 -33.59 69.4 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.921 178.855 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.462 ' HB2' ' O ' ' A' ' 21' ' ' ILE . 2.7 tt -70.02 -40.96 74.89 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.999 179.249 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 13.8 mt -67.54 -42.24 83.03 Favored 'General case' 0 N--CA 1.475 0.819 0 O-C-N 123.317 0.386 . . . . 0.0 111.228 179.362 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 20.5 m-70 -69.73 -31.39 69.36 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.072 178.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.469 ' HB2' ' O ' ' A' ' 24' ' ' LYS . 2.2 tp -74.44 -29.37 61.46 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.114 179.055 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.443 ' HG3' ' O ' ' A' ' 25' ' ' LEU . 43.8 mt-10 -73.74 -41.47 62.47 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.879 178.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -69.67 -36.85 76.38 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.922 178.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 18.7 mm-40 -74.18 -28.82 61.47 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.02 178.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.74 -38.46 67.41 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.108 179.165 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.46 ' O ' ' HD1' ' A' ' 37' ' ' TYR . 11.2 mt -71.0 -40.37 71.86 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.676 178.769 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -72.0 -27.2 70.86 Favored Glycine 0 C--N 1.343 0.96 0 CA-C-N 115.741 -0.663 . . . . 0.0 112.635 178.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -81.18 -30.09 34.46 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 122.721 0.408 . . . . 0.0 111.753 179.234 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 47.9 mtt -78.83 -36.27 42.81 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 116.251 -0.432 . . . . 0.0 112.164 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.46 ' HD1' ' O ' ' A' ' 33' ' ' LEU . 34.3 m-85 -81.1 -40.17 24.5 Favored 'General case' 0 N--CA 1.471 0.581 0 N-CA-C 112.149 0.426 . . . . 0.0 112.149 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 53.5 m -86.77 -20.74 27.17 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.979 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 69.9 m-70 62.52 113.05 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 123.847 0.859 . . . . 0.0 111.956 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -141.02 165.9 26.28 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.787 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -109.59 -39.72 5.07 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.465 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.85 -30.07 70.15 Favored 'General case' 0 N--CA 1.475 0.786 0 N-CA-C 112.898 0.703 . . . . 0.0 112.898 -179.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.1 mt -71.17 -28.72 64.45 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 112.411 0.523 . . . . 0.0 112.411 -179.56 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 32.9 m-85 -73.94 -36.02 64.61 Favored 'General case' 0 N--CA 1.472 0.642 0 O-C-N 123.283 0.364 . . . . 0.0 111.361 179.175 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 12.3 mm100 -71.64 -41.63 68.56 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.648 179.09 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 52.6 m -69.12 -32.35 71.67 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.875 178.461 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 5.8 tp -70.52 -37.1 74.06 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.191 179.117 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 12.2 mm100 -71.71 -39.95 69.83 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.565 179.708 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -71.67 -39.12 60.84 Favored Glycine 0 C--N 1.342 0.87 0 O-C-N 123.542 0.526 . . . . 0.0 113.011 179.468 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -71.77 -35.68 70.14 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 122.741 0.417 . . . . 0.0 111.478 179.601 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.7 tp -72.44 -35.79 68.39 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.07 179.559 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -74.61 -30.66 61.75 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.253 179.077 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 16.5 p -75.14 -36.78 61.55 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.584 179.097 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 13.3 m -74.74 -33.94 32.59 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 O-C-N 123.368 0.417 . . . . 0.0 110.878 178.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 54.6 tttt -71.37 -37.75 71.6 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.765 178.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -72.95 -33.81 66.12 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.038 178.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 12.1 p -75.08 -30.82 61.06 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.083 178.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.9 tt -73.16 -40.46 64.83 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.514 179.225 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -69.72 -38.98 77.11 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.913 178.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.453 ' O ' ' HB2' ' A' ' 64' ' ' GLN . . . -69.91 -30.75 68.24 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.161 178.852 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 3.1 mmm -71.19 -43.19 67.92 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.343 179.199 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 2.1 pp -75.26 -24.55 17.58 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.641 179.582 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 2.9 tt -85.24 -24.44 27.79 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.159 179.051 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.453 ' HB2' ' O ' ' A' ' 60' ' ' ALA . 5.2 tt0 -89.01 -27.63 20.73 Favored 'General case' 0 CA--C 1.538 0.493 0 O-C-N 123.388 0.43 . . . . 0.0 111.609 179.792 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 21.0 mt -75.47 -10.85 59.81 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 112.334 0.494 . . . . 0.0 112.334 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -93.98 156.33 39.31 Favored Pre-proline 0 CA--C 1.541 0.607 0 CA-C-O 119.376 -0.345 . . . . 0.0 111.03 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.92 -35.43 2.52 Favored 'Trans proline' 0 C--N 1.375 1.956 0 C-N-CA 122.638 2.225 . . . . 0.0 113.11 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 19.0 p -97.51 143.43 28.22 Favored 'General case' 0 C--O 1.235 0.321 0 O-C-N 123.337 0.398 . . . . 0.0 111.327 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -128.91 136.65 50.68 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.741 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -100.37 134.82 42.75 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.823 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -100.68 145.06 28.9 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.111 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 103.54 88.99 2.08 Favored Glycine 0 C--N 1.336 0.58 0 O-C-N 123.7 0.625 . . . . 0.0 112.55 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -101.02 142.28 32.71 Favored 'General case' 0 C--O 1.235 0.307 0 C-N-CA 122.29 0.236 . . . . 0.0 110.482 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -125.85 132.72 52.15 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.164 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 53.4 m -100.89 135.27 42.61 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.924 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -104.61 146.3 29.11 Favored 'General case' 0 C--O 1.236 0.351 0 O-C-N 123.651 0.594 . . . . 0.0 111.2 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 54.9 m -123.74 131.89 53.69 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.914 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 36.8 p90 -130.13 158.81 73.0 Favored Pre-proline 0 CA--C 1.545 0.786 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.99 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 7.3 Cg_exo -74.23 157.19 46.23 Favored 'Trans proline' 0 C--N 1.377 2.053 0 C-N-CA 122.536 2.157 . . . . 0.0 112.708 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 19.4 p -124.95 -45.72 1.86 Allowed 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.411 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -126.52 147.03 49.9 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.072 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -135.13 66.51 0.56 Allowed Glycine 0 C--N 1.337 0.621 0 CA-C-N 115.86 -0.609 . . . . 0.0 112.463 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -99.22 150.66 21.85 Favored 'General case' 0 C--O 1.235 0.326 0 O-C-N 123.679 0.282 . . . . 0.0 111.289 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 54.7 mt-30 -96.4 -39.26 9.69 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.403 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -96.52 142.82 28.14 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.913 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 19.3 p -99.11 -43.92 6.48 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.467 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -97.15 142.07 29.51 Favored 'General case' 0 C--O 1.235 0.327 0 O-C-N 123.36 0.413 . . . . 0.0 111.038 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -114.27 152.93 30.58 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.087 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 2.7 tt -95.21 -43.19 8.19 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.006 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 13.3 p -121.04 125.2 27.09 Favored Pre-proline 0 CA--C 1.554 1.122 0 O-C-N 123.384 0.428 . . . . 0.0 110.598 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 7.1 Cg_exo -74.15 -36.39 3.36 Favored 'Trans proline' 0 C--N 1.376 1.985 0 C-N-CA 122.475 2.116 . . . . 0.0 113.099 179.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -100.23 149.59 23.41 Favored 'General case' 0 N--CA 1.466 0.343 0 O-C-N 123.389 0.431 . . . . 0.0 111.077 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -154.66 118.95 0.89 Allowed Glycine 0 C--N 1.336 0.569 0 CA-C-N 115.728 -0.669 . . . . 0.0 112.429 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 53.5 m -99.54 146.56 26.28 Favored 'General case' 0 C--O 1.236 0.351 0 O-C-N 123.606 0.239 . . . . 0.0 110.999 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 158.85 -136.4 4.69 Favored Glycine 0 C--N 1.337 0.6 0 CA-C-N 115.829 -0.623 . . . . 0.0 112.505 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -100.41 150.21 22.86 Favored 'General case' 0 C--O 1.236 0.381 0 C-N-CA 122.289 0.236 . . . . 0.0 110.994 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -98.54 -157.73 29.67 Favored Glycine 0 C--N 1.337 0.615 0 CA-C-N 115.863 -0.608 . . . . 0.0 112.666 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -130.16 147.19 51.86 Favored 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 122.335 0.254 . . . . 0.0 110.959 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -111.3 -14.33 13.81 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.635 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -90.75 -19.71 23.21 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 122.563 0.345 . . . . 0.0 111.85 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -76.98 -31.45 56.53 Favored 'General case' 0 N--CA 1.471 0.61 0 O-C-N 123.424 0.453 . . . . 0.0 112.192 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 11.1 mt -86.3 -28.34 23.79 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.732 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -74.46 -38.58 62.9 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 122.687 0.395 . . . . 0.0 111.807 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -64.7 -39.69 94.09 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 122.792 0.437 . . . . 0.0 111.683 179.561 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.421 ' O ' ' HB2' ' A' ' 109' ' ' LEU . 97.1 mttt -78.07 -33.11 51.01 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.516 179.851 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -71.72 -40.15 69.63 Favored 'General case' 0 N--CA 1.469 0.512 0 O-C-N 123.318 0.386 . . . . 0.0 111.514 179.182 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -75.9 -34.8 59.96 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.793 179.427 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' SER . . . . . 0.438 ' O ' ' HG3' ' A' ' 112' ' ' GLU . 15.8 t -72.41 -36.79 68.72 Favored 'General case' 0 N--CA 1.471 0.606 0 O-C-N 123.349 0.405 . . . . 0.0 111.122 179.259 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.421 ' HB2' ' O ' ' A' ' 105' ' ' LYS . 1.1 tt -73.74 -37.61 65.02 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.79 179.383 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . 0.451 ' O ' ' HG3' ' A' ' 114' ' ' GLN . . . -69.11 -34.01 74.39 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.788 178.572 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.462 ' O ' ' HD2' ' A' ' 115' ' ' TYR . 23.7 tttm -73.03 -33.61 65.83 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.418 178.754 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.438 ' HG3' ' O ' ' A' ' 108' ' ' SER . 40.7 mt-10 -68.01 -36.9 80.75 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.988 178.442 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 27.2 mt -73.41 -33.2 39.56 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.954 178.244 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . 0.451 ' HG3' ' O ' ' A' ' 110' ' ' ALA . 45.6 mt-30 -65.22 -37.41 87.19 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.653 178.355 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . 0.462 ' HD2' ' O ' ' A' ' 111' ' ' LYS . 14.7 m-85 -73.56 -35.82 65.54 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.307 177.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.626 ' O ' HG12 ' A' ' 120' ' ' ILE . 10.0 tp -68.09 -41.02 82.48 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 115.419 -0.809 . . . . 0.0 110.724 178.834 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -69.54 -36.24 76.19 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.934 179.171 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -68.8 -33.64 74.2 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.941 178.665 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.51 ' O ' HG22 ' A' ' 123' ' ' VAL . 12.2 mt -71.16 -38.68 72.19 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.393 179.411 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . 0.626 HG12 ' O ' ' A' ' 116' ' ' LEU . 41.5 mm -69.28 -36.21 71.37 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 O-C-N 123.463 0.477 . . . . 0.0 110.121 178.606 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -72.91 -28.99 62.78 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.521 179.029 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -76.12 -36.86 58.66 Favored 'General case' 0 N--CA 1.471 0.595 0 O-C-N 123.35 0.406 . . . . 0.0 111.643 179.456 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . 0.51 HG22 ' O ' ' A' ' 119' ' ' LEU . 3.3 m -75.32 -33.82 29.0 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.775 0 O-C-N 123.248 0.342 . . . . 0.0 110.965 178.727 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 34.2 ttt180 -71.31 -39.84 71.18 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.048 178.721 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -74.28 -34.28 63.5 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-N 116.04 -0.527 . . . . 0.0 112.162 179.748 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -75.1 -41.83 57.85 Favored 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 112.249 0.463 . . . . 0.0 112.249 -179.715 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 21.3 ttt180 -118.22 127.86 54.15 Favored 'General case' 0 C--O 1.235 0.332 0 O-C-N 123.432 0.458 . . . . 0.0 110.631 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 143.74 -101.44 0.26 Allowed Glycine 0 C--N 1.337 0.638 0 CA-C-N 115.774 -0.648 . . . . 0.0 112.43 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -130.07 144.16 51.19 Favored 'General case' 0 N--CA 1.466 0.327 0 O-C-N 123.662 0.272 . . . . 0.0 110.889 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 59.0 mttp -128.45 143.0 50.92 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.782 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 63.08 126.38 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 123.95 0.9 . . . . 0.0 111.991 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 3.1 m -129.23 98.68 22.88 Favored Pre-proline 0 CA--C 1.546 0.797 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.331 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 15.1 Cg_exo . . . . . 0 C--N 1.375 1.922 0 C-N-CA 122.819 2.346 . . . . 0.0 112.716 179.516 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.176 0 CA-C-O 119.188 -0.785 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -75.56 136.5 19.37 Favored 'Trans proline' 0 C--N 1.37 1.692 0 C-N-CA 122.926 2.418 . . . . 0.0 112.799 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 19.8 p-90 -112.11 139.04 47.97 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.063 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 58.9 mttp -97.09 150.34 20.94 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.125 -179.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -101.98 -39.2 7.44 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.457 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -98.09 122.54 41.36 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.232 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 53.0 m -131.93 -42.32 1.01 Allowed 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.017 179.741 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 66.9 m-70 -119.57 -18.42 8.43 Favored 'General case' 0 N--CA 1.466 0.375 0 O-C-N 123.549 0.531 . . . . 0.0 111.431 179.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.1 pp -91.13 88.16 2.76 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 CA-C-O 121.268 0.556 . . . . 0.0 111.292 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 3.2 m -146.58 -35.26 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 CA-C-N 115.288 -0.869 . . . . 0.0 111.36 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 13.9 t -83.69 -16.87 43.34 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 115.993 -0.548 . . . . 0.0 111.97 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -96.26 -23.22 16.79 Favored 'General case' 0 N--CA 1.468 0.475 0 O-C-N 123.316 0.385 . . . . 0.0 111.928 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -86.72 -22.05 26.25 Favored 'General case' 0 N--CA 1.471 0.624 0 O-C-N 123.373 0.421 . . . . 0.0 111.863 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.4 m -74.67 -37.71 43.65 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 N-CA-C 112.523 0.564 . . . . 0.0 112.523 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -59.12 -39.74 94.79 Favored Glycine 0 C--N 1.342 0.871 0 CA-C-N 116.16 -0.473 . . . . 0.0 113.975 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -75.66 -36.4 60.14 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 122.446 0.298 . . . . 0.0 111.497 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.42 ' HD3' ' SD ' ' A' ' 61' ' ' MET . 97.2 mttt -73.21 -34.3 65.86 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.082 179.402 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.605 ' O ' HG21 ' A' ' 21' ' ' ILE . 87.4 m -74.11 -36.45 64.22 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.844 178.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.55 ' O ' HG23 ' A' ' 23' ' ' VAL . 36.6 mt-10 -70.06 -34.86 73.75 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.916 178.544 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.49 -38.52 68.13 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.351 179.137 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.605 HG21 ' O ' ' A' ' 18' ' ' CYS . 1.5 tp -71.92 -28.44 30.2 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.879 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.437 178.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.52 -43.48 44.51 Favored Glycine 0 C--N 1.348 1.228 0 CA-C-N 115.608 -0.724 . . . . 0.0 112.54 178.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.55 HG23 ' O ' ' A' ' 19' ' ' GLU . 2.7 m -70.23 -34.08 57.25 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 CA-C-O 120.685 0.279 . . . . 0.0 110.992 178.841 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -71.1 -33.53 70.25 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.789 178.388 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 10.3 tp -69.78 -40.22 76.17 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.16 178.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 14.5 mt -68.29 -42.59 79.28 Favored 'General case' 0 N--CA 1.474 0.728 0 O-C-N 123.309 0.381 . . . . 0.0 111.604 179.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 27.4 m-70 -69.69 -31.65 69.8 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.154 178.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.431 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 4.7 tp -74.74 -29.94 61.33 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.915 179.01 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.562 ' OE1' HD11 ' A' ' 113' ' ' ILE . 6.6 mm-40 -72.84 -41.1 65.18 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.978 179.123 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -69.8 -37.88 76.45 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.03 178.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -74.42 -27.18 60.51 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.519 179.084 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.431 ' HB2' ' O ' ' A' ' 28' ' ' LEU . 5.2 tt -73.92 -42.2 60.97 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.063 179.517 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 5.4 mt -72.53 -35.69 68.13 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.772 179.022 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -72.43 -31.04 63.72 Favored Glycine 0 C--N 1.343 0.963 0 CA-C-N 115.7 -0.682 . . . . 0.0 112.763 178.503 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -81.15 -30.19 34.52 Favored 'General case' 0 C--N 1.347 0.475 0 C-N-CA 122.603 0.361 . . . . 0.0 111.94 179.499 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 52.4 mtt -81.98 -30.08 31.82 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.975 179.756 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 10.7 t80 -81.15 -39.07 26.13 Favored 'General case' 0 N--CA 1.469 0.522 0 O-C-N 123.317 0.385 . . . . 0.0 111.343 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 52.4 m -86.49 -21.11 27.18 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.962 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 66.2 m80 61.56 110.29 0.02 OUTLIER 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 123.845 0.858 . . . . 0.0 111.897 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -142.04 159.45 42.2 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.888 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -97.89 -40.59 8.43 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.68 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.64 -36.36 82.39 Favored 'General case' 0 N--CA 1.475 0.794 0 N-CA-C 112.612 0.597 . . . . 0.0 112.612 -179.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.435 ' O ' ' HB2' ' A' ' 47' ' ' LEU . 7.0 mt -68.88 -28.3 66.57 Favored 'General case' 0 N--CA 1.472 0.625 0 CA-C-N 116.05 -0.523 . . . . 0.0 112.161 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 9.6 t80 -67.35 -41.07 85.78 Favored 'General case' 0 N--CA 1.472 0.656 0 O-C-N 123.263 0.352 . . . . 0.0 111.118 179.554 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -71.79 -38.82 70.23 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.549 178.779 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 53.2 m -69.19 -34.09 74.37 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.92 178.316 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.435 ' HB2' ' O ' ' A' ' 43' ' ' LEU . 3.7 tp -70.74 -35.96 72.91 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.298 179.16 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -71.14 -40.63 71.25 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.488 179.553 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -71.06 -39.19 63.38 Favored Glycine 0 C--N 1.344 1.016 0 CA-C-N 116.126 -0.488 . . . . 0.0 112.593 179.258 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.597 ' O ' HG23 ' A' ' 54' ' ' VAL . 42.3 mt-10 -70.54 -35.75 73.3 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 122.738 0.415 . . . . 0.0 111.049 179.231 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.403 ' HB2' ' O ' ' A' ' 47' ' ' LEU . 2.7 tt -70.35 -35.11 73.36 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.777 179.179 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -72.35 -33.51 67.33 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.292 178.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 18.9 p -73.79 -34.76 64.77 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.534 179.016 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.597 HG23 ' O ' ' A' ' 50' ' ' GLU . 87.7 t -73.63 -34.53 41.89 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.254 179.002 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 75.0 mttt -73.59 -35.02 65.35 Favored 'General case' 0 N--CA 1.471 0.583 0 O-C-N 123.354 0.409 . . . . 0.0 111.303 178.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -73.05 -34.13 66.1 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.292 178.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 18.2 p -73.48 -36.51 65.84 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.094 178.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.3 tt -70.61 -38.42 73.97 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.775 179.051 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.542 ' OE1' HD12 ' A' ' 62' ' ' ILE . 0.7 OUTLIER -69.6 -37.35 76.85 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.734 178.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.417 ' O ' ' HB2' ' A' ' 64' ' ' GLN . . . -69.85 -31.33 69.11 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.039 178.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.42 ' SD ' ' HD3' ' A' ' 17' ' ' LYS . 53.2 mmm -71.1 -44.55 65.43 Favored 'General case' 0 C--N 1.347 0.463 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.517 178.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.542 HD12 ' OE1' ' A' ' 59' ' ' GLN . 1.7 pt -75.56 -22.48 16.36 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 CA-C-N 116.177 -0.465 . . . . 0.0 112.023 179.539 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 2.7 tt -86.64 -26.1 24.54 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.149 179.341 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.417 ' HB2' ' O ' ' A' ' 60' ' ' ALA . 5.0 tt0 -88.21 -29.31 20.57 Favored 'General case' 0 N--CA 1.469 0.484 0 O-C-N 123.297 0.373 . . . . 0.0 111.578 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.478 ' HB3' ' NH1' ' A' ' 127' ' ' ARG . 18.5 mt -86.18 -30.02 22.77 Favored 'General case' 0 N--CA 1.469 0.52 0 N-CA-C 111.982 0.364 . . . . 0.0 111.982 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -94.08 118.75 67.21 Favored Pre-proline 0 CA--C 1.542 0.647 0 O-C-N 123.295 0.372 . . . . 0.0 110.893 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_exo -61.33 -22.94 75.97 Favored 'Trans proline' 0 C--N 1.376 2.013 0 C-N-CA 122.665 2.243 . . . . 0.0 113.697 179.597 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 18.9 p -93.61 135.64 34.68 Favored 'General case' 0 N--CA 1.468 0.427 0 O-C-N 123.349 0.405 . . . . 0.0 111.364 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 58.0 tttt -101.15 148.08 25.49 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.569 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -129.24 131.25 47.01 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.823 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -108.63 148.52 30.26 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.201 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -122.09 -115.28 2.31 Favored Glycine 0 C--N 1.338 0.641 0 CA-C-N 115.903 -0.59 . . . . 0.0 112.502 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -100.78 154.12 18.89 Favored 'General case' 0 C--O 1.234 0.283 0 O-C-N 123.63 0.253 . . . . 0.0 110.588 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -93.71 -39.22 10.89 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.647 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 16.6 t -96.41 147.6 23.65 Favored 'General case' 0 C--O 1.235 0.329 0 O-C-N 123.326 0.391 . . . . 0.0 110.793 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -110.51 126.24 54.18 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.206 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 37.0 p -131.98 142.16 49.52 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.694 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 90.7 m-85 -99.35 156.08 35.81 Favored Pre-proline 0 CA--C 1.539 0.536 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.013 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -76.83 158.81 34.95 Favored 'Trans proline' 0 C--N 1.375 1.958 0 C-N-CA 122.621 2.214 . . . . 0.0 112.748 179.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 6.8 t -137.59 123.21 19.79 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.937 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -100.57 146.7 26.8 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.228 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 146.21 152.52 5.66 Favored Glycine 0 C--N 1.338 0.661 0 CA-C-N 115.883 -0.599 . . . . 0.0 112.573 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -118.3 -42.23 2.8 Favored 'General case' 0 C--O 1.234 0.287 0 C-N-CA 122.36 0.264 . . . . 0.0 111.454 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -120.32 -41.98 2.59 Favored 'General case' 0 CA--C 1.534 0.34 0 O-C-N 123.379 0.425 . . . . 0.0 110.922 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 71.03 -50.49 0.68 Allowed 'General case' 0 N--CA 1.487 1.406 0 C-N-CA 124.479 1.112 . . . . 0.0 112.38 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 7.0 t -105.03 125.53 51.08 Favored 'General case' 0 N--CA 1.467 0.381 0 O-C-N 123.227 0.329 . . . . 0.0 111.029 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -129.72 139.06 51.43 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.872 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -114.37 -42.14 3.36 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.517 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 12.1 mt -109.13 131.42 55.09 Favored 'General case' 0 C--O 1.235 0.294 0 O-C-N 123.338 0.399 . . . . 0.0 110.976 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 3.7 m -137.19 157.13 74.93 Favored Pre-proline 0 CA--C 1.544 0.723 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.17 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_exo -76.14 -40.25 0.7 Allowed 'Trans proline' 0 C--N 1.375 1.951 0 C-N-CA 122.498 2.132 . . . . 0.0 112.909 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 34.3 ttt180 -134.06 151.51 51.44 Favored 'General case' 0 N--CA 1.466 0.34 0 O-C-N 123.402 0.439 . . . . 0.0 110.653 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -148.23 71.78 0.31 Allowed Glycine 0 C--N 1.338 0.694 0 CA-C-N 115.786 -0.643 . . . . 0.0 112.513 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 16.7 t -99.81 -43.52 6.4 Favored 'General case' 0 C--O 1.235 0.323 0 C-N-CA 122.266 0.226 . . . . 0.0 111.201 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -160.95 -153.26 6.91 Favored Glycine 0 C--N 1.342 0.876 0 O-C-N 123.404 0.44 . . . . 0.0 112.572 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 -129.67 145.39 51.52 Favored 'General case' 0 C--O 1.235 0.316 0 C-N-CA 122.364 0.265 . . . . 0.0 110.968 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -153.47 147.82 17.75 Favored Glycine 0 C--N 1.336 0.573 0 CA-C-N 115.892 -0.594 . . . . 0.0 112.472 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 58.9 mttp -129.21 135.4 48.77 Favored 'General case' 0 C--O 1.235 0.318 0 O-C-N 123.669 0.276 . . . . 0.0 110.986 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 17.7 m120 -132.46 -33.47 1.26 Allowed 'General case' 0 N--CA 1.468 0.425 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.415 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -93.18 -19.39 21.49 Favored 'General case' 0 N--CA 1.468 0.466 0 O-C-N 123.504 0.503 . . . . 0.0 112.1 -179.637 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -65.08 -36.04 83.04 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 112.908 0.707 . . . . 0.0 112.908 -179.311 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.404 ' H ' HD21 ' A' ' 102' ' ' LEU . 0.4 OUTLIER -86.39 -26.74 24.61 Favored 'General case' 0 N--CA 1.473 0.694 0 O-C-N 123.366 0.416 . . . . 0.0 111.888 179.851 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -72.27 -32.84 66.99 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 122.72 0.408 . . . . 0.0 111.852 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -64.71 -41.62 95.86 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 122.841 0.457 . . . . 0.0 111.824 179.569 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.439 ' O ' HD21 ' A' ' 109' ' ' LEU . 12.1 mptt -78.72 -33.35 46.82 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.581 179.81 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -71.57 -38.63 70.92 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.469 179.119 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . 0.446 ' OD2' ' HE3' ' A' ' 111' ' ' LYS . 2.6 t70 -75.87 -37.46 58.88 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.348 179.472 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 16.4 t -70.32 -39.17 74.92 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.072 179.358 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.439 HD21 ' O ' ' A' ' 105' ' ' LYS . 3.7 mm? -72.23 -36.46 69.12 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.109 179.332 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -68.94 -35.19 76.5 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.196 179.086 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.446 ' HE3' ' OD2' ' A' ' 107' ' ' ASP . 95.7 mttt -74.85 -31.34 61.62 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.896 178.849 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -73.5 -32.76 64.45 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.529 178.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.562 HD11 ' OE1' ' A' ' 29' ' ' GLU . 21.7 mt -78.98 -33.09 15.77 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 178.721 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -68.77 -37.65 79.49 Favored 'General case' 0 N--CA 1.472 0.665 0 O-C-N 123.344 0.402 . . . . 0.0 110.353 178.129 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 13.2 t80 -74.13 -35.74 64.13 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.886 178.404 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 7.7 tp -67.97 -34.83 77.3 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.671 178.64 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.517 ' O ' HG13 ' A' ' 120' ' ' ILE . 36.3 tttt -72.95 -39.25 66.36 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.762 179.326 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . 0.476 ' O ' ' HB2' ' A' ' 122' ' ' GLU . 18.0 m-20 -69.32 -29.26 67.05 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.209 177.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.515 ' O ' HG22 ' A' ' 123' ' ' VAL . 13.8 mt -72.62 -42.76 64.11 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.406 179.279 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . 0.517 HG13 ' O ' ' A' ' 117' ' ' LYS . 1.3 pp -70.15 -35.55 63.97 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 O-C-N 123.353 0.408 . . . . 0.0 111.034 178.856 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -73.07 -29.21 62.79 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.373 178.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . 0.476 ' HB2' ' O ' ' A' ' 118' ' ' ASP . 11.0 tt0 -75.79 -37.62 59.01 Favored 'General case' 0 C--N 1.348 0.515 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.354 179.778 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . 0.515 HG22 ' O ' ' A' ' 119' ' ' LEU . 3.1 m -74.37 -33.16 32.91 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 O-C-N 123.3 0.375 . . . . 0.0 110.833 178.64 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 47.3 mtt180 -70.57 -40.48 73.3 Favored 'General case' 0 C--N 1.348 0.512 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.254 178.348 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -74.44 -33.49 62.94 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 115.937 -0.574 . . . . 0.0 112.074 179.66 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -75.31 -43.53 50.38 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 116.071 -0.513 . . . . 0.0 112.318 -179.662 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . 0.478 ' NH1' ' HB3' ' A' ' 65' ' ' LEU . 18.9 ttt180 -117.41 130.82 56.73 Favored 'General case' 0 C--O 1.235 0.309 0 O-C-N 123.381 0.425 . . . . 0.0 110.787 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 149.28 134.43 2.35 Favored Glycine 0 C--N 1.336 0.562 0 CA-C-N 115.779 -0.646 . . . . 0.0 112.473 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -97.75 -40.96 8.3 Favored 'General case' 0 C--O 1.236 0.345 0 C-N-CA 122.317 0.247 . . . . 0.0 111.257 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 59.1 mttp -99.56 131.41 45.57 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.838 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 36.5 ttt180 -99.21 -42.76 6.89 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.916 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 3.8 m -97.41 158.42 33.18 Favored Pre-proline 0 CA--C 1.544 0.746 0 O-C-N 123.428 0.455 . . . . 0.0 111.278 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_exo . . . . . 0 C--N 1.376 1.976 0 C-N-CA 122.574 2.183 . . . . 0.0 112.783 179.848 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.205 0 CA-C-O 119.201 -0.777 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -75.79 141.57 24.58 Favored 'Trans proline' 0 C--N 1.37 1.674 0 C-N-CA 123.059 2.506 . . . . 0.0 112.805 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 27.3 m-90 -110.85 147.29 34.86 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.916 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -111.42 137.86 48.67 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.885 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -112.21 149.69 31.92 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.891 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -98.57 113.81 26.0 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.881 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 53.5 m -138.46 -42.09 0.5 Allowed 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.181 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 60.9 m80 -107.53 -35.11 6.83 Favored 'General case' 0 N--CA 1.466 0.345 0 O-C-N 123.434 0.459 . . . . 0.0 111.557 -179.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.1 pp -91.37 89.56 3.02 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.516 0 CA-C-O 121.237 0.542 . . . . 0.0 111.717 -179.696 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.8 m -149.25 -34.73 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 CA-C-N 115.298 -0.865 . . . . 0.0 111.276 179.615 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 14.8 t -86.48 -12.84 47.82 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.763 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -97.36 -17.39 19.76 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.665 179.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -91.26 -22.04 20.79 Favored 'General case' 0 N--CA 1.47 0.536 0 O-C-N 123.37 0.419 . . . . 0.0 111.703 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.7 m -67.02 -39.04 82.51 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 N-CA-C 112.717 0.636 . . . . 0.0 112.717 -179.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -64.98 -41.4 97.33 Favored Glycine 0 C--N 1.342 0.91 0 O-C-N 123.459 0.474 . . . . 0.0 113.771 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -74.7 -34.66 62.67 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 122.521 0.329 . . . . 0.0 111.42 179.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -74.16 -33.87 63.63 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.919 179.118 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.532 ' O ' HG22 ' A' ' 21' ' ' ILE . 38.0 t -72.24 -38.61 68.88 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.895 178.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -70.38 -37.24 74.5 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.488 179.138 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.484 ' O ' HG13 ' A' ' 23' ' ' VAL . . . -71.91 -38.79 69.87 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.539 179.582 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.532 HG22 ' O ' ' A' ' 18' ' ' CYS . 1.2 tt -71.85 -29.13 32.46 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.815 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.377 179.077 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -71.89 -41.36 55.63 Favored Glycine 0 C--N 1.349 1.269 0 CA-C-N 115.837 -0.62 . . . . 0.0 112.271 178.629 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.484 HG13 ' O ' ' A' ' 20' ' ' ALA . 9.2 p -70.92 -32.09 47.51 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.873 0 CA-C-O 120.652 0.263 . . . . 0.0 110.547 178.871 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -70.54 -38.42 74.2 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 115.802 -0.636 . . . . 0.0 111.138 178.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.425 ' O ' ' HG3' ' A' ' 29' ' ' GLU . 21.5 mt -69.75 -38.47 76.82 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.543 179.414 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 13.3 mt -68.45 -38.36 81.07 Favored 'General case' 0 N--CA 1.471 0.601 0 O-C-N 123.271 0.357 . . . . 0.0 111.224 179.01 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 5.0 t-80 -69.45 -34.51 74.5 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.885 179.025 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.417 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 23.2 mt -74.76 -29.03 61.0 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.205 178.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.425 ' HG3' ' O ' ' A' ' 25' ' ' LEU . 40.9 mt-10 -71.18 -41.14 70.7 Favored 'General case' 0 C--N 1.348 0.509 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.755 178.856 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -69.73 -37.71 76.61 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.75 178.352 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -74.16 -24.24 59.37 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.137 178.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.459 ' O ' ' HB2' ' A' ' 36' ' ' MET . 3.3 tp -76.26 -40.41 51.94 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.695 179.255 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.456 ' O ' ' HD1' ' A' ' 37' ' ' TYR . 4.7 tp -70.3 -38.97 75.11 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.624 178.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -72.05 -34.07 61.95 Favored Glycine 0 C--N 1.343 0.97 0 CA-C-N 115.694 -0.685 . . . . 0.0 112.975 179.044 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -81.35 -23.3 37.84 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 112.271 0.471 . . . . 0.0 112.271 179.557 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.459 ' HB2' ' O ' ' A' ' 32' ' ' LEU . 7.9 ttt -83.2 -38.03 22.83 Favored 'General case' 0 N--CA 1.47 0.561 0 O-C-N 123.251 0.344 . . . . 0.0 111.767 -179.786 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.456 ' HD1' ' O ' ' A' ' 33' ' ' LEU . 34.7 m-85 -81.18 -35.93 30.8 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 112.271 0.471 . . . . 0.0 112.271 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 52.4 m -86.48 -20.24 28.37 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 112.1 0.407 . . . . 0.0 112.1 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 66.8 m80 62.01 112.23 0.02 OUTLIER 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 123.819 0.848 . . . . 0.0 111.859 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -140.4 176.18 8.99 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.54 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -120.36 -43.53 2.51 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.257 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.98 -36.19 81.64 Favored 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 112.942 0.719 . . . . 0.0 112.942 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 13.2 mt -69.63 -32.39 71.05 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 112.357 0.503 . . . . 0.0 112.357 -179.39 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -68.96 -32.09 71.43 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 122.419 0.287 . . . . 0.0 111.591 179.608 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -76.17 -40.95 51.23 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.235 178.612 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 16.7 t -69.1 -37.91 78.66 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.841 178.589 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 15.6 mt -70.74 -36.71 73.29 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.58 179.187 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -67.75 -40.82 84.07 Favored 'General case' 0 N--CA 1.472 0.63 0 O-C-N 123.515 0.509 . . . . 0.0 111.227 179.614 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -71.26 -36.63 63.53 Favored Glycine 0 C--N 1.342 0.887 0 CA-C-N 115.981 -0.554 . . . . 0.0 112.64 179.094 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.593 ' O ' HG21 ' A' ' 54' ' ' VAL . 42.5 mt-10 -71.8 -37.32 70.42 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 122.721 0.408 . . . . 0.0 111.177 179.344 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 20.5 mt -70.55 -34.82 72.67 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.103 179.138 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -71.74 -35.14 70.05 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.071 179.01 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 19.6 p -72.74 -35.05 67.43 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.716 179.226 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.593 HG21 ' O ' ' A' ' 50' ' ' GLU . 80.2 t -74.48 -33.89 34.23 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.279 178.863 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -71.93 -35.81 69.76 Favored 'General case' 0 N--CA 1.471 0.622 0 O-C-N 123.396 0.435 . . . . 0.0 111.216 179.116 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -72.83 -38.88 66.99 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.055 179.086 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 19.1 p -72.56 -31.2 65.07 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.024 178.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.437 ' HB2' ' O ' ' A' ' 54' ' ' VAL . 2.8 tt -71.87 -38.31 70.07 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.567 179.046 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -69.28 -38.61 78.43 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.881 178.755 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.9 -31.32 69.04 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.253 178.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 80.0 mtp -71.5 -41.72 68.93 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.577 179.187 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 2.1 pp -75.56 -26.58 18.35 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 O-C-N 123.379 0.424 . . . . 0.0 111.847 179.592 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.4 tp -83.1 -27.31 30.28 Favored 'General case' 0 CA--C 1.538 0.494 0 O-C-N 123.5 0.5 . . . . 0.0 111.269 179.442 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 -86.78 -30.63 21.42 Favored 'General case' 0 N--CA 1.468 0.47 0 O-C-N 123.346 0.404 . . . . 0.0 111.882 179.719 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 16.7 mt -92.85 -37.81 12.08 Favored 'General case' 0 N--CA 1.468 0.452 0 O-C-N 123.216 0.322 . . . . 0.0 111.492 -179.761 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -118.92 121.78 30.24 Favored Pre-proline 0 CA--C 1.54 0.593 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.96 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_exo -63.25 -36.08 59.25 Favored 'Trans proline' 0 C--N 1.375 1.969 0 C-N-CA 122.54 2.16 . . . . 0.0 113.239 179.425 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 40.9 p 52.16 108.48 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 124.4 1.08 . . . . 0.0 113.02 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -103.47 138.77 39.73 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.754 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -128.24 148.02 50.61 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.961 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -123.68 -42.82 2.17 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.434 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 145.63 55.22 0.02 OUTLIER Glycine 0 C--N 1.342 0.876 0 CA-C-N 116.225 -0.443 . . . . 0.0 112.577 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -129.83 145.4 51.58 Favored 'General case' 0 C--O 1.236 0.353 0 C-N-CA 122.367 0.267 . . . . 0.0 110.878 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -116.35 -42.79 2.99 Favored 'General case' 0 C--O 1.234 0.269 0 O-C-N 123.651 0.594 . . . . 0.0 111.431 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 50.1 m -127.43 131.98 50.16 Favored 'General case' 0 C--O 1.236 0.359 0 O-C-N 123.345 0.403 . . . . 0.0 110.977 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -126.77 -41.3 1.84 Allowed 'General case' 0 C--O 1.234 0.266 0 O-C-N 123.665 0.603 . . . . 0.0 111.634 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 51.9 m -98.0 -42.2 7.62 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.468 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 11.5 t80 -125.42 112.55 25.75 Favored Pre-proline 0 CA--C 1.544 0.738 0 O-C-N 123.337 0.398 . . . . 0.0 110.678 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_exo -66.29 147.45 83.29 Favored 'Trans proline' 0 C--N 1.375 1.968 0 C-N-CA 122.618 2.212 . . . . 0.0 112.855 179.477 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 18.6 p -137.35 129.4 29.16 Favored 'General case' 0 C--O 1.236 0.389 0 O-C-N 123.631 0.582 . . . . 0.0 111.092 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -125.83 -42.56 1.9 Allowed 'General case' 0 C--O 1.236 0.355 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.366 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 121.3 78.84 0.51 Allowed Glycine 0 C--N 1.338 0.691 0 O-C-N 123.422 0.451 . . . . 0.0 112.44 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -125.86 139.84 53.15 Favored 'General case' 0 C--O 1.234 0.259 0 O-C-N 123.602 0.236 . . . . 0.0 111.071 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 54.7 mt-30 -101.25 132.73 46.62 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.856 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -128.65 145.88 51.03 Favored 'General case' 0 N--CA 1.465 0.307 0 O-C-N 123.684 0.615 . . . . 0.0 110.897 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 18.8 p -125.72 141.35 52.05 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.032 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -116.44 130.8 56.96 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.881 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . 62.52 125.26 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 123.902 0.881 . . . . 0.0 112.28 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 5.8 mp -116.93 128.74 55.52 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 115.778 -0.647 . . . . 0.0 110.795 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 4.0 m -140.5 158.22 66.56 Favored Pre-proline 0 CA--C 1.546 0.79 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.281 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_exo -75.54 155.77 40.53 Favored 'Trans proline' 0 C--N 1.376 2.02 0 C-N-CA 122.532 2.155 . . . . 0.0 112.757 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 -129.5 131.04 46.56 Favored 'General case' 0 C--O 1.235 0.313 0 O-C-N 123.663 0.602 . . . . 0.0 110.87 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -117.03 -61.1 0.31 Allowed Glycine 0 C--N 1.336 0.55 0 O-C-N 123.713 0.633 . . . . 0.0 112.465 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 39.1 p -114.1 138.77 49.98 Favored 'General case' 0 C--O 1.236 0.387 0 O-C-N 123.641 0.259 . . . . 0.0 110.929 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 152.0 130.92 1.66 Allowed Glycine 0 C--N 1.336 0.564 0 CA-C-N 115.942 -0.572 . . . . 0.0 112.524 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 32.8 p90 -128.63 -43.72 1.39 Allowed 'General case' 0 N--CA 1.466 0.355 0 O-C-N 123.615 0.244 . . . . 0.0 111.414 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -144.03 -151.66 5.49 Favored Glycine 0 C--N 1.339 0.72 0 CA-C-N 116.189 -0.46 . . . . 0.0 112.506 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 97.9 mttt 64.0 142.68 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 123.946 0.898 . . . . 0.0 112.225 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 43.1 m-80 63.68 15.4 8.93 Favored 'General case' 0 N--CA 1.488 1.442 0 C-N-CA 123.946 0.898 . . . . 0.0 112.617 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -122.53 -34.75 3.2 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.228 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -76.8 -29.63 56.09 Favored 'General case' 0 N--CA 1.47 0.551 0 O-C-N 123.52 0.512 . . . . 0.0 111.727 179.611 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 12.4 mt -82.95 -26.67 31.15 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.88 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -72.67 -34.82 67.49 Favored 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 112.165 0.431 . . . . 0.0 112.165 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -64.78 -44.24 90.64 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 122.807 0.443 . . . . 0.0 111.729 179.691 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.495 ' O ' HD23 ' A' ' 109' ' ' LEU . 58.7 mttp -75.84 -33.95 60.07 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.381 179.76 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -71.59 -34.93 70.32 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.573 179.182 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -75.88 -38.17 58.14 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.409 179.663 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 51.4 m -68.82 -40.63 79.41 Favored 'General case' 0 N--CA 1.471 0.603 0 O-C-N 123.3 0.375 . . . . 0.0 111.433 179.425 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.495 HD23 ' O ' ' A' ' 105' ' ' LYS . 4.3 mm? -73.02 -36.32 66.95 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.316 179.34 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . 0.418 ' O ' ' HG3' ' A' ' 114' ' ' GLN . . . -68.46 -34.8 76.59 Favored 'General case' 0 N--CA 1.471 0.582 0 O-C-N 123.393 0.433 . . . . 0.0 111.294 179.27 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.477 ' O ' ' HD1' ' A' ' 115' ' ' TYR . 21.7 mmtp -73.36 -35.95 66.05 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.795 178.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.468 ' O ' ' HB2' ' A' ' 116' ' ' LEU . 44.5 mt-10 -70.5 -31.2 68.2 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.288 178.872 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 29.0 mt -77.97 -32.89 17.84 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 178.435 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . 0.418 ' HG3' ' O ' ' A' ' 110' ' ' ALA . 53.1 mt-30 -67.24 -39.61 86.21 Favored 'General case' 0 N--CA 1.472 0.637 0 O-C-N 123.382 0.426 . . . . 0.0 110.82 178.556 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . 0.477 ' HD1' ' O ' ' A' ' 111' ' ' LYS . 23.4 m-85 -74.31 -35.82 63.68 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.03 178.139 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.613 ' O ' HG12 ' A' ' 120' ' ' ILE . 4.8 tp -68.05 -40.06 82.88 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 115.305 -0.861 . . . . 0.0 110.708 178.801 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -71.16 -33.46 70.03 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.813 179.027 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -68.67 -34.55 75.87 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.68 178.203 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 12.5 mt -72.03 -36.78 69.77 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.3 179.017 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . 0.613 HG12 ' O ' ' A' ' 116' ' ' LEU . 46.6 mm -69.67 -35.52 66.14 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 O-C-N 123.398 0.436 . . . . 0.0 110.18 178.384 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -72.89 -32.2 65.2 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.367 179.117 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -75.5 -33.02 60.73 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.557 179.468 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . 0.53 HG11 ' O ' ' A' ' 120' ' ' ILE . 10.0 p -76.93 -34.43 22.25 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.775 0 O-C-N 123.327 0.392 . . . . 0.0 110.45 178.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . 0.403 HH22 ' HG ' ' A' ' 18' ' ' CYS . 95.7 mtt180 -71.06 -38.03 72.49 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.153 178.453 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 53.8 tttt -74.03 -38.24 64.09 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.637 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -75.29 -41.8 56.25 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 116.152 -0.476 . . . . 0.0 112.184 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 23.5 mtp180 -123.99 138.22 54.49 Favored 'General case' 0 C--O 1.236 0.366 0 O-C-N 123.31 0.381 . . . . 0.0 110.881 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 102.12 145.51 16.32 Favored Glycine 0 C--N 1.336 0.56 0 CA-C-N 115.885 -0.598 . . . . 0.0 112.386 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -99.56 129.73 45.74 Favored 'General case' 0 C--O 1.235 0.333 0 C-N-CA 122.335 0.254 . . . . 0.0 110.86 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -102.18 130.67 48.89 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.853 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 62.97 125.19 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.303 0 C-N-CA 123.881 0.872 . . . . 0.0 112.054 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 3.9 m -120.69 158.78 50.91 Favored Pre-proline 0 CA--C 1.545 0.762 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.224 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 6.6 Cg_exo . . . . . 0 C--N 1.376 2.013 0 C-N-CA 122.62 2.214 . . . . 0.0 112.721 179.938 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.145 0 CA-C-O 119.237 -0.757 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 4.7 Cg_exo -76.06 135.94 17.76 Favored 'Trans proline' 0 C--N 1.371 1.736 0 C-N-CA 123.073 2.515 . . . . 0.0 112.798 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 31.2 m-90 -101.9 140.14 36.59 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.728 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 54.4 tttt -101.77 138.69 38.42 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.423 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -101.46 129.85 47.59 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.594 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -112.83 124.39 52.47 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.776 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 52.7 m -135.19 -41.99 0.72 Allowed 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.465 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 67.5 m-70 -126.67 -30.65 2.77 Favored 'General case' 0 N--CA 1.467 0.417 0 O-C-N 123.42 0.45 . . . . 0.0 111.826 -179.615 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.1 pp -87.71 89.94 3.19 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.566 0 CA-C-O 121.191 0.52 . . . . 0.0 111.7 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.6 m -149.83 -37.51 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 CA-C-N 115.313 -0.858 . . . . 0.0 111.27 179.756 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 14.9 t -89.54 -15.25 33.34 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.738 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -96.65 -14.45 22.12 Favored 'General case' 0 C--O 1.236 0.37 0 O-C-N 123.239 0.337 . . . . 0.0 111.826 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -93.04 -22.28 19.23 Favored 'General case' 0 N--CA 1.468 0.468 0 O-C-N 123.355 0.409 . . . . 0.0 111.848 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.7 m -66.04 -39.81 85.53 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.951 0 N-CA-C 112.789 0.663 . . . . 0.0 112.789 -179.648 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -70.68 -40.53 65.76 Favored Glycine 0 C--N 1.343 0.943 0 CA-C-N 116.185 -0.461 . . . . 0.0 113.389 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -73.58 -35.3 65.42 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 122.61 0.364 . . . . 0.0 111.581 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.652 ' O ' HG12 ' A' ' 21' ' ' ILE . 92.5 mttt -71.76 -36.62 70.44 Favored 'General case' 0 N--CA 1.469 0.521 0 O-C-N 123.476 0.485 . . . . 0.0 111.225 179.328 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 89.4 m -72.08 -36.86 69.63 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.008 179.099 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.547 ' O ' HG23 ' A' ' 23' ' ' VAL . 41.6 mt-10 -70.03 -34.3 73.09 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.464 178.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.81 -41.19 65.16 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.789 179.608 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.652 HG12 ' O ' ' A' ' 17' ' ' LYS . 32.2 mm -72.4 -27.19 25.63 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 N-CA-C 109.811 -0.441 . . . . 0.0 109.811 178.727 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -70.34 -44.95 57.48 Favored Glycine 0 C--N 1.348 1.25 0 O-C-N 123.594 0.559 . . . . 0.0 112.34 178.557 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.547 HG23 ' O ' ' A' ' 19' ' ' GLU . 3.1 m -71.31 -33.04 49.0 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 CA-C-O 120.665 0.269 . . . . 0.0 111.254 179.018 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.444 ' O ' ' HB2' ' A' ' 28' ' ' LEU . 96.6 mttt -73.57 -33.48 64.68 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.911 178.735 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.449 ' HB2' ' O ' ' A' ' 21' ' ' ILE . 4.8 tp -69.78 -40.64 75.92 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.9 178.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.6 mt -68.9 -40.47 79.11 Favored 'General case' 0 N--CA 1.473 0.686 0 O-C-N 123.392 0.433 . . . . 0.0 110.995 179.104 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 5.0 t-80 -70.11 -31.59 69.22 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.623 178.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.479 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 3.6 tp -74.86 -29.25 60.97 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.775 178.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.437 ' HG3' ' O ' ' A' ' 25' ' ' LEU . 41.2 mt-10 -72.74 -41.11 65.49 Favored 'General case' 0 N--CA 1.47 0.56 0 O-C-N 123.471 0.482 . . . . 0.0 110.829 178.823 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -69.35 -37.47 77.67 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.596 178.533 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -74.21 -26.2 60.12 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.965 178.581 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.479 ' HB2' ' O ' ' A' ' 28' ' ' LEU . 3.3 tt -72.49 -40.82 66.6 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.68 179.163 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.437 ' O ' ' HD2' ' A' ' 37' ' ' TYR . 4.9 tp -70.67 -39.9 73.28 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.439 178.831 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -72.04 -26.88 71.42 Favored Glycine 0 C--N 1.343 0.924 0 CA-C-N 115.713 -0.676 . . . . 0.0 112.949 178.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -81.15 -33.07 33.39 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 122.68 0.392 . . . . 0.0 111.993 179.572 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 47.8 mtt -79.91 -33.45 39.81 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 112.286 0.476 . . . . 0.0 112.286 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.437 ' HD2' ' O ' ' A' ' 33' ' ' LEU . 24.4 m-85 -81.17 -41.6 22.13 Favored 'General case' 0 N--CA 1.472 0.635 0 O-C-N 123.291 0.369 . . . . 0.0 111.886 179.719 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 14.1 t -86.81 -18.4 31.1 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.82 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 72.5 m-70 62.62 113.67 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 123.889 0.876 . . . . 0.0 111.876 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -140.97 167.96 20.93 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.88 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -114.95 -41.38 3.36 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.382 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.95 -30.56 70.72 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 112.826 0.676 . . . . 0.0 112.826 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.461 ' O ' ' HB2' ' A' ' 47' ' ' LEU . 3.6 mt -69.95 -28.48 65.6 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 112.594 0.591 . . . . 0.0 112.594 -179.675 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 45.3 m-85 -74.24 -35.79 63.86 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 122.41 0.284 . . . . 0.0 111.517 179.287 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 13.7 tt0 -72.14 -41.65 66.91 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.515 179.27 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 54.2 m -69.1 -33.71 73.93 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.052 178.675 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.461 ' HB2' ' O ' ' A' ' 43' ' ' LEU . 2.2 tt -70.75 -36.23 73.02 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.128 179.244 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 54.3 mt-30 -71.42 -38.98 71.37 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.403 179.513 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -71.32 -36.38 63.37 Favored Glycine 0 C--N 1.344 0.981 0 CA-C-N 116.059 -0.519 . . . . 0.0 112.62 179.181 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.546 ' O ' HG21 ' A' ' 54' ' ' VAL . 42.2 mt-10 -72.03 -35.97 69.52 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 122.717 0.407 . . . . 0.0 111.093 179.247 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.8 tp -71.32 -34.98 71.05 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.79 179.2 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 54.1 mt-30 -72.97 -33.01 65.6 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.22 178.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 19.6 p -74.52 -34.59 63.06 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.494 179.12 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.546 HG21 ' O ' ' A' ' 50' ' ' GLU . 97.3 t -74.83 -34.04 32.25 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 O-C-N 123.373 0.421 . . . . 0.0 110.271 178.884 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -72.69 -36.71 67.93 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.238 179.081 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -73.12 -36.01 66.64 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.259 179.07 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 18.4 p -74.06 -33.23 63.62 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.09 178.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.7 tp -71.85 -39.39 69.75 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.523 179.236 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.405 ' O ' HG13 ' A' ' 62' ' ' ILE . 47.1 mt-30 -69.76 -37.83 76.54 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.993 178.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.98 -31.04 68.53 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 115.723 -0.672 . . . . 0.0 111.236 178.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.511 ' O ' ' HB2' ' A' ' 65' ' ' LEU . 4.6 tmm? -72.1 -43.72 64.33 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.994 179.223 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.405 HG13 ' O ' ' A' ' 59' ' ' GLN . 1.4 pt -75.31 -22.64 16.7 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 O-C-N 123.355 0.409 . . . . 0.0 111.644 179.247 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.9 tp -80.66 -32.78 35.98 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.47 178.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -88.82 -17.35 29.91 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.082 178.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.511 ' HB2' ' O ' ' A' ' 61' ' ' MET . 2.8 tt -76.19 -36.91 58.43 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 122.969 0.508 . . . . 0.0 111.455 179.506 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -95.92 158.39 34.28 Favored Pre-proline 0 CA--C 1.541 0.609 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.888 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_exo -73.57 135.53 22.14 Favored 'Trans proline' 0 C--N 1.376 1.979 0 C-N-CA 122.522 2.148 . . . . 0.0 112.779 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 7.3 t -138.84 149.14 44.58 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 115.822 -0.627 . . . . 0.0 111.089 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -124.27 135.08 53.13 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.915 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -128.01 146.63 50.61 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.599 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -99.88 132.01 45.5 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.026 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 106.06 117.37 4.28 Favored Glycine 0 C--N 1.337 0.601 0 CA-C-N 115.868 -0.606 . . . . 0.0 112.52 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -120.24 131.35 54.91 Favored 'General case' 0 C--O 1.235 0.331 0 O-C-N 123.608 0.24 . . . . 0.0 110.786 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -111.28 138.53 47.63 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.037 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 53.7 m -99.64 -42.23 6.97 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.291 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -119.53 138.56 53.1 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.025 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 51.7 m -115.92 130.19 56.72 Favored 'General case' 0 C--O 1.235 0.303 0 O-C-N 123.601 0.563 . . . . 0.0 110.941 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 91.1 m-85 -129.86 157.73 75.91 Favored Pre-proline 0 CA--C 1.539 0.557 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.759 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -74.73 126.29 10.04 Favored 'Trans proline' 0 C--N 1.376 1.974 0 C-N-CA 122.513 2.142 . . . . 0.0 112.738 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 18.5 p -141.59 -48.11 0.38 Allowed 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.239 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -129.05 148.93 51.05 Favored 'General case' 0 C--O 1.234 0.288 0 O-C-N 123.447 0.467 . . . . 0.0 111.156 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -109.21 -63.34 0.54 Allowed Glycine 0 C--N 1.336 0.582 0 O-C-N 123.677 0.611 . . . . 0.0 112.473 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -125.92 148.93 49.09 Favored 'General case' 0 C--O 1.236 0.374 0 O-C-N 123.663 0.273 . . . . 0.0 111.039 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -98.46 141.0 31.87 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.953 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -102.6 147.13 27.17 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.931 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 7.5 t -136.21 152.59 50.93 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.103 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -99.71 138.66 36.49 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.818 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . 61.5 120.08 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 123.916 0.886 . . . . 0.0 112.313 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 11.8 mt -132.17 143.54 50.04 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.792 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 3.1 m -125.96 93.93 42.85 Favored Pre-proline 0 CA--C 1.548 0.866 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.308 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_exo -72.14 -36.87 5.22 Favored 'Trans proline' 0 C--N 1.372 1.805 0 C-N-CA 122.652 2.234 . . . . 0.0 113.051 179.559 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 62.97 127.08 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 123.941 0.896 . . . . 0.0 112.012 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 159.72 61.1 0.01 OUTLIER Glycine 0 C--N 1.338 0.69 0 CA-C-N 115.806 -0.633 . . . . 0.0 112.468 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 53.1 m -107.15 144.53 33.75 Favored 'General case' 0 C--O 1.234 0.265 0 C-N-CA 122.319 0.247 . . . . 0.0 110.866 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -157.41 75.35 0.21 Allowed Glycine 0 C--N 1.337 0.632 0 CA-C-N 115.776 -0.647 . . . . 0.0 112.527 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -106.11 132.53 52.07 Favored 'General case' 0 C--O 1.236 0.386 0 O-C-N 123.608 0.24 . . . . 0.0 110.932 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 100.18 -154.87 19.52 Favored Glycine 0 C--N 1.337 0.62 0 O-C-N 123.63 0.581 . . . . 0.0 112.669 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 59.0 mttp -124.05 -42.15 2.17 Favored 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 122.303 0.241 . . . . 0.0 111.157 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . 0.413 ' C ' ' H ' ' A' ' 101' ' ' ALA . 42.0 m-80 -98.21 155.5 17.14 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.928 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 71.13 -28.04 0.18 Allowed 'General case' 0 N--CA 1.49 1.539 0 C-N-CA 124.347 1.059 . . . . 0.0 112.809 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.413 ' H ' ' C ' ' A' ' 99' ' ' ASN . . . -76.97 -30.42 55.97 Favored 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 112.211 0.449 . . . . 0.0 112.211 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 13.1 mt -86.28 -30.23 22.45 Favored 'General case' 0 N--CA 1.471 0.622 0 O-C-N 123.425 0.453 . . . . 0.0 111.597 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -74.14 -39.78 63.07 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 122.675 0.39 . . . . 0.0 111.723 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -64.68 -39.12 93.13 Favored 'General case' 0 N--CA 1.474 0.742 0 O-C-N 123.421 0.451 . . . . 0.0 111.659 179.507 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -76.11 -35.86 59.13 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.544 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -71.41 -38.29 71.45 Favored 'General case' 0 N--CA 1.47 0.552 0 O-C-N 123.473 0.483 . . . . 0.0 111.561 179.495 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -75.65 -33.46 60.46 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.624 179.384 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 57.9 m -71.66 -39.16 70.51 Favored 'General case' 0 N--CA 1.47 0.558 0 O-C-N 123.188 0.305 . . . . 0.0 111.227 179.306 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 21.7 mt -72.82 -37.59 67.44 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.206 179.344 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -69.47 -34.71 74.77 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.392 179.195 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.464 ' O ' ' HD2' ' A' ' 115' ' ' TYR . 93.4 mttt -74.99 -32.24 61.62 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.902 179.018 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -73.25 -32.7 64.87 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.404 178.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 27.1 mt -78.62 -33.01 16.5 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 178.575 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -69.59 -36.69 76.46 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.809 178.565 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . 0.464 ' HD2' ' O ' ' A' ' 111' ' ' LYS . 9.5 m-85 -75.55 -35.89 60.56 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.25 177.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 9.8 tp -70.34 -39.46 74.68 Favored 'General case' 0 C--O 1.239 0.529 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.913 179.107 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 92.5 mttt -72.38 -36.07 68.62 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.806 179.181 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -69.26 -33.55 73.41 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.067 178.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.567 ' O ' HG23 ' A' ' 123' ' ' VAL . 17.7 mt -70.82 -43.71 68.02 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.381 179.549 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . 0.441 ' O ' ' HB2' ' A' ' 124' ' ' ARG . 1.9 pp -70.59 -30.75 43.78 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 O-C-N 123.222 0.326 . . . . 0.0 111.29 179.174 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -73.22 -33.06 65.13 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.452 178.593 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -73.78 -39.02 64.48 Favored 'General case' 0 N--CA 1.472 0.671 0 O-C-N 123.389 0.43 . . . . 0.0 111.501 179.64 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . 0.567 HG23 ' O ' ' A' ' 119' ' ' LEU . 22.2 t -73.7 -34.74 42.01 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 CA-C-N 116.327 -0.397 . . . . 0.0 109.979 178.862 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . 0.441 ' HB2' ' O ' ' A' ' 120' ' ' ILE . 38.7 ttt180 -70.95 -40.39 72.04 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.203 179.048 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -74.2 -30.25 62.12 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.95 179.614 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -75.09 -41.03 59.56 Favored 'General case' 0 N--CA 1.47 0.538 0 O-C-N 123.419 0.449 . . . . 0.0 112.089 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 33.3 ttt180 -119.84 128.4 53.64 Favored 'General case' 0 C--O 1.234 0.269 0 O-C-N 123.333 0.396 . . . . 0.0 110.637 179.767 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 167.55 144.63 4.21 Favored Glycine 0 C--N 1.337 0.594 0 CA-C-N 115.778 -0.647 . . . . 0.0 112.42 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -103.6 145.25 30.33 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 120.63 0.252 . . . . 0.0 110.87 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -129.48 131.12 46.61 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.787 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 76.5 mtp180 -107.53 128.4 54.48 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.995 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . 0.53 ' H ' ' HD3' ' A' ' 133' ' ' PRO . 3.6 m -115.55 -31.8 0.1 OUTLIER Pre-proline 0 CA--C 1.553 1.087 0 CA-C-O 118.13 -0.938 . . . . 0.0 113.333 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . 0.53 ' HD3' ' H ' ' A' ' 132' ' ' VAL . 2.9 Cg_exo . . . . . 0 C--N 1.382 2.325 0 C-N-CA 122.058 1.839 . . . . 0.0 112.743 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.237 0 CA-C-O 119.216 -0.769 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.461 ' HB2' ' CE3' ' A' ' 3' ' ' TRP . 5.3 Cg_exo -75.57 -36.04 2.44 Favored 'Trans proline' 0 C--N 1.369 1.609 0 C-N-CA 123.052 2.501 . . . . 0.0 113.077 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.461 ' CE3' ' HB2' ' A' ' 2' ' ' PRO . 30.5 m-90 -115.48 131.76 56.83 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.904 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 29.5 tttp -113.66 135.47 53.89 Favored 'General case' 0 C--O 1.234 0.285 0 O-C-N 123.611 0.57 . . . . 0.0 110.593 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -112.5 124.6 52.87 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.088 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 56.67 104.2 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 123.881 0.872 . . . . 0.0 112.224 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 49.2 m -135.85 -44.84 0.66 Allowed 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.734 179.608 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 62.6 m80 -126.66 96.91 4.81 Favored 'General case' 0 C--O 1.238 0.464 0 CA-C-O 121.18 0.514 . . . . 0.0 110.302 179.439 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.2 pp -143.05 2.05 0.36 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.544 0 CA-C-N 115.392 -0.822 . . . . 0.0 111.763 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 10.0 m -89.7 50.35 0.1 OUTLIER 'Isoleucine or valine' 0 CA--C 1.542 0.671 0 CA-C-O 121.219 0.533 . . . . 0.0 111.185 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 15.2 t -128.07 -39.64 1.73 Allowed 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.4 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -92.71 -21.97 19.67 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 116.27 -0.423 . . . . 0.0 112.095 -179.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -91.55 -22.41 20.36 Favored 'General case' 0 N--CA 1.468 0.438 0 O-C-N 123.267 0.354 . . . . 0.0 111.865 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.0 m -77.49 -40.84 29.02 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 N-CA-C 112.367 0.506 . . . . 0.0 112.367 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.523 ' O ' ' HB2' ' A' ' 19' ' ' GLU . . . -68.77 -36.82 83.28 Favored Glycine 0 C--N 1.342 0.874 0 CA-C-N 116.187 -0.46 . . . . 0.0 113.847 -179.512 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -75.26 -39.59 59.66 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 122.468 0.307 . . . . 0.0 111.665 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.649 ' O ' HG12 ' A' ' 21' ' ' ILE . 66.6 mttm -71.24 -37.94 71.97 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.18 179.574 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 99.5 m -72.51 -33.11 66.68 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.665 178.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.554 ' O ' HG22 ' A' ' 23' ' ' VAL . 9.0 tt0 -69.93 -33.88 72.73 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.717 178.59 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.15 -39.97 68.37 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.475 178.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.649 HG12 ' O ' ' A' ' 17' ' ' LYS . 33.5 mm -71.94 -27.37 27.29 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.98 178.563 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.35 -44.38 42.71 Favored Glycine 0 C--N 1.346 1.087 0 CA-C-N 116.09 -0.504 . . . . 0.0 112.576 178.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.554 HG22 ' O ' ' A' ' 19' ' ' GLU . 3.0 m -71.16 -34.02 53.19 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 CA-C-O 120.652 0.263 . . . . 0.0 111.295 179.22 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.403 ' O ' ' HB2' ' A' ' 28' ' ' LEU . 96.8 mttt -72.62 -33.51 66.7 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.86 178.816 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.438 ' HB2' ' O ' ' A' ' 21' ' ' ILE . 4.5 tp -70.11 -39.96 75.17 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 123.01 0.524 . . . . 0.0 111.084 179.162 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.9 mt -69.32 -41.01 77.27 Favored 'General case' 0 N--CA 1.473 0.699 0 O-C-N 123.396 0.435 . . . . 0.0 111.334 179.351 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 18.0 m-70 -70.91 -31.48 68.12 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.213 178.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.51 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 4.6 tp -74.83 -31.75 61.75 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.968 179.152 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -72.4 -40.74 66.97 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.943 179.16 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -69.7 -38.25 76.89 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.378 178.673 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -74.2 -24.38 59.34 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.215 178.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.533 ' O ' ' HB2' ' A' ' 36' ' ' MET . 2.4 tt -75.64 -39.67 57.42 Favored 'General case' 0 N--CA 1.471 0.599 0 O-C-N 123.49 0.494 . . . . 0.0 110.663 179.214 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.457 ' O ' ' HD1' ' A' ' 37' ' ' TYR . 5.6 tp -70.36 -40.75 73.87 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.39 178.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -70.27 -33.44 68.8 Favored Glycine 0 C--N 1.342 0.904 0 CA-C-N 115.616 -0.72 . . . . 0.0 112.663 179.112 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -81.3 -23.3 37.97 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 122.607 0.363 . . . . 0.0 111.725 179.274 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.533 ' HB2' ' O ' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -80.01 -34.89 38.05 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.759 179.853 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.457 ' HD1' ' O ' ' A' ' 33' ' ' LEU . 20.6 m-85 -79.51 -36.81 37.97 Favored 'General case' 0 N--CA 1.471 0.618 0 O-C-N 123.489 0.493 . . . . 0.0 112.055 179.722 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 80.4 p -86.49 -26.24 24.71 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 112.066 0.395 . . . . 0.0 112.066 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 71.3 m-70 63.79 111.64 0.03 OUTLIER 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 123.898 0.879 . . . . 0.0 111.789 -179.645 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -140.3 165.01 28.55 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.863 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -102.57 -40.71 6.53 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.553 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.78 -35.04 79.16 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 112.837 0.68 . . . . 0.0 112.837 -179.644 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.426 ' O ' ' HB2' ' A' ' 47' ' ' LEU . 4.0 mt -69.95 -28.43 65.56 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 112.371 0.508 . . . . 0.0 112.371 -179.607 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -73.78 -34.76 64.81 Favored 'General case' 0 N--CA 1.472 0.646 0 O-C-N 123.256 0.348 . . . . 0.0 111.421 179.165 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -72.54 -41.72 65.5 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.541 179.075 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 16.9 t -69.13 -32.27 71.53 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.744 178.414 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.426 ' HB2' ' O ' ' A' ' 43' ' ' LEU . 5.1 tp -70.65 -37.01 73.68 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.099 179.019 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 11.9 mm100 -71.17 -38.09 72.17 Favored 'General case' 0 N--CA 1.473 0.68 0 O-C-N 123.67 0.606 . . . . 0.0 111.354 179.376 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -71.53 -36.03 62.7 Favored Glycine 0 C--N 1.345 1.034 0 CA-C-N 115.936 -0.575 . . . . 0.0 112.718 179.044 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.582 ' O ' HG23 ' A' ' 54' ' ' VAL . 42.4 mt-10 -72.43 -35.86 68.44 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 122.734 0.414 . . . . 0.0 111.063 179.216 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.9 tt -70.4 -37.22 74.45 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.616 179.126 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -72.59 -31.28 65.08 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.119 179.032 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 17.5 p -75.03 -33.78 61.81 Favored 'General case' 0 N--CA 1.471 0.597 0 O-C-N 123.47 0.481 . . . . 0.0 111.51 179.047 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.582 HG23 ' O ' ' A' ' 50' ' ' GLU . 84.2 t -74.49 -35.01 37.38 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 O-C-N 123.333 0.396 . . . . 0.0 110.318 179.059 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 83.0 mttt -72.69 -37.21 67.94 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.282 178.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -72.89 -33.29 65.94 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.265 179.156 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 12.9 p -74.71 -33.95 62.49 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.094 178.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.8 tt -70.61 -39.39 73.79 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.413 179.027 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.5 ' O ' HG13 ' A' ' 62' ' ' ILE . 46.7 mt-30 -69.53 -38.2 77.42 Favored 'General case' 0 C--N 1.348 0.541 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.675 178.635 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.83 -28.56 65.8 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.245 178.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.51 ' O ' ' HB2' ' A' ' 65' ' ' LEU . 74.1 mtp -73.18 -43.11 61.93 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.281 178.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.5 HG13 ' O ' ' A' ' 59' ' ' GLN . 0.8 OUTLIER -74.1 -26.53 21.03 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 CA-C-N 116.131 -0.486 . . . . 0.0 112.006 179.805 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 22.8 mt -84.7 -28.83 26.07 Favored 'General case' 0 N--CA 1.468 0.459 0 O-C-N 123.355 0.409 . . . . 0.0 111.44 179.053 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -92.43 -14.2 28.92 Favored 'General case' 0 CA--C 1.536 0.431 0 O-C-N 123.378 0.424 . . . . 0.0 111.466 179.488 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.51 ' HB2' ' O ' ' A' ' 61' ' ' MET . 1.9 tt -66.26 -39.73 89.65 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 122.683 0.393 . . . . 0.0 111.645 179.751 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 -106.82 104.57 52.04 Favored Pre-proline 0 CA--C 1.543 0.678 0 O-C-N 123.466 0.479 . . . . 0.0 110.493 179.614 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_exo -67.24 -39.2 13.61 Favored 'Trans proline' 0 C--N 1.374 1.912 0 C-N-CA 122.567 2.178 . . . . 0.0 113.467 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 17.8 p -141.43 151.54 43.51 Favored 'General case' 0 N--CA 1.466 0.366 0 O-C-N 123.265 0.353 . . . . 0.0 111.312 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.703 ' HZ3' ' HZ1' ' A' ' 130' ' ' LYS . 96.9 mttt -130.76 130.52 43.85 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.685 179.703 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -105.29 129.66 53.59 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.017 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . 69.64 -54.31 0.6 Allowed 'General case' 0 N--CA 1.485 1.321 0 C-N-CA 124.454 1.102 . . . . 0.0 112.623 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 98.93 147.01 21.4 Favored Glycine 0 C--N 1.34 0.786 0 C-N-CA 121.46 -0.4 . . . . 0.0 112.498 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -112.44 137.39 50.7 Favored 'General case' 0 C--O 1.236 0.354 0 O-C-N 123.622 0.248 . . . . 0.0 110.959 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -126.45 146.89 49.91 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.027 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 40.5 p -100.39 130.04 46.44 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.029 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -126.73 146.04 50.37 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.108 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 51.8 m -128.12 139.11 52.68 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.995 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 82.3 m-85 -99.85 -44.4 0.22 Allowed Pre-proline 0 CA--C 1.544 0.715 0 CA-C-O 118.636 -0.697 . . . . 0.0 112.279 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo -76.7 152.54 33.15 Favored 'Trans proline' 0 C--N 1.38 2.23 0 C-N-CA 122.362 2.041 . . . . 0.0 112.78 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 18.7 p -138.0 124.7 20.99 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.033 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -126.01 141.74 51.83 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.101 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -130.68 54.53 0.79 Allowed Glycine 0 C--N 1.339 0.702 0 CA-C-N 115.864 -0.607 . . . . 0.0 112.587 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -127.74 138.23 52.7 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 120.649 0.261 . . . . 0.0 111.015 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 -128.92 129.0 44.92 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.767 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -130.61 141.45 50.44 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.837 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 18.5 p -137.62 137.74 38.79 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.044 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -112.17 136.61 51.35 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.871 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . 61.16 118.34 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 123.928 0.891 . . . . 0.0 112.33 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 5.8 mp -132.21 -43.61 0.95 Allowed 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.192 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 3.3 m -139.45 105.52 7.09 Favored Pre-proline 0 CA--C 1.546 0.819 0 O-C-N 123.439 0.462 . . . . 0.0 111.233 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_exo -63.74 137.04 56.64 Favored 'Trans proline' 0 C--N 1.374 1.919 0 C-N-CA 122.675 2.25 . . . . 0.0 112.931 179.556 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -116.07 147.3 41.42 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.905 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 153.96 -152.94 24.47 Favored Glycine 0 C--N 1.336 0.563 0 CA-C-N 115.828 -0.624 . . . . 0.0 112.595 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 16.1 t -106.02 131.06 53.76 Favored 'General case' 0 C--O 1.235 0.315 0 C-N-CA 122.353 0.261 . . . . 0.0 110.735 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 145.21 137.62 3.16 Favored Glycine 0 C--N 1.338 0.655 0 CA-C-N 115.916 -0.583 . . . . 0.0 112.552 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 -99.89 131.21 46.0 Favored 'General case' 0 C--O 1.234 0.255 0 C-N-CA 122.378 0.271 . . . . 0.0 110.862 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 122.41 97.52 1.4 Allowed Glycine 0 C--N 1.338 0.64 0 CA-C-N 115.849 -0.614 . . . . 0.0 112.403 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -101.06 145.51 28.64 Favored 'General case' 0 N--CA 1.464 0.273 0 O-C-N 123.619 0.246 . . . . 0.0 110.808 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 44.1 m-80 -113.58 124.26 51.92 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.825 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -134.91 -38.58 0.79 Allowed 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.993 179.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -76.76 -29.67 56.21 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 116.015 -0.538 . . . . 0.0 111.51 179.41 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 19.4 mt -84.34 -26.39 28.5 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.856 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -70.31 -35.86 73.93 Favored 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 112.131 0.419 . . . . 0.0 112.131 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -64.51 -43.13 95.07 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 122.658 0.383 . . . . 0.0 111.762 179.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -75.91 -33.62 59.9 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.523 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -71.67 -37.95 70.7 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.589 179.341 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -75.82 -34.42 60.13 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.707 179.431 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 71.2 m -71.2 -40.37 71.22 Favored 'General case' 0 N--CA 1.471 0.615 0 O-C-N 123.211 0.32 . . . . 0.0 111.305 179.302 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 22.3 mt -73.73 -35.33 65.05 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.333 179.361 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -70.99 -33.91 70.86 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.423 179.295 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 62.5 mttm -76.1 -32.94 59.46 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.849 178.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.51 ' O ' ' HB2' ' A' ' 116' ' ' LEU . 42.0 mt-10 -73.87 -32.38 63.6 Favored 'General case' 0 N--CA 1.471 0.586 0 O-C-N 123.579 0.55 . . . . 0.0 111.739 178.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 34.3 mt -80.07 -33.2 14.27 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 O-C-N 123.368 0.418 . . . . 0.0 110.243 178.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -70.66 -36.15 73.22 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-O 120.84 0.352 . . . . 0.0 110.088 177.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 11.9 t80 -74.22 -35.45 63.89 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 115.338 -0.846 . . . . 0.0 109.728 178.261 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.51 ' HB2' ' O ' ' A' ' 112' ' ' GLU . 1.7 tt -67.48 -36.22 80.69 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.82 178.691 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -72.1 -39.64 68.77 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.007 179.232 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . 0.512 ' O ' ' HB2' ' A' ' 122' ' ' GLU . 9.1 m-20 -69.38 -29.38 67.14 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.355 178.274 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.499 ' O ' HG22 ' A' ' 123' ' ' VAL . 18.6 mt -73.12 -42.81 62.51 Favored 'General case' 0 N--CA 1.47 0.534 0 O-C-N 123.399 0.437 . . . . 0.0 111.3 179.425 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 2.2 pp -70.71 -36.4 64.87 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 O-C-N 123.374 0.421 . . . . 0.0 111.196 179.264 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -73.13 -29.4 62.86 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.375 179.111 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . 0.512 ' HB2' ' O ' ' A' ' 118' ' ' ASP . 10.4 tt0 -76.08 -36.81 58.81 Favored 'General case' 0 C--N 1.347 0.475 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.418 179.833 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . 0.499 HG22 ' O ' ' A' ' 119' ' ' LEU . 3.9 m -75.27 -33.47 28.3 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 O-C-N 123.275 0.359 . . . . 0.0 110.942 178.659 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 74.3 mtp180 -70.95 -39.64 72.47 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.158 178.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -74.33 -39.21 62.98 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.83 179.464 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -75.47 -40.46 57.37 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 116.028 -0.533 . . . . 0.0 112.29 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 71.55 -48.56 0.68 Allowed 'General case' 0 N--CA 1.488 1.447 0 C-N-CA 124.427 1.091 . . . . 0.0 112.385 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -161.06 42.27 0.41 Allowed Glycine 0 C--N 1.34 0.794 0 C-N-CA 121.42 -0.419 . . . . 0.0 112.98 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -136.48 129.07 30.51 Favored 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 122.316 0.246 . . . . 0.0 110.695 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . 0.703 ' HZ1' ' HZ3' ' A' ' 69' ' ' LYS . 94.5 mttt -103.61 148.09 26.43 Favored 'General case' 0 C--O 1.235 0.308 0 O-C-N 123.647 0.592 . . . . 0.0 111.05 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? -126.51 -46.42 1.6 Allowed 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.193 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . 0.514 ' H ' ' HD3' ' A' ' 133' ' ' PRO . 4.0 m -112.63 -32.02 0.12 Allowed Pre-proline 0 CA--C 1.553 1.095 0 N-CA-C 113.505 0.928 . . . . 0.0 113.505 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . 0.514 ' HD3' ' H ' ' A' ' 132' ' ' VAL . 2.8 Cg_exo . . . . . 0 C--N 1.383 2.382 0 C-N-CA 122.037 1.825 . . . . 0.0 112.856 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.207 0 CA-C-O 119.28 -0.733 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo -75.5 152.72 38.81 Favored 'Trans proline' 0 C--N 1.37 1.659 0 C-N-CA 122.978 2.452 . . . . 0.0 112.757 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 93.7 m95 -100.86 149.26 24.05 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.995 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 60.3 mttp 61.86 117.45 0.02 OUTLIER 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 123.904 0.882 . . . . 0.0 112.078 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -134.02 131.43 38.88 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.751 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -107.7 111.18 23.25 Favored 'General case' 0 C--O 1.238 0.457 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.864 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 52.4 m -134.73 -45.41 0.74 Allowed 'General case' 0 C--O 1.235 0.32 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.795 179.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -127.0 95.48 4.32 Favored 'General case' 0 C--O 1.239 0.515 0 CA-C-O 121.195 0.522 . . . . 0.0 109.963 179.406 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.1 pp -143.74 -2.31 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.531 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.873 -179.721 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 6.1 m -88.79 -10.53 10.63 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.697 0 CA-C-N 116.287 -0.415 . . . . 0.0 112.089 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 52.9 m -100.72 -26.14 13.89 Favored 'General case' 0 N--CA 1.466 0.353 0 O-C-N 123.418 0.449 . . . . 0.0 111.666 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -91.55 -23.24 19.98 Favored 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 112.211 0.448 . . . . 0.0 112.211 -179.604 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -86.2 -22.26 27.04 Favored 'General case' 0 N--CA 1.47 0.542 0 O-C-N 123.247 0.342 . . . . 0.0 111.888 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.8 m -77.17 -38.96 28.21 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 N-CA-C 112.416 0.524 . . . . 0.0 112.416 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -58.56 -35.31 79.84 Favored Glycine 0 C--N 1.342 0.907 0 CA-C-N 116.112 -0.495 . . . . 0.0 113.873 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -76.8 -31.91 57.28 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 122.471 0.308 . . . . 0.0 111.301 179.561 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -76.01 -34.13 59.7 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.023 179.207 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.586 ' O ' HG21 ' A' ' 21' ' ' ILE . 74.8 m -74.31 -38.41 63.34 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.754 178.796 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.589 ' O ' HG21 ' A' ' 23' ' ' VAL . 40.6 mt-10 -70.25 -36.1 74.25 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.233 178.732 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -73.83 -35.35 64.83 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.539 179.392 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.586 HG21 ' O ' ' A' ' 18' ' ' CYS . 1.1 tp -73.93 -28.21 23.64 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.831 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.402 178.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -73.82 -44.55 30.87 Favored Glycine 0 C--N 1.348 1.226 0 CA-C-N 115.664 -0.698 . . . . 0.0 112.511 178.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.589 HG21 ' O ' ' A' ' 19' ' ' GLU . 3.3 m -71.1 -33.28 50.72 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 CA-C-O 120.576 0.227 . . . . 0.0 111.105 179.085 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.457 ' O ' ' HB2' ' A' ' 28' ' ' LEU . 55.4 mttt -72.35 -34.7 68.2 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.075 178.626 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.463 ' HB2' ' O ' ' A' ' 21' ' ' ILE . 2.2 tt -70.05 -39.79 75.51 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.271 179.301 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.2 mt -70.07 -41.27 74.34 Favored 'General case' 0 N--CA 1.473 0.717 0 O-C-N 123.347 0.404 . . . . 0.0 111.614 179.615 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 21.4 m80 -71.13 -31.41 67.69 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.28 179.17 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.457 ' HB2' ' O ' ' A' ' 24' ' ' LYS . 1.8 tt -74.92 -32.29 61.76 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.89 179.232 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.412 ' HG3' ' O ' ' A' ' 25' ' ' LEU . 43.6 mt-10 -72.42 -39.83 67.6 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.936 178.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -69.72 -38.59 76.97 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.563 178.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 54.4 mt-30 -74.14 -25.81 59.96 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.181 178.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.416 ' HB2' ' O ' ' A' ' 28' ' ' LEU . 5.1 tt -74.68 -39.4 62.01 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.704 179.201 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.412 ' O ' ' HD2' ' A' ' 37' ' ' TYR . 4.8 tp -71.13 -39.64 71.9 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.567 179.03 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -72.26 -31.18 63.99 Favored Glycine 0 C--N 1.343 0.967 0 CA-C-N 115.695 -0.684 . . . . 0.0 113.152 179.073 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -81.18 -29.11 34.72 Favored 'General case' 0 N--CA 1.469 0.521 0 N-CA-C 112.337 0.495 . . . . 0.0 112.337 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 43.9 mtt -82.65 -34.75 27.38 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 112.371 0.508 . . . . 0.0 112.371 -179.694 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.412 ' HD2' ' O ' ' A' ' 33' ' ' LEU . 26.6 m-85 -81.21 -40.52 23.71 Favored 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 111.973 0.36 . . . . 0.0 111.973 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 14.4 t -86.76 -25.59 24.59 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.722 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 66.5 m80 62.5 110.34 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 123.775 0.83 . . . . 0.0 111.83 -179.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -142.29 160.28 40.57 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.955 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -95.82 -38.59 10.24 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.554 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.7 -37.87 85.61 Favored 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 112.465 0.542 . . . . 0.0 112.465 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.469 ' O ' ' HB2' ' A' ' 47' ' ' LEU . 8.5 mt -71.6 -28.3 63.71 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 116.034 -0.53 . . . . 0.0 112.228 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 12.5 t80 -70.22 -39.94 74.83 Favored 'General case' 0 N--CA 1.473 0.703 0 O-C-N 123.358 0.411 . . . . 0.0 110.931 179.401 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 54.8 mt-30 -71.51 -39.92 70.47 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.486 179.027 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 52.9 m -69.05 -33.7 74.01 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.992 178.524 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.469 ' HB2' ' O ' ' A' ' 43' ' ' LEU . 2.4 tt -70.79 -35.93 72.8 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.205 179.273 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -70.65 -41.2 72.44 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.385 179.366 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -71.42 -38.05 62.41 Favored Glycine 0 C--N 1.344 0.998 0 CA-C-N 115.931 -0.577 . . . . 0.0 112.566 179.186 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.604 ' O ' HG23 ' A' ' 54' ' ' VAL . 40.1 mt-10 -71.43 -35.85 71.08 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 122.681 0.392 . . . . 0.0 111.114 179.178 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.401 ' HB2' ' O ' ' A' ' 47' ' ' LEU . 2.6 tt -70.19 -35.77 74.16 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.719 179.159 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 -72.23 -33.67 67.73 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.977 179.13 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 19.1 p -73.83 -33.99 64.37 Favored 'General case' 0 N--CA 1.472 0.635 0 O-C-N 123.423 0.452 . . . . 0.0 111.648 179.055 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.604 HG23 ' O ' ' A' ' 50' ' ' GLU . 87.8 t -73.78 -34.78 41.58 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.866 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.289 179.005 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 75.2 mttt -73.68 -35.11 65.14 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.291 178.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -72.98 -33.97 66.16 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.251 178.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 17.4 p -73.38 -37.35 66.04 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.206 178.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.0 tp -71.14 -37.24 72.28 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.795 179.2 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.424 ' O ' HG13 ' A' ' 62' ' ' ILE . 53.2 mt-30 -69.62 -37.09 76.7 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.865 178.62 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.443 ' O ' ' HB2' ' A' ' 64' ' ' GLN . . . -69.89 -31.49 69.32 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.113 178.682 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 15.8 ttt -70.7 -44.29 67.23 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.954 179.06 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.464 ' O ' ' HB2' ' A' ' 66' ' ' GLN . 1.6 pt -75.53 -22.69 16.45 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 O-C-N 123.424 0.453 . . . . 0.0 111.87 179.426 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.8 tp -86.49 -24.76 25.46 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.064 179.324 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.443 ' HB2' ' O ' ' A' ' 60' ' ' ALA . 5.5 tt0 -87.36 -31.09 20.32 Favored 'General case' 0 N--CA 1.468 0.466 0 O-C-N 123.435 0.46 . . . . 0.0 111.391 179.608 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 17.5 mt -84.93 -37.5 20.47 Favored 'General case' 0 N--CA 1.47 0.537 0 O-C-N 123.315 0.384 . . . . 0.0 111.607 179.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.464 ' HB2' ' O ' ' A' ' 62' ' ' ILE . 46.6 mt-30 -97.12 109.43 49.39 Favored Pre-proline 0 CA--C 1.542 0.673 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.745 179.788 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 22.3 Cg_exo -65.81 -38.83 22.16 Favored 'Trans proline' 0 C--N 1.375 1.934 0 C-N-CA 122.526 2.151 . . . . 0.0 113.393 179.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 18.2 p -141.46 135.88 30.73 Favored 'General case' 0 N--CA 1.467 0.386 0 O-C-N 123.273 0.358 . . . . 0.0 111.25 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 66.5 mttm 61.96 123.82 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 124.045 0.938 . . . . 0.0 112.245 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -116.01 -44.7 2.9 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.034 179.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -129.66 146.77 51.42 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.086 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -178.51 -83.67 0.06 OUTLIER Glycine 0 C--N 1.337 0.619 0 O-C-N 123.634 0.584 . . . . 0.0 112.521 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 63.06 124.82 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 124.024 0.93 . . . . 0.0 111.952 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -104.05 149.76 24.9 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.107 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 51.7 m -99.3 144.75 28.06 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.008 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -125.68 -41.37 2.0 Allowed 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.509 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 52.6 m -99.01 148.77 23.67 Favored 'General case' 0 C--O 1.234 0.26 0 O-C-N 123.428 0.455 . . . . 0.0 111.068 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 29.8 p90 42.05 96.4 0.04 OUTLIER Pre-proline 0 N--CA 1.489 1.519 0 C-N-CA 124.603 1.161 . . . . 0.0 113.358 -179.691 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_exo -69.16 148.87 69.89 Favored 'Trans proline' 0 C--N 1.376 1.978 0 C-N-CA 122.631 2.221 . . . . 0.0 112.83 179.459 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 6.3 t -98.9 122.08 41.68 Favored 'General case' 0 N--CA 1.467 0.42 0 O-C-N 123.686 0.616 . . . . 0.0 111.13 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -128.91 -42.74 1.38 Allowed 'General case' 0 C--O 1.234 0.283 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.346 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -173.25 117.52 0.65 Allowed Glycine 0 C--N 1.341 0.828 0 O-C-N 123.432 0.457 . . . . 0.0 112.405 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -120.6 -41.9 2.56 Favored 'General case' 0 C--O 1.235 0.314 0 O-C-N 123.585 0.226 . . . . 0.0 111.495 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 12.0 mm100 -99.69 131.6 45.58 Favored 'General case' 0 C--O 1.235 0.294 0 O-C-N 123.43 0.456 . . . . 0.0 110.866 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -128.84 137.24 51.38 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.859 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 5.9 t -137.39 120.08 16.19 Favored 'General case' 0 CA--C 1.535 0.371 0 O-C-N 123.601 0.563 . . . . 0.0 110.972 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -131.77 -43.16 1.0 Allowed 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.185 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -105.89 142.8 34.99 Favored 'General case' 0 C--O 1.234 0.277 0 O-C-N 123.349 0.406 . . . . 0.0 111.098 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 5.7 mp 62.91 125.72 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 123.879 0.872 . . . . 0.0 112.023 -179.704 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 3.9 m -124.81 158.71 61.59 Favored Pre-proline 0 CA--C 1.545 0.774 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.157 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 7.3 Cg_exo -74.01 131.82 16.04 Favored 'Trans proline' 0 C--N 1.377 2.028 0 C-N-CA 122.555 2.17 . . . . 0.0 112.769 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -131.28 -42.81 1.06 Allowed 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.177 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 105.51 76.07 1.03 Allowed Glycine 0 C--N 1.34 0.766 0 O-C-N 123.452 0.47 . . . . 0.0 112.405 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 16.1 t -127.11 131.06 50.9 Favored 'General case' 0 C--O 1.235 0.321 0 C-N-CA 122.294 0.238 . . . . 0.0 110.659 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 147.75 -151.39 23.64 Favored Glycine 0 C--N 1.338 0.639 0 CA-C-N 115.894 -0.593 . . . . 0.0 112.497 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -129.12 -42.76 1.35 Allowed 'General case' 0 N--CA 1.467 0.395 0 O-C-N 123.666 0.274 . . . . 0.0 111.118 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 100.48 80.73 1.54 Allowed Glycine 0 C--N 1.341 0.831 0 O-C-N 123.359 0.412 . . . . 0.0 112.441 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.489 ' O ' HD12 ' A' ' 102' ' ' LEU . 97.3 mttt -129.24 -41.86 1.38 Allowed 'General case' 0 N--CA 1.467 0.376 0 O-C-N 123.617 0.246 . . . . 0.0 111.256 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -118.57 -26.47 6.16 Favored 'General case' 0 N--CA 1.466 0.373 0 O-C-N 123.371 0.419 . . . . 0.0 111.546 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -88.91 -25.16 22.26 Favored 'General case' 0 N--CA 1.47 0.563 0 O-C-N 123.404 0.44 . . . . 0.0 111.958 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -77.07 -30.56 55.57 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 112.37 0.507 . . . . 0.0 112.37 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.489 HD12 ' O ' ' A' ' 98' ' ' LYS . 12.8 mt -86.24 -29.49 23.1 Favored 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 112.01 0.374 . . . . 0.0 112.01 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -75.16 -38.19 61.01 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 112.002 0.371 . . . . 0.0 112.002 -179.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -64.72 -41.17 96.18 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 122.811 0.444 . . . . 0.0 111.703 179.505 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 23.7 tptt -75.8 -36.77 59.62 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.218 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -71.03 -35.9 72.17 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.532 179.375 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . 0.504 ' OD2' ' HE3' ' A' ' 111' ' ' LYS . 2.2 t70 -75.8 -34.84 60.19 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.424 179.582 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 47.6 p -68.93 -44.18 73.59 Favored 'General case' 0 N--CA 1.471 0.622 0 O-C-N 123.29 0.369 . . . . 0.0 111.484 179.449 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 3.2 mp -73.55 -32.42 64.18 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.387 179.353 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . 0.44 ' O ' ' HG3' ' A' ' 114' ' ' GLN . . . -68.03 -36.44 79.92 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 123.224 0.328 . . . . 0.0 110.94 178.606 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.504 ' HE3' ' OD2' ' A' ' 107' ' ' ASP . 95.4 mttt -72.88 -35.18 67.11 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.491 178.474 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -67.93 -33.63 75.05 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.285 178.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 21.6 mt -77.14 -33.08 19.82 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 O-C-N 123.482 0.489 . . . . 0.0 109.747 178.534 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . 0.44 ' HG3' ' O ' ' A' ' 110' ' ' ALA . 53.6 mt-30 -65.26 -36.82 85.3 Favored 'General case' 0 N--CA 1.474 0.73 0 O-C-N 123.357 0.411 . . . . 0.0 110.425 178.141 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . 0.487 ' HD1' ' O ' ' A' ' 111' ' ' LYS . 17.8 m-85 -75.01 -35.61 61.97 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.004 177.768 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 2.0 tt -66.2 -38.86 89.02 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.86 178.67 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.505 ' O ' HG13 ' A' ' 120' ' ' ILE . 95.2 mttt -72.75 -37.54 67.65 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.804 179.165 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -69.19 -32.02 71.03 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.983 178.507 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.549 ' O ' HG22 ' A' ' 123' ' ' VAL . 14.1 mt -71.77 -43.22 66.11 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.327 179.722 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . 0.505 HG13 ' O ' ' A' ' 117' ' ' LYS . 0.8 OUTLIER -69.81 -33.25 55.19 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.296 178.92 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -72.93 -32.11 65.06 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.427 178.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -73.28 -38.24 65.97 Favored 'General case' 0 N--CA 1.47 0.558 0 O-C-N 123.441 0.463 . . . . 0.0 111.685 179.548 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . 0.549 HG22 ' O ' ' A' ' 119' ' ' LEU . 2.7 m -74.01 -33.98 37.68 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 O-C-N 123.315 0.385 . . . . 0.0 111.069 178.666 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -70.56 -36.37 73.6 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.203 178.642 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -74.14 -36.55 64.14 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.287 179.04 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -75.38 -26.11 58.22 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.987 179.528 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 18.7 mtp180 -79.03 131.9 36.44 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 122.824 0.45 . . . . 0.0 111.472 179.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 155.89 -126.34 1.81 Allowed Glycine 0 C--N 1.338 0.665 0 CA-C-N 115.733 -0.667 . . . . 0.0 112.496 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -129.05 137.21 51.16 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 122.304 0.242 . . . . 0.0 110.896 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -125.44 145.89 49.87 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.868 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -99.45 -42.55 6.9 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.236 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 3.9 m -130.98 158.81 74.05 Favored Pre-proline 0 CA--C 1.546 0.81 0 CA-C-O 119.225 -0.417 . . . . 0.0 111.224 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 6.5 Cg_exo . . . . . 0 C--N 1.375 1.967 0 C-N-CA 122.526 2.15 . . . . 0.0 112.713 179.858 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.226 0 CA-C-O 119.068 -0.851 . . . . 0.0 112.63 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -75.35 -35.76 2.72 Favored 'Trans proline' 0 C--N 1.372 1.81 0 C-N-CA 122.849 2.366 . . . . 0.0 113.028 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 92.2 m95 -102.03 144.83 30.13 Favored 'General case' 0 C--O 1.236 0.354 0 O-C-N 123.493 0.496 . . . . 0.0 110.871 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -125.9 -42.12 1.92 Allowed 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.144 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 70.97 -48.33 0.67 Allowed 'General case' 0 N--CA 1.487 1.425 0 C-N-CA 124.561 1.144 . . . . 0.0 112.586 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -103.49 118.89 37.77 Favored 'General case' 0 C--O 1.236 0.347 0 O-C-N 123.334 0.397 . . . . 0.0 110.937 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 44.8 p -130.99 -46.68 1.02 Allowed 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.745 179.635 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 68.4 m-70 -131.0 94.27 3.56 Favored 'General case' 0 C--O 1.238 0.483 0 CA-C-O 121.238 0.542 . . . . 0.0 110.209 179.325 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.1 pp -143.95 1.5 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 CA-C-N 115.498 -0.774 . . . . 0.0 111.866 -179.547 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 5.4 m -87.68 -28.44 5.57 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.453 ' O ' ' HE3' ' A' ' 129' ' ' LYS . 50.2 m -94.03 -14.4 25.87 Favored 'General case' 0 N--CA 1.466 0.372 0 O-C-N 123.425 0.453 . . . . 0.0 111.867 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -94.86 -22.14 18.22 Favored 'General case' 0 N--CA 1.467 0.421 0 N-CA-C 112.117 0.414 . . . . 0.0 112.117 -179.709 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -87.03 -22.03 25.73 Favored 'General case' 0 N--CA 1.472 0.667 0 O-C-N 123.331 0.394 . . . . 0.0 111.961 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.7 m -71.09 -39.1 73.85 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 N-CA-C 112.589 0.589 . . . . 0.0 112.589 -179.707 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -60.53 -40.13 97.36 Favored Glycine 0 C--N 1.343 0.946 0 O-C-N 123.484 0.49 . . . . 0.0 113.823 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -75.02 -35.05 61.98 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 122.485 0.314 . . . . 0.0 111.468 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 60.2 mttp -73.89 -34.13 64.3 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.014 179.162 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.541 ' O ' HG23 ' A' ' 21' ' ' ILE . 94.0 m -72.79 -37.95 67.4 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.877 178.878 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.545 ' O ' HG22 ' A' ' 23' ' ' VAL . 41.3 mt-10 -70.18 -36.66 74.81 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.374 179.034 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.34 -38.38 68.62 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.6 179.555 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.541 HG23 ' O ' ' A' ' 18' ' ' CYS . 2.2 tp -72.81 -27.82 25.92 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.815 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.459 178.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -73.05 -42.55 43.81 Favored Glycine 0 C--N 1.348 1.245 0 CA-C-N 115.695 -0.684 . . . . 0.0 112.332 178.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.545 HG22 ' O ' ' A' ' 19' ' ' GLU . 2.8 m -71.18 -34.14 53.47 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 CA-C-O 120.698 0.285 . . . . 0.0 111.18 178.895 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -71.48 -35.02 70.67 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.909 178.645 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.7 tt -69.95 -39.23 76.18 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.097 179.072 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 13.5 mt -69.03 -39.98 78.91 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.429 179.406 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 15.5 m-70 -70.69 -31.69 68.66 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.02 178.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.432 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 0.6 OUTLIER -74.86 -30.48 61.35 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.064 178.907 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -73.11 -41.09 64.4 Favored 'General case' 0 N--CA 1.471 0.575 0 O-C-N 123.541 0.526 . . . . 0.0 110.694 179.15 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -69.9 -37.12 75.9 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.082 178.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 53.9 mt-30 -74.32 -28.64 61.25 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.244 179.043 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.432 ' HB2' ' O ' ' A' ' 28' ' ' LEU . 3.6 tt -72.89 -40.31 65.66 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.906 179.271 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.459 ' O ' ' HD2' ' A' ' 37' ' ' TYR . 4.8 tp -71.16 -39.12 72.11 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.52 178.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -71.96 -28.27 68.95 Favored Glycine 0 C--N 1.343 0.971 0 CA-C-N 115.744 -0.662 . . . . 0.0 112.794 179.025 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -80.99 -30.52 35.02 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 122.709 0.404 . . . . 0.0 111.826 179.199 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 39.6 mtt -78.83 -34.89 44.82 Favored 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 112.117 0.414 . . . . 0.0 112.117 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.459 ' HD2' ' O ' ' A' ' 33' ' ' LEU . 26.4 m-85 -81.08 -35.34 31.85 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 112.003 0.371 . . . . 0.0 112.003 179.802 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 14.4 t -86.55 -27.76 23.76 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.657 179.782 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 74.3 m-70 62.86 110.72 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 123.954 0.902 . . . . 0.0 112.01 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -142.46 162.72 34.74 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.588 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -95.71 -41.35 8.92 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.762 -179.691 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.88 -29.0 68.79 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 112.797 0.666 . . . . 0.0 112.797 -179.662 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -67.29 -28.95 68.43 Favored 'General case' 0 N--CA 1.472 0.651 0 N-CA-C 112.506 0.558 . . . . 0.0 112.506 -179.471 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 27.8 m-85 -68.69 -37.47 79.58 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 122.26 0.224 . . . . 0.0 111.527 179.55 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -72.82 -40.05 66.13 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.378 178.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 52.5 m -69.23 -38.73 78.66 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.475 178.677 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.409 ' O ' ' HB2' ' A' ' 51' ' ' LEU . 17.3 mt -70.79 -34.1 71.42 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 116.015 -0.539 . . . . 0.0 112.108 179.515 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -72.96 -40.37 65.41 Favored 'General case' 0 N--CA 1.472 0.669 0 O-C-N 123.314 0.384 . . . . 0.0 111.734 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -71.6 -38.06 61.71 Favored Glycine 0 C--N 1.342 0.891 0 CA-C-N 116.169 -0.469 . . . . 0.0 112.889 179.375 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -73.3 -35.5 66.12 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 122.872 0.469 . . . . 0.0 111.488 179.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.539 ' O ' HG11 ' A' ' 54' ' ' VAL . 4.0 tp -72.86 -36.05 67.33 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.455 179.563 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -74.19 -33.79 63.54 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.175 179.27 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 17.8 p -74.99 -33.99 61.92 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.475 179.036 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.539 HG11 ' O ' ' A' ' 51' ' ' LEU . 8.3 p -75.0 -34.04 31.13 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.811 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.718 179.358 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 63.6 mttm -73.7 -36.44 65.25 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.063 178.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -73.19 -33.35 65.36 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.223 178.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 10.7 p -74.03 -35.54 64.35 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.336 178.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.587 ' O ' HG12 ' A' ' 62' ' ' ILE . 5.8 tp -71.68 -39.27 70.35 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.661 179.185 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.474 ' O ' ' HB2' ' A' ' 63' ' ' LEU . 47.3 mt-30 -69.6 -37.2 76.8 Favored 'General case' 0 C--N 1.348 0.519 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.791 178.816 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.526 ' O ' ' HG2' ' A' ' 64' ' ' GLN . . . -68.45 -32.99 73.4 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.911 178.794 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 82.1 mtp -68.4 -46.42 70.02 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.262 178.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.587 HG12 ' O ' ' A' ' 58' ' ' LEU . 11.8 mm -75.38 -18.16 15.9 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.88 179.553 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.474 ' HB2' ' O ' ' A' ' 59' ' ' GLN . 2.4 tt -82.4 -33.75 28.58 Favored 'General case' 0 N--CA 1.469 0.506 0 O-C-N 123.231 0.332 . . . . 0.0 111.53 179.495 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.526 ' HG2' ' O ' ' A' ' 60' ' ' ALA . 11.3 pt20 -87.74 -29.25 21.21 Favored 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.492 ' HB3' ' NH1' ' A' ' 127' ' ' ARG . 21.4 mt -81.71 -30.85 32.38 Favored 'General case' 0 N--CA 1.471 0.602 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 -179.831 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 19.8 mm-40 -94.0 158.3 36.43 Favored Pre-proline 0 CA--C 1.54 0.585 0 CA-C-O 119.311 -0.376 . . . . 0.0 110.983 179.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_exo -72.7 149.19 48.23 Favored 'Trans proline' 0 C--N 1.377 2.05 0 C-N-CA 122.589 2.193 . . . . 0.0 112.836 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 7.4 t -99.3 158.89 15.39 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.178 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -97.01 152.71 18.46 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.065 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -93.4 -38.51 11.42 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.561 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -95.44 130.12 42.36 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.262 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 118.72 104.77 2.18 Favored Glycine 0 C--N 1.337 0.617 0 CA-C-N 115.789 -0.641 . . . . 0.0 112.487 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -100.35 144.59 29.18 Favored 'General case' 0 C--O 1.235 0.302 0 O-C-N 123.607 0.24 . . . . 0.0 110.631 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -112.61 144.0 42.84 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.133 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 52.4 m -127.82 149.67 50.17 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.019 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -97.97 -42.66 7.41 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.513 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 53.1 m -112.18 130.8 55.79 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.802 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 91.2 m-85 -103.49 157.61 33.5 Favored Pre-proline 0 CA--C 1.54 0.579 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.843 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 5.4 Cg_exo -75.34 -35.88 2.67 Favored 'Trans proline' 0 C--N 1.377 2.037 0 C-N-CA 122.499 2.133 . . . . 0.0 113.046 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 19.0 p -103.04 148.83 25.21 Favored 'General case' 0 C--O 1.235 0.321 0 O-C-N 123.416 0.448 . . . . 0.0 111.175 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -119.79 145.96 46.12 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.111 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -127.39 130.06 6.68 Favored Glycine 0 C--N 1.337 0.626 0 CA-C-N 115.933 -0.576 . . . . 0.0 112.533 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -106.25 147.16 29.44 Favored 'General case' 0 C--O 1.235 0.31 0 C-N-CA 122.343 0.257 . . . . 0.0 111.129 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -125.64 135.9 52.66 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.906 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -101.03 146.94 26.78 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.85 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 18.8 p -135.85 141.25 44.63 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.038 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -101.11 145.23 29.04 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.852 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -125.78 148.21 49.17 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.061 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 5.8 mp -126.56 146.13 50.26 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.966 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 3.6 m -138.34 108.34 8.02 Favored Pre-proline 0 CA--C 1.544 0.72 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.18 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -65.15 -34.61 45.32 Favored 'Trans proline' 0 C--N 1.376 1.985 0 C-N-CA 122.694 2.263 . . . . 0.0 113.617 179.74 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 84.0 mtm180 -108.22 -45.61 3.89 Favored 'General case' 0 N--CA 1.467 0.379 0 O-C-N 123.278 0.361 . . . . 0.0 111.56 -179.654 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 119.64 -83.9 0.36 Allowed Glycine 0 C--N 1.341 0.837 0 C-N-CA 121.297 -0.478 . . . . 0.0 112.461 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 52.6 m -102.28 146.92 27.33 Favored 'General case' 0 C--O 1.234 0.278 0 O-C-N 123.666 0.274 . . . . 0.0 110.939 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 155.69 145.36 4.16 Favored Glycine 0 C--N 1.337 0.616 0 CA-C-N 115.852 -0.613 . . . . 0.0 112.53 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 -100.37 137.95 38.1 Favored 'General case' 0 C--O 1.235 0.316 0 O-C-N 123.647 0.263 . . . . 0.0 110.89 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 100.9 103.43 2.62 Favored Glycine 0 C--N 1.337 0.636 0 CA-C-N 115.802 -0.635 . . . . 0.0 112.394 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -105.04 146.99 28.32 Favored 'General case' 0 C--O 1.234 0.274 0 O-C-N 123.621 0.248 . . . . 0.0 110.97 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -98.83 -20.65 16.75 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.292 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -90.99 -19.59 23.05 Favored 'General case' 0 N--CA 1.468 0.453 0 O-C-N 123.408 0.442 . . . . 0.0 111.468 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -76.62 -30.02 56.72 Favored 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 112.287 0.476 . . . . 0.0 112.287 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 13.8 mt -86.2 -29.63 23.04 Favored 'General case' 0 N--CA 1.469 0.487 0 O-C-N 123.343 0.402 . . . . 0.0 111.755 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -75.11 -40.74 59.71 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 122.633 0.373 . . . . 0.0 111.622 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -64.63 -38.4 90.88 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.669 179.447 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -76.71 -35.78 57.63 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.521 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -69.58 -37.8 77.11 Favored 'General case' 0 N--CA 1.47 0.572 0 O-C-N 123.381 0.425 . . . . 0.0 111.601 179.485 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -75.7 -37.45 59.46 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.448 179.423 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' SER . . . . . 0.486 ' O ' ' HG2' ' A' ' 112' ' ' GLU . 73.0 m -69.28 -40.02 78.0 Favored 'General case' 0 N--CA 1.472 0.643 0 O-C-N 123.278 0.361 . . . . 0.0 111.128 179.127 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 24.6 mt -70.21 -38.82 75.36 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.044 179.282 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -71.07 -30.15 66.22 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.902 179.663 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -74.38 -38.89 63.03 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.472 179.464 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.486 ' HG2' ' O ' ' A' ' 108' ' ' SER . 7.7 pt-20 -73.6 -31.09 63.38 Favored 'General case' 0 N--CA 1.476 0.847 0 O-C-N 123.3 0.375 . . . . 0.0 111.657 178.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 48.4 mt -77.04 -33.1 20.08 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 O-C-N 123.207 0.317 . . . . 0.0 110.477 178.651 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -71.25 -40.12 71.19 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-O 120.801 0.334 . . . . 0.0 110.467 178.505 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 11.8 t80 -70.02 -35.79 74.59 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.024 178.441 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.662 ' O ' HG12 ' A' ' 120' ' ' ILE . 10.3 tp -65.19 -40.53 94.35 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.523 178.639 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -66.56 -38.52 87.28 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.012 179.105 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -68.6 -30.88 69.71 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.122 178.594 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 14.9 mt -73.69 -34.27 64.79 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.483 179.094 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . 0.662 HG12 ' O ' ' A' ' 116' ' ' LEU . 30.0 mm -72.44 -37.36 57.3 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.301 178.774 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -72.81 -32.64 65.68 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.423 179.288 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -75.89 -33.67 59.94 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.553 179.267 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . 0.547 HG11 ' O ' ' A' ' 120' ' ' ILE . 9.9 p -75.16 -34.95 32.87 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.785 0 O-C-N 123.302 0.376 . . . . 0.0 110.523 179.085 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -71.2 -39.84 71.55 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.109 178.565 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 58.7 mttp -74.22 -30.32 62.13 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.908 179.475 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -75.04 -42.96 56.03 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 116.267 -0.424 . . . . 0.0 112.118 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . 0.492 ' NH1' ' HB3' ' A' ' 65' ' ' LEU . 86.5 mtt180 -134.83 145.26 48.16 Favored 'General case' 0 N--CA 1.466 0.346 0 O-C-N 123.353 0.408 . . . . 0.0 110.965 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 160.4 162.02 12.03 Favored Glycine 0 C--N 1.339 0.723 0 CA-C-N 115.816 -0.629 . . . . 0.0 112.65 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.453 ' HE3' ' O ' ' A' ' 11' ' ' SER . 95.7 mttt -97.98 141.08 31.38 Favored 'General case' 0 C--O 1.234 0.287 0 C-N-CA 122.309 0.244 . . . . 0.0 111.061 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -131.29 127.55 37.97 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.694 179.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 62.84 125.88 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 123.964 0.906 . . . . 0.0 112.014 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 3.9 m -134.8 158.9 74.01 Favored Pre-proline 0 CA--C 1.545 0.757 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.298 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 6.6 Cg_exo . . . . . 0 C--N 1.375 1.942 0 C-N-CA 122.664 2.243 . . . . 0.0 112.72 179.885 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.294 0 CA-C-O 119.284 -0.731 . . . . 0.0 112.566 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 5.4 Cg_exo -75.94 142.59 25.29 Favored 'Trans proline' 0 C--N 1.37 1.697 0 C-N-CA 122.968 2.445 . . . . 0.0 112.742 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 12.4 t-105 -125.3 142.2 51.64 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.585 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -103.33 144.95 30.68 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.906 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -125.52 144.81 50.38 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.743 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -99.98 114.94 28.57 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.024 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 53.2 m -138.9 -43.94 0.47 Allowed 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.975 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 9.2 t-80 -131.02 -11.7 3.71 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.273 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.1 pp -90.01 85.3 2.39 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.509 0 CA-C-O 121.427 0.632 . . . . 0.0 111.418 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.419 ' O ' HG13 ' A' ' 14' ' ' VAL . 2.9 m -148.05 -36.12 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 CA-C-N 115.105 -0.952 . . . . 0.0 111.011 179.81 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 58.1 m -85.92 -14.9 43.38 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.837 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -98.03 -20.42 17.4 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.65 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -89.61 -22.07 22.5 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.864 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.419 HG13 ' O ' ' A' ' 10' ' ' VAL . 2.9 m -64.75 -39.82 86.93 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 N-CA-C 112.814 0.672 . . . . 0.0 112.814 -179.828 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -62.23 -39.87 98.26 Favored Glycine 0 C--N 1.342 0.87 0 O-C-N 123.519 0.512 . . . . 0.0 113.485 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -76.59 -31.5 57.52 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 122.602 0.361 . . . . 0.0 111.255 179.68 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -75.67 -34.25 60.45 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.046 179.305 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.515 ' O ' HG23 ' A' ' 21' ' ' ILE . 98.0 m -74.49 -38.42 62.89 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.646 178.82 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.55 ' O ' HG22 ' A' ' 23' ' ' VAL . 41.9 mt-10 -70.29 -35.37 73.67 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.39 178.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.37 -40.53 67.22 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.427 179.398 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.515 HG23 ' O ' ' A' ' 18' ' ' CYS . 1.1 tt -71.33 -27.64 29.71 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.847 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.389 178.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.1 -43.72 47.25 Favored Glycine 0 C--N 1.348 1.199 0 CA-C-N 115.712 -0.676 . . . . 0.0 112.241 178.646 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.55 HG22 ' O ' ' A' ' 19' ' ' GLU . 2.8 m -71.23 -30.46 40.42 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 CA-C-O 120.631 0.253 . . . . 0.0 111.28 178.796 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -72.89 -36.26 67.3 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.843 178.5 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.8 tp -70.22 -39.44 75.11 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.218 179.339 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.3 mt -70.79 -38.61 73.38 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.391 179.508 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.479 ' HD2' ' NE2' ' A' ' 31' ' ' GLN . 2.9 t60 -72.36 -31.8 65.92 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.776 179.119 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.457 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 5.0 tp -74.72 -31.83 61.96 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.752 179.059 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -73.87 -36.68 64.85 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.765 178.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -69.67 -39.98 76.67 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.454 178.68 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.479 ' NE2' ' HD2' ' A' ' 27' ' ' HIS . 43.9 mt-30 -74.15 -27.2 60.72 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.021 178.873 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.457 ' HB2' ' O ' ' A' ' 28' ' ' LEU . 3.7 tt -72.12 -39.62 68.71 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.788 179.275 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.44 ' O ' ' HD1' ' A' ' 37' ' ' TYR . 4.8 tp -71.59 -39.8 70.32 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.415 178.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -71.98 -26.54 72.29 Favored Glycine 0 C--N 1.344 1.004 0 CA-C-N 115.71 -0.677 . . . . 0.0 112.792 178.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -81.09 -33.04 33.62 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 122.721 0.408 . . . . 0.0 111.907 179.334 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 47.8 mtt -78.98 -33.79 44.76 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 112.372 0.508 . . . . 0.0 112.372 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.44 ' HD1' ' O ' ' A' ' 33' ' ' LEU . 25.8 m-85 -81.13 -39.26 25.88 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 111.931 0.345 . . . . 0.0 111.931 179.776 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 53.2 m -86.74 -21.63 26.46 Favored 'General case' 0 N--CA 1.47 0.568 0 O-C-N 123.403 0.439 . . . . 0.0 111.865 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 72.3 m-70 62.06 111.63 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 123.926 0.89 . . . . 0.0 111.907 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -142.62 164.41 30.18 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.792 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -106.94 -40.03 5.59 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.398 179.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.85 -31.51 72.18 Favored 'General case' 0 N--CA 1.473 0.717 0 N-CA-C 112.842 0.682 . . . . 0.0 112.842 -179.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.5 mt -67.06 -28.58 68.32 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 112.43 0.53 . . . . 0.0 112.43 -179.636 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -68.86 -37.48 79.12 Favored 'General case' 0 N--CA 1.474 0.746 0 O-C-N 123.134 0.271 . . . . 0.0 111.213 178.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -72.41 -38.11 68.48 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.531 178.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 16.4 t -68.89 -36.88 78.58 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 115.701 -0.682 . . . . 0.0 110.865 178.538 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.407 ' O ' ' HB2' ' A' ' 51' ' ' LEU . 17.5 mt -70.7 -33.8 71.27 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.594 178.752 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -70.37 -40.55 73.94 Favored 'General case' 0 N--CA 1.474 0.755 0 O-C-N 123.5 0.5 . . . . 0.0 111.391 179.381 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -70.46 -39.69 69.02 Favored Glycine 0 C--N 1.344 1.006 0 CA-C-N 116.073 -0.512 . . . . 0.0 112.345 179.036 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.6 ' O ' HG23 ' A' ' 54' ' ' VAL . 43.7 mt-10 -69.52 -35.63 75.67 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 122.753 0.421 . . . . 0.0 110.847 179.03 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.407 ' HB2' ' O ' ' A' ' 47' ' ' LEU . 2.4 tp -70.06 -34.95 73.86 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.838 179.128 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 19.1 mm-40 -71.86 -33.75 68.67 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.361 179.017 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 19.5 p -73.56 -36.03 65.55 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.54 179.003 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.6 HG23 ' O ' ' A' ' 50' ' ' GLU . 57.5 t -73.17 -34.33 44.4 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.185 178.877 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 64.7 mttm -72.9 -34.5 66.69 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.827 178.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -73.02 -33.46 65.76 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.96 178.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 19.2 p -73.03 -37.06 67.03 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.189 179.016 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 17.5 mt -70.74 -38.06 73.49 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.884 178.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.465 ' O ' HG23 ' A' ' 62' ' ' ILE . 46.7 mt-30 -69.29 -36.9 77.52 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.748 178.82 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -70.2 -32.18 69.98 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.092 178.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 87.1 mtp -70.76 -40.89 72.4 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.482 179.122 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.465 HG23 ' O ' ' A' ' 59' ' ' GLN . 3.0 tp -75.28 -27.22 19.3 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.861 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.244 179.278 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.8 tp -83.49 -24.42 31.75 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.4 179.537 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -89.52 -29.38 18.98 Favored 'General case' 0 N--CA 1.469 0.495 0 O-C-N 123.348 0.405 . . . . 0.0 111.766 179.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 20.3 mt -87.53 -38.39 16.05 Favored 'General case' 0 N--CA 1.471 0.585 0 O-C-N 123.188 0.305 . . . . 0.0 111.517 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 -116.91 106.5 47.63 Favored Pre-proline 0 CA--C 1.542 0.659 0 O-C-N 123.437 0.46 . . . . 0.0 110.659 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 22.8 Cg_exo -66.13 -35.0 35.09 Favored 'Trans proline' 0 C--N 1.375 1.974 0 C-N-CA 122.608 2.205 . . . . 0.0 113.344 179.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 18.8 p -127.97 137.83 52.39 Favored 'General case' 0 C--O 1.236 0.353 0 O-C-N 123.386 0.429 . . . . 0.0 111.198 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 34.1 tttm -107.28 130.59 54.74 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.513 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -100.81 130.9 46.9 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.856 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -125.61 144.68 50.47 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.199 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 100.68 54.03 1.02 Allowed Glycine 0 C--N 1.335 0.527 0 O-C-N 123.635 0.584 . . . . 0.0 112.521 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -129.86 139.61 51.15 Favored 'General case' 0 C--O 1.235 0.306 0 C-N-CA 122.292 0.237 . . . . 0.0 110.898 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -118.21 129.87 55.75 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.054 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 16.0 t -128.88 145.18 51.28 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.74 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -126.14 137.56 53.59 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.078 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 53.3 m -127.39 -41.88 1.7 Allowed 'General case' 0 C--O 1.236 0.363 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.282 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 90.6 m-85 -122.11 157.91 56.76 Favored Pre-proline 0 CA--C 1.538 0.507 0 O-C-N 123.299 0.374 . . . . 0.0 110.986 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 6.5 Cg_exo -74.84 149.89 38.19 Favored 'Trans proline' 0 C--N 1.376 2.015 0 C-N-CA 122.57 2.18 . . . . 0.0 112.735 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 40.7 p 52.2 107.33 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 124.379 1.072 . . . . 0.0 112.857 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -104.7 -42.48 5.38 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.386 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 161.32 67.58 0.02 OUTLIER Glycine 0 C--N 1.339 0.73 0 O-C-N 123.463 0.477 . . . . 0.0 112.499 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -99.66 -42.23 6.97 Favored 'General case' 0 C--O 1.235 0.341 0 O-C-N 123.633 0.255 . . . . 0.0 111.426 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -99.24 -43.1 6.74 Favored 'General case' 0 C--O 1.236 0.387 0 O-C-N 123.403 0.44 . . . . 0.0 111.13 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -105.06 144.39 31.93 Favored 'General case' 0 C--O 1.235 0.298 0 O-C-N 123.303 0.377 . . . . 0.0 110.545 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 19.5 p -99.31 -46.26 5.58 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.337 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -111.18 129.84 55.82 Favored 'General case' 0 C--O 1.234 0.251 0 O-C-N 123.497 0.498 . . . . 0.0 110.523 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -108.36 -41.63 4.81 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.428 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 2.7 tt -100.09 146.36 26.88 Favored 'General case' 0 C--O 1.236 0.367 0 O-C-N 123.385 0.428 . . . . 0.0 110.558 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 3.3 m -133.4 106.82 12.09 Favored Pre-proline 0 CA--C 1.545 0.779 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.281 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 28.4 Cg_exo -63.51 137.66 60.96 Favored 'Trans proline' 0 C--N 1.376 1.992 0 C-N-CA 122.637 2.225 . . . . 0.0 112.982 179.606 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 35.5 ttt180 -100.96 143.55 30.97 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.664 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 149.05 113.6 0.69 Allowed Glycine 0 C--N 1.337 0.622 0 CA-C-N 115.894 -0.594 . . . . 0.0 112.463 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 16.1 t -127.96 130.56 48.61 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 122.305 0.242 . . . . 0.0 110.759 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -161.38 -136.14 1.95 Allowed Glycine 0 C--N 1.336 0.529 0 O-C-N 123.624 0.578 . . . . 0.0 112.478 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -127.95 152.12 48.27 Favored 'General case' 0 C--O 1.234 0.274 0 C-N-CA 122.305 0.242 . . . . 0.0 110.701 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -97.89 119.33 6.39 Favored Glycine 0 C--N 1.338 0.689 0 CA-C-N 115.89 -0.596 . . . . 0.0 112.611 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -129.66 -39.85 1.43 Allowed 'General case' 0 N--CA 1.467 0.389 0 O-C-N 123.636 0.257 . . . . 0.0 111.216 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . 0.473 ' OD1' HD13 ' A' ' 102' ' ' LEU . 46.9 m-80 -97.11 127.32 42.96 Favored 'General case' 0 N--CA 1.467 0.376 0 O-C-N 123.575 0.547 . . . . 0.0 110.814 -179.853 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -131.04 -33.13 1.56 Allowed 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.238 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -76.9 -29.6 55.82 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.867 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.473 HD13 ' OD1' ' A' ' 99' ' ' ASN . 23.5 mt -84.57 -26.65 27.83 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.744 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -72.46 -37.61 68.48 Favored 'General case' 0 N--CA 1.473 0.681 0 O-C-N 123.266 0.354 . . . . 0.0 111.87 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -64.66 -39.68 94.1 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.643 179.66 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.434 ' O ' ' HB2' ' A' ' 109' ' ' LEU . 97.1 mttt -78.32 -31.63 48.88 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.516 179.777 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -71.55 -40.85 69.74 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.514 179.224 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -75.92 -36.01 59.56 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.778 179.63 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' SER . . . . . 0.421 ' O ' ' HG3' ' A' ' 112' ' ' GLU . 17.1 t -70.54 -42.11 71.64 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 123.295 0.372 . . . . 0.0 111.087 179.435 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.434 ' HB2' ' O ' ' A' ' 105' ' ' LYS . 5.0 mp -71.94 -33.78 68.51 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.321 179.287 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -70.86 -33.75 70.95 Favored 'General case' 0 N--CA 1.471 0.602 0 O-C-N 123.344 0.402 . . . . 0.0 110.88 178.583 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.435 ' O ' ' HB2' ' A' ' 115' ' ' TYR . 63.8 mttm -75.12 -29.75 60.66 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.699 178.504 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.421 ' HG3' ' O ' ' A' ' 108' ' ' SER . 45.9 mt-10 -72.32 -39.3 68.32 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.4 178.764 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 13.2 mt -73.05 -37.25 52.84 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.078 179.051 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 53.6 mt-30 -70.56 -32.54 69.99 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.863 178.631 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . 0.435 ' HB2' ' O ' ' A' ' 111' ' ' LYS . 10.6 t80 -72.33 -36.46 68.84 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.831 179.117 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 13.7 mt -69.42 -37.91 77.65 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.016 178.659 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -68.41 -39.22 81.71 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.947 178.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -68.94 -32.2 71.62 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.134 178.537 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.539 ' O ' HG23 ' A' ' 123' ' ' VAL . 14.4 mt -70.57 -39.21 74.04 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.652 179.307 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 14.3 mt -70.56 -36.47 65.94 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.202 178.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -72.95 -28.01 62.17 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.516 178.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -76.13 -38.42 56.82 Favored 'General case' 0 N--CA 1.469 0.503 0 O-C-N 123.393 0.433 . . . . 0.0 111.538 179.307 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . 0.6 ' O ' ' HG2' ' A' ' 127' ' ' ARG . 2.6 m -72.59 -36.29 53.26 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 O-C-N 123.355 0.409 . . . . 0.0 111.002 178.769 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -70.39 -39.08 74.73 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.652 178.696 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 54.9 tttt -74.44 -25.81 59.66 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.276 178.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -75.04 -42.37 57.24 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 116.105 -0.498 . . . . 0.0 112.277 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . 0.6 ' HG2' ' O ' ' A' ' 123' ' ' VAL . 17.4 ptt180 -90.44 121.22 32.21 Favored 'General case' 0 N--CA 1.471 0.58 0 O-C-N 123.145 0.278 . . . . 0.0 111.291 179.792 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -108.44 -151.22 15.34 Favored Glycine 0 C--N 1.337 0.637 0 CA-C-N 115.824 -0.626 . . . . 0.0 112.616 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -131.37 -36.49 1.28 Allowed 'General case' 0 N--CA 1.467 0.385 0 O-C-N 123.706 0.298 . . . . 0.0 111.481 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -90.34 -39.83 12.47 Favored 'General case' 0 N--CA 1.469 0.516 0 O-C-N 123.371 0.419 . . . . 0.0 111.563 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -96.98 130.98 44.23 Favored 'General case' 0 N--CA 1.467 0.386 0 O-C-N 123.316 0.385 . . . . 0.0 110.97 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 3.1 m -134.42 96.28 15.54 Favored Pre-proline 0 CA--C 1.547 0.828 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.247 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 13.4 Cg_exo . . . . . 0 C--N 1.374 1.91 0 C-N-CA 122.736 2.291 . . . . 0.0 112.818 179.493 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.234 0 CA-C-O 119.296 -0.724 . . . . 0.0 112.615 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 6.9 Cg_exo -75.05 139.86 24.64 Favored 'Trans proline' 0 C--N 1.37 1.672 0 C-N-CA 122.982 2.454 . . . . 0.0 112.833 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 10.2 t-105 -129.44 141.84 50.94 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.483 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.618 ' HZ2' ' NE2' ' A' ' 8' ' ' HIS . 97.4 mttt -101.76 131.85 47.83 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.899 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.524 ' O ' HG12 ' A' ' 9' ' ' ILE . 43.5 mt-10 -132.05 -36.3 1.18 Allowed 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.481 -179.78 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -95.24 -34.63 12.14 Favored 'General case' 0 N--CA 1.467 0.407 0 O-C-N 123.487 0.492 . . . . 0.0 111.793 -179.597 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 14.7 t -92.87 155.09 17.83 Favored 'General case' 0 N--CA 1.465 0.32 0 O-C-N 123.32 0.388 . . . . 0.0 111.275 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.618 ' NE2' ' HZ2' ' A' ' 4' ' ' LYS . 48.3 m-70 64.81 14.25 9.04 Favored 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 123.96 0.904 . . . . 0.0 112.928 179.829 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.524 HG12 ' O ' ' A' ' 5' ' ' GLU . 2.3 pp -120.03 -14.31 8.48 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.522 0 N-CA-C 111.988 0.366 . . . . 0.0 111.988 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 3.6 m -87.62 79.11 1.66 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 CA-C-O 121.333 0.587 . . . . 0.0 111.574 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 49.4 m -143.62 -43.87 0.28 Allowed 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.867 179.703 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -97.84 -12.18 22.45 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.691 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -87.73 -22.65 24.47 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 122.601 0.36 . . . . 0.0 111.748 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.4 t -77.43 -22.74 14.29 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 C-N-CA 122.713 0.405 . . . . 0.0 111.336 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -73.36 -44.22 35.01 Favored Glycine 0 C--N 1.345 1.041 0 CA-C-N 116.505 -0.316 . . . . 0.0 113.245 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -74.48 -32.14 62.45 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 122.576 0.35 . . . . 0.0 111.445 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.635 ' O ' HG12 ' A' ' 21' ' ' ILE . 97.0 mttt -72.37 -39.41 68.06 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.131 179.532 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 83.8 m -71.72 -36.87 70.64 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.948 178.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.563 ' O ' HG23 ' A' ' 23' ' ' VAL . 40.0 mt-10 -70.1 -31.71 69.41 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.141 178.86 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -73.09 -41.64 63.85 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.55 179.263 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.635 HG12 ' O ' ' A' ' 17' ' ' LYS . 39.3 mm -71.41 -27.37 28.65 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.898 178.63 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -71.12 -45.42 49.97 Favored Glycine 0 C--N 1.348 1.197 0 CA-C-N 115.924 -0.58 . . . . 0.0 112.436 178.651 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.563 HG23 ' O ' ' A' ' 19' ' ' GLU . 3.7 m -71.44 -30.63 40.12 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 CA-C-O 120.585 0.231 . . . . 0.0 111.547 179.054 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.433 ' O ' ' HB2' ' A' ' 28' ' ' LEU . 96.3 mttt -74.65 -34.13 62.66 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.959 178.784 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.3 tt -70.12 -41.95 73.27 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 115.921 -0.582 . . . . 0.0 111.0 179.086 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.9 mt -69.82 -38.32 76.52 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.011 179.151 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.464 ' HD2' ' OE1' ' A' ' 31' ' ' GLN . 2.1 t60 -71.41 -31.52 67.34 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.748 179.038 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.493 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 4.9 tp -74.92 -30.47 61.26 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.857 178.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -72.87 -41.02 65.17 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.091 178.663 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -69.89 -37.4 76.02 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.129 178.738 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.464 ' OE1' ' HD2' ' A' ' 27' ' ' HIS . 49.7 mt-30 -74.33 -29.87 61.79 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.527 179.189 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.493 ' HB2' ' O ' ' A' ' 28' ' ' LEU . 2.0 tt -73.57 -39.88 64.32 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.087 179.728 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.1 tt -71.61 -39.21 70.62 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.456 179.129 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -72.35 -28.16 68.43 Favored Glycine 0 C--N 1.344 1.014 0 CA-C-N 115.605 -0.725 . . . . 0.0 112.875 178.808 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -80.89 -31.04 35.37 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 122.586 0.354 . . . . 0.0 111.833 179.325 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 82.6 mtp -80.4 -32.18 37.56 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.653 179.703 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 10.4 t80 -81.27 -41.47 22.12 Favored 'General case' 0 N--CA 1.47 0.554 0 O-C-N 123.399 0.437 . . . . 0.0 111.411 179.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 53.7 m -86.72 -24.77 25.04 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 116.152 -0.476 . . . . 0.0 112.003 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 70.3 m-70 63.34 110.03 0.03 OUTLIER 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 123.805 0.842 . . . . 0.0 111.933 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -141.12 163.5 32.8 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.775 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -99.69 -40.43 7.77 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.421 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.73 -28.95 68.83 Favored 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 112.848 0.684 . . . . 0.0 112.848 -179.608 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.432 ' O ' ' HB2' ' A' ' 47' ' ' LEU . 4.3 mm? -67.27 -28.67 68.22 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 112.516 0.562 . . . . 0.0 112.516 -179.534 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 46.8 m-85 -74.82 -34.52 62.37 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 122.39 0.276 . . . . 0.0 111.675 179.621 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 -72.31 -42.36 65.52 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.805 179.219 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 52.1 m -69.26 -34.89 75.47 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.263 178.744 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.432 ' HB2' ' O ' ' A' ' 43' ' ' LEU . 4.5 tp -70.78 -36.62 73.12 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.601 179.484 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 -72.3 -39.3 68.39 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.782 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -71.57 -39.64 60.46 Favored Glycine 0 C--N 1.343 0.962 0 CA-C-N 116.176 -0.465 . . . . 0.0 112.928 179.479 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -71.95 -35.73 69.66 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 122.749 0.42 . . . . 0.0 111.513 179.647 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.8 tp -72.47 -35.7 68.28 Favored 'General case' 0 N--CA 1.47 0.551 0 O-C-N 123.572 0.545 . . . . 0.0 111.253 179.58 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -74.45 -31.41 62.25 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.205 179.096 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 17.2 p -74.5 -36.98 63.25 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.534 179.135 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 13.7 m -74.11 -34.18 37.6 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.989 178.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -71.54 -36.98 71.16 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.032 178.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -72.98 -33.17 65.66 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.017 178.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 11.5 p -73.78 -35.35 64.94 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.435 179.058 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 20.9 mt -72.92 -36.58 67.27 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.868 178.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.512 ' O ' HG13 ' A' ' 62' ' ' ILE . 9.6 tt0 -69.54 -38.35 77.46 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.636 178.833 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.38 -35.05 75.44 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.781 178.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.462 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 81.7 mtp -66.63 -43.18 85.41 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.5 179.247 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.512 HG13 ' O ' ' A' ' 59' ' ' GLN . 1.2 pt -74.4 -25.96 19.95 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 O-C-N 123.414 0.446 . . . . 0.0 111.817 179.662 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.4 mp -82.95 -20.61 34.92 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.216 178.651 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -86.96 -38.75 16.35 Favored 'General case' 0 N--CA 1.468 0.471 0 N-CA-C 112.305 0.483 . . . . 0.0 112.305 179.593 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.462 ' HG ' ' O ' ' A' ' 61' ' ' MET . 3.3 pp -94.82 -41.77 9.05 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 112.123 0.416 . . . . 0.0 112.123 -179.647 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -102.3 153.77 37.86 Favored Pre-proline 0 CA--C 1.537 0.477 0 O-C-N 123.219 0.325 . . . . 0.0 111.281 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo -79.83 153.92 22.91 Favored 'Trans proline' 0 C--N 1.375 1.934 0 C-N-CA 122.781 2.321 . . . . 0.0 112.795 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 17.0 p -142.01 146.25 35.35 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.01 179.723 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -98.33 143.78 28.43 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.972 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -101.2 152.01 21.16 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.701 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -98.02 149.93 21.93 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.147 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -98.66 -144.91 17.74 Favored Glycine 0 C--N 1.338 0.682 0 CA-C-N 115.831 -0.622 . . . . 0.0 112.546 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -118.78 -41.12 2.81 Favored 'General case' 0 N--CA 1.467 0.411 0 O-C-N 123.638 0.257 . . . . 0.0 111.241 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -97.88 150.0 21.77 Favored 'General case' 0 C--O 1.234 0.288 0 O-C-N 123.341 0.401 . . . . 0.0 111.353 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 52.6 m 62.81 124.83 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 123.964 0.906 . . . . 0.0 112.126 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -126.65 144.07 51.03 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.128 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 54.8 m -106.46 135.6 47.68 Favored 'General case' 0 C--O 1.234 0.277 0 O-C-N 123.708 0.63 . . . . 0.0 110.949 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 88.6 m-85 -98.87 114.05 65.1 Favored Pre-proline 0 CA--C 1.541 0.631 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.819 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 25.6 Cg_exo -64.39 151.71 84.42 Favored 'Trans proline' 0 C--N 1.376 2.001 0 C-N-CA 122.634 2.223 . . . . 0.0 112.991 179.466 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 41.2 p 52.41 107.48 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 124.216 1.006 . . . . 0.0 112.852 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -103.58 131.82 50.38 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.057 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 132.89 -74.8 0.43 Allowed Glycine 0 C--N 1.337 0.62 0 CA-C-N 115.827 -0.624 . . . . 0.0 112.474 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -100.26 146.77 26.51 Favored 'General case' 0 C--O 1.235 0.32 0 O-C-N 123.627 0.251 . . . . 0.0 111.139 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 19.8 mm-40 -100.41 141.06 33.78 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.783 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -124.0 138.75 54.41 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.896 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 18.7 p -139.02 144.47 38.88 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.063 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -128.49 145.11 51.2 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.839 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -100.13 137.55 38.41 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.187 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 12.2 mt -107.86 -42.91 4.58 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.314 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 4.0 m -129.91 157.86 75.57 Favored Pre-proline 0 CA--C 1.545 0.771 0 O-C-N 123.358 0.411 . . . . 0.0 111.308 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_exo -75.43 157.67 40.88 Favored 'Trans proline' 0 C--N 1.375 1.95 0 C-N-CA 122.585 2.19 . . . . 0.0 112.748 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -128.11 131.1 49.03 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.851 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 110.59 -92.29 0.67 Allowed Glycine 0 C--N 1.338 0.677 0 CA-C-N 115.864 -0.607 . . . . 0.0 112.465 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 53.3 m -100.31 144.63 29.1 Favored 'General case' 0 C--O 1.235 0.295 0 C-N-CA 122.329 0.252 . . . . 0.0 110.914 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -107.86 58.97 0.39 Allowed Glycine 0 C--N 1.338 0.688 0 CA-C-N 115.86 -0.609 . . . . 0.0 112.498 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -127.67 131.91 49.75 Favored 'General case' 0 C--O 1.235 0.31 0 O-C-N 123.702 0.296 . . . . 0.0 110.557 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 167.98 145.53 4.58 Favored Glycine 0 C--N 1.336 0.531 0 O-C-N 123.672 0.607 . . . . 0.0 112.652 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -129.09 -38.66 1.6 Allowed 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 122.364 0.265 . . . . 0.0 111.236 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . 0.409 ' O ' ' HG3' ' A' ' 103' ' ' LYS . 41.8 m-80 -92.99 -8.91 41.7 Favored 'General case' 0 N--CA 1.468 0.459 0 O-C-N 123.38 0.425 . . . . 0.0 111.775 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -88.16 -21.12 24.78 Favored 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 111.931 0.345 . . . . 0.0 111.931 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -76.95 -29.95 55.84 Favored 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 112.193 0.442 . . . . 0.0 112.193 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 13.3 mt -86.18 -26.61 25.03 Favored 'General case' 0 N--CA 1.469 0.516 0 O-C-N 123.481 0.488 . . . . 0.0 111.84 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . 0.409 ' HG3' ' O ' ' A' ' 99' ' ' ASN . 96.4 mttt -67.74 -37.46 82.19 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 112.132 0.419 . . . . 0.0 112.132 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -64.52 -38.95 92.81 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 122.783 0.433 . . . . 0.0 111.55 179.562 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 59.0 mttp -74.78 -33.5 62.28 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.271 179.61 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -71.51 -36.41 71.06 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.531 179.426 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 -75.61 -35.46 60.5 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.42 179.282 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' SER . . . . . 0.43 ' O ' ' HG3' ' A' ' 112' ' ' GLU . 16.1 t -70.57 -41.44 72.41 Favored 'General case' 0 N--CA 1.471 0.592 0 O-C-N 123.309 0.381 . . . . 0.0 110.991 179.047 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 26.8 mt -70.68 -35.92 73.06 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.147 179.262 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -69.74 -34.43 73.82 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.269 179.01 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -74.44 -29.9 61.67 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.853 178.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.43 ' HG3' ' O ' ' A' ' 108' ' ' SER . 45.2 mt-10 -73.44 -38.24 65.58 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.458 178.842 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 13.6 mt -74.34 -34.21 36.08 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.247 179.272 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 52.9 mt-30 -72.64 -34.03 67.01 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.012 178.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 10.4 t80 -72.19 -38.2 69.12 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.614 179.189 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.683 ' O ' HG12 ' A' ' 120' ' ' ILE . 15.1 mt -68.2 -38.4 81.92 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.895 178.713 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 64.1 mttm -68.34 -37.93 81.01 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.33 179.273 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -68.81 -33.71 74.3 Favored 'General case' 0 N--CA 1.47 0.56 0 O-C-N 123.459 0.474 . . . . 0.0 111.425 178.75 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 16.5 mt -71.33 -38.96 71.66 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.789 179.299 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . 0.683 HG12 ' O ' ' A' ' 116' ' ' LEU . 28.5 mm -72.28 -33.66 46.87 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 O-C-N 123.356 0.41 . . . . 0.0 110.443 179.302 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -73.02 -33.57 65.82 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.452 179.259 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -74.94 -34.99 62.16 Favored 'General case' 0 N--CA 1.47 0.557 0 O-C-N 123.515 0.509 . . . . 0.0 111.433 179.493 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . 0.507 HG11 ' O ' ' A' ' 120' ' ' ILE . 9.9 p -74.87 -34.51 33.34 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.813 0 O-C-N 123.413 0.446 . . . . 0.0 110.606 178.897 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -71.17 -37.64 72.19 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.369 178.694 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -73.89 -36.56 64.78 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.853 179.504 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -75.35 -40.72 57.91 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 116.035 -0.529 . . . . 0.0 112.065 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 28.1 mmt180 -119.2 130.47 55.51 Favored 'General case' 0 C--O 1.235 0.317 0 O-C-N 123.517 0.51 . . . . 0.0 110.821 179.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 152.64 -62.56 0.38 Allowed Glycine 0 C--N 1.339 0.695 0 CA-C-N 115.819 -0.628 . . . . 0.0 112.524 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -128.37 -42.3 1.5 Allowed 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 122.286 0.234 . . . . 0.0 111.179 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -100.23 136.52 40.0 Favored 'General case' 0 N--CA 1.467 0.377 0 O-C-N 123.361 0.413 . . . . 0.0 110.828 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 74.6 mtp180 -113.52 -42.67 3.43 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.192 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 3.9 m -104.74 158.74 31.36 Favored Pre-proline 0 CA--C 1.545 0.754 0 O-C-N 123.405 0.441 . . . . 0.0 111.215 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 6.4 Cg_exo . . . . . 0 C--N 1.376 1.999 0 C-N-CA 122.514 2.142 . . . . 0.0 112.742 179.762 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.255 0 CA-C-O 119.223 -0.765 . . . . 0.0 112.548 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_exo -75.92 143.04 25.81 Favored 'Trans proline' 0 C--N 1.37 1.691 0 C-N-CA 122.954 2.436 . . . . 0.0 112.772 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 93.3 m95 -102.53 131.5 49.21 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.901 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -128.61 -39.99 1.61 Allowed 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.269 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.432 ' O ' HG12 ' A' ' 9' ' ' ILE . 48.0 mt-10 -99.56 149.61 23.08 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.757 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -130.79 -35.35 1.45 Allowed 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.707 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 13.7 t -88.94 -21.22 23.68 Favored 'General case' 0 N--CA 1.469 0.482 0 N-CA-C 112.102 0.408 . . . . 0.0 112.102 -179.634 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 66.9 m-70 -95.33 -15.52 23.04 Favored 'General case' 0 N--CA 1.468 0.438 0 N-CA-C 112.023 0.379 . . . . 0.0 112.023 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.432 HG12 ' O ' ' A' ' 5' ' ' GLU . 2.4 pp -91.88 -5.43 10.77 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 N-CA-C 112.206 0.447 . . . . 0.0 112.206 -179.866 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 5.3 m -89.26 69.11 0.65 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.604 0 CA-C-O 121.444 0.64 . . . . 0.0 111.338 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 52.9 m -138.73 -39.64 0.5 Allowed 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 115.224 -0.898 . . . . 0.0 111.118 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -95.51 -26.56 15.76 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.832 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -84.54 -22.66 30.05 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 122.55 0.34 . . . . 0.0 111.834 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.42 ' HB ' ' NH2' ' A' ' 127' ' ' ARG . 1.6 m -77.44 -36.07 23.0 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 N-CA-C 112.456 0.539 . . . . 0.0 112.456 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -57.3 -38.34 86.0 Favored Glycine 0 C--N 1.341 0.842 0 O-C-N 123.598 0.561 . . . . 0.0 114.012 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -75.63 -32.53 60.28 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 122.463 0.305 . . . . 0.0 111.286 179.56 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -75.52 -33.98 60.76 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.843 179.057 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.555 ' O ' HG22 ' A' ' 21' ' ' ILE . 48.5 t -72.95 -38.81 66.62 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.718 178.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.555 ' O ' HG21 ' A' ' 23' ' ' VAL . 42.8 mt-10 -70.24 -37.32 74.94 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.408 178.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.3 -38.03 68.83 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.513 179.522 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.555 HG22 ' O ' ' A' ' 18' ' ' CYS . 1.3 tp -72.34 -28.46 28.84 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.792 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.459 179.1 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -73.04 -42.81 42.85 Favored Glycine 0 C--N 1.349 1.266 0 CA-C-N 115.705 -0.68 . . . . 0.0 112.433 178.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.555 HG21 ' O ' ' A' ' 19' ' ' GLU . 2.9 m -71.21 -32.95 49.12 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 122.236 0.214 . . . . 0.0 111.232 178.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -71.61 -37.12 70.97 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.104 178.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.5 tp -69.82 -39.01 76.75 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.453 179.289 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.4 mt -69.63 -41.73 75.25 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.809 179.763 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 21.5 m80 -70.75 -31.77 68.7 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.439 179.264 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.441 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 0.8 OUTLIER -74.92 -31.49 61.55 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.355 179.036 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -72.86 -40.86 65.33 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.992 179.018 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -69.96 -37.64 75.87 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.246 178.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -74.4 -28.45 61.1 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.469 179.154 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.441 ' HB2' ' O ' ' A' ' 28' ' ' LEU . 3.6 tt -73.38 -41.5 63.29 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 122.855 0.462 . . . . 0.0 110.984 179.577 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.464 ' O ' ' HD2' ' A' ' 37' ' ' TYR . 8.8 mt -71.55 -37.53 71.09 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.705 178.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -71.97 -29.3 67.19 Favored Glycine 0 C--N 1.344 0.989 0 CA-C-N 115.722 -0.672 . . . . 0.0 112.465 178.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -80.99 -28.62 35.48 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 122.709 0.404 . . . . 0.0 111.582 178.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 36.5 mtt -78.21 -34.93 49.08 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 116.252 -0.431 . . . . 0.0 112.138 179.695 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.464 ' HD2' ' O ' ' A' ' 33' ' ' LEU . 16.0 m-85 -77.0 -33.21 57.6 Favored 'General case' 0 N--CA 1.472 0.66 0 O-C-N 123.385 0.428 . . . . 0.0 112.028 179.737 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 69.8 p -86.57 -22.68 26.15 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.867 179.734 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 65.9 m80 63.01 104.47 0.03 OUTLIER 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 123.895 0.878 . . . . 0.0 111.811 -179.703 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -143.73 161.86 37.49 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.797 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -101.16 -40.77 7.02 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.574 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.92 -38.18 85.72 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 112.705 0.632 . . . . 0.0 112.705 -179.646 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 6.4 mp -69.87 -28.85 65.99 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 112.365 0.505 . . . . 0.0 112.365 -179.628 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -70.88 -37.26 73.04 Favored 'General case' 0 N--CA 1.472 0.659 0 O-C-N 123.262 0.351 . . . . 0.0 111.173 179.141 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 54.9 mt-30 -72.32 -37.62 68.87 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.561 178.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 16.3 t -69.12 -37.83 78.57 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.995 178.586 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 19.8 mt -70.72 -33.73 71.16 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.75 179.207 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -71.46 -41.11 69.81 Favored 'General case' 0 N--CA 1.474 0.759 0 O-C-N 123.414 0.447 . . . . 0.0 111.406 179.415 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -71.5 -37.84 62.18 Favored Glycine 0 C--N 1.344 1.02 0 CA-C-N 116.055 -0.52 . . . . 0.0 112.542 179.094 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.56 ' O ' HG22 ' A' ' 54' ' ' VAL . 41.6 mt-10 -71.05 -35.73 72.04 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 122.787 0.435 . . . . 0.0 111.022 179.261 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.8 tp -71.2 -35.01 71.39 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.853 179.167 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 54.0 mt-30 -73.22 -31.98 64.48 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.261 179.013 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 18.6 p -75.1 -35.9 61.72 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.397 179.055 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.56 HG22 ' O ' ' A' ' 50' ' ' GLU . 85.1 t -74.11 -34.42 38.3 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.31 179.138 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -74.23 -34.62 63.72 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.112 179.034 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -73.04 -34.39 66.28 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.96 178.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 18.5 p -73.48 -36.36 65.79 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.991 178.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.7 tt -69.98 -38.52 76.07 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.644 179.114 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 11.9 mm100 -69.66 -38.63 77.17 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.143 179.055 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -70.32 -29.41 66.12 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 115.8 -0.637 . . . . 0.0 111.29 178.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.534 ' O ' ' HB2' ' A' ' 65' ' ' LEU . 5.6 tmm? -73.4 -43.27 60.88 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.096 179.315 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 2.2 pp -75.09 -24.7 17.89 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.679 179.613 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.9 tp -82.3 -30.91 30.27 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.663 178.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 54.0 mt-30 -90.4 -15.73 30.43 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.294 179.265 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.534 ' HB2' ' O ' ' A' ' 61' ' ' MET . 2.3 tt -73.08 -34.78 66.42 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 122.81 0.444 . . . . 0.0 111.495 179.555 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 15.7 tt0 -94.76 110.27 48.5 Favored Pre-proline 0 CA--C 1.545 0.757 0 O-C-N 123.539 0.524 . . . . 0.0 110.599 179.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 25.0 Cg_exo -64.35 -34.9 53.21 Favored 'Trans proline' 0 C--N 1.374 1.901 0 C-N-CA 122.586 2.19 . . . . 0.0 113.483 179.671 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 7.5 t -114.51 144.42 43.38 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.104 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 59.1 mttp -114.88 134.49 55.1 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.749 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -128.62 -43.26 1.41 Allowed 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.233 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -103.11 144.38 31.38 Favored 'General case' 0 C--O 1.236 0.347 0 O-C-N 123.376 0.422 . . . . 0.0 111.227 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -106.96 -57.07 0.61 Allowed Glycine 0 C--N 1.336 0.564 0 O-C-N 123.664 0.603 . . . . 0.0 112.464 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -100.84 133.55 45.15 Favored 'General case' 0 C--O 1.236 0.367 0 O-C-N 123.636 0.256 . . . . 0.0 110.831 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -99.4 -42.41 6.98 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.522 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 52.8 m -127.74 141.55 51.56 Favored 'General case' 0 C--O 1.234 0.286 0 O-C-N 123.405 0.44 . . . . 0.0 110.991 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -126.11 -42.27 1.88 Allowed 'General case' 0 C--O 1.236 0.353 0 O-C-N 123.662 0.601 . . . . 0.0 111.419 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 40.2 p -117.61 150.72 38.55 Favored 'General case' 0 C--O 1.236 0.348 0 O-C-N 123.355 0.409 . . . . 0.0 110.984 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 89.6 m-85 -97.74 157.92 33.85 Favored Pre-proline 0 CA--C 1.539 0.555 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.007 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 6.8 Cg_exo -74.12 -34.44 4.96 Favored 'Trans proline' 0 C--N 1.377 2.054 0 C-N-CA 122.656 2.237 . . . . 0.0 113.182 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 18.9 p -98.09 144.32 27.7 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.18 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -125.8 -42.83 1.89 Allowed 'General case' 0 C--O 1.235 0.312 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.469 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -154.65 83.45 0.15 Allowed Glycine 0 C--N 1.341 0.816 0 O-C-N 123.411 0.445 . . . . 0.0 112.567 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -125.96 137.83 53.72 Favored 'General case' 0 C--O 1.235 0.336 0 C-N-CA 122.299 0.24 . . . . 0.0 111.152 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 54.7 mt-30 -128.62 -43.02 1.42 Allowed 'General case' 0 C--O 1.236 0.368 0 O-C-N 123.634 0.584 . . . . 0.0 111.187 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -130.08 137.3 50.12 Favored 'General case' 0 N--CA 1.465 0.296 0 O-C-N 123.287 0.367 . . . . 0.0 110.91 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 5.7 t -138.32 -43.96 0.5 Allowed 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 115.813 -0.631 . . . . 0.0 111.275 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -129.93 145.96 51.63 Favored 'General case' 0 C--O 1.235 0.338 0 O-C-N 123.518 0.511 . . . . 0.0 110.886 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -99.88 126.32 45.99 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.226 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 11.8 mt -131.57 -42.67 1.03 Allowed 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.135 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 3.2 m -139.5 105.63 7.06 Favored Pre-proline 0 CA--C 1.547 0.833 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.197 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 25.9 Cg_exo -64.11 -34.04 59.24 Favored 'Trans proline' 0 C--N 1.375 1.922 0 C-N-CA 122.637 2.225 . . . . 0.0 113.224 179.552 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 84.1 mtm180 -128.84 133.81 48.11 Favored 'General case' 0 N--CA 1.465 0.278 0 O-C-N 123.392 0.433 . . . . 0.0 110.863 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -100.87 149.87 18.59 Favored Glycine 0 C--N 1.336 0.558 0 O-C-N 123.716 0.635 . . . . 0.0 112.547 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 41.8 p -112.41 146.08 39.01 Favored 'General case' 0 C--O 1.236 0.347 0 C-N-CA 122.318 0.247 . . . . 0.0 110.956 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 149.95 -120.3 1.13 Allowed Glycine 0 C--N 1.337 0.621 0 CA-C-N 115.884 -0.598 . . . . 0.0 112.428 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -99.19 -42.3 7.11 Favored 'General case' 0 N--CA 1.466 0.327 0 C-N-CA 122.319 0.248 . . . . 0.0 111.231 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 166.4 -100.01 0.17 Allowed Glycine 0 C--N 1.34 0.773 0 O-C-N 123.427 0.454 . . . . 0.0 112.469 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -100.55 142.51 31.92 Favored 'General case' 0 N--CA 1.464 0.271 0 C-N-CA 122.341 0.256 . . . . 0.0 110.831 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -118.69 121.55 40.4 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.817 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -132.21 -36.04 1.16 Allowed 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.046 179.799 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -76.87 -29.69 55.92 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.692 179.642 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 15.5 mt -84.67 -27.23 27.23 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.74 179.798 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -74.67 -39.56 61.95 Favored 'General case' 0 N--CA 1.473 0.686 0 O-C-N 123.256 0.347 . . . . 0.0 111.753 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -64.66 -39.53 93.84 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 122.804 0.442 . . . . 0.0 111.591 179.404 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.461 ' O ' HD22 ' A' ' 109' ' ' LEU . 97.1 mttt -78.16 -31.55 49.77 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.502 179.834 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -71.53 -40.1 70.3 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.551 179.191 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -75.86 -36.84 59.44 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.888 179.59 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 74.1 m -70.28 -41.74 73.0 Favored 'General case' 0 N--CA 1.473 0.69 0 O-C-N 123.228 0.33 . . . . 0.0 111.287 179.397 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.461 HD22 ' O ' ' A' ' 105' ' ' LYS . 4.3 mm? -72.31 -33.36 67.32 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.282 179.264 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -69.72 -35.3 74.91 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.881 178.473 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.444 ' O ' ' HD2' ' A' ' 115' ' ' TYR . 66.0 mttm -73.83 -30.69 62.84 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.645 178.685 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.476 ' O ' HD13 ' A' ' 116' ' ' LEU . 38.5 mt-10 -71.43 -38.32 71.37 Favored 'General case' 0 N--CA 1.471 0.623 0 O-C-N 123.57 0.544 . . . . 0.0 111.172 178.711 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 15.6 mt -73.91 -33.22 36.22 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.109 178.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 -70.77 -36.35 73.02 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.147 178.704 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . 0.444 ' HD2' ' O ' ' A' ' 111' ' ' LYS . 4.0 m-85 -72.31 -36.04 68.79 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.7 178.875 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.476 HD13 ' O ' ' A' ' 112' ' ' GLU . 1.0 OUTLIER -67.31 -39.83 85.94 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.094 178.62 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 27.1 tttm -70.01 -37.19 75.58 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.99 179.608 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -68.97 -32.53 72.18 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.407 178.787 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 13.0 mt -72.78 -40.12 66.18 Favored 'General case' 0 N--CA 1.471 0.595 0 O-C-N 123.382 0.426 . . . . 0.0 111.525 179.43 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . 0.529 ' O ' HG11 ' A' ' 123' ' ' VAL . 11.5 mt -72.32 -33.31 45.61 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.215 178.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -73.04 -31.91 64.74 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.574 179.054 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -74.99 -37.2 61.92 Favored 'General case' 0 N--CA 1.471 0.586 0 O-C-N 123.4 0.437 . . . . 0.0 111.313 179.287 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . 0.529 HG11 ' O ' ' A' ' 120' ' ' ILE . 9.4 p -72.29 -36.35 55.29 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.907 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.636 179.047 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -71.16 -37.88 72.21 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.338 178.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -73.89 -30.23 62.5 Favored 'General case' 0 N--CA 1.471 0.625 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.778 179.379 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -74.99 -39.1 61.43 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.771 179.516 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . 0.424 ' NH1' HG21 ' A' ' 123' ' ' VAL . 10.2 mtp-105 -94.13 129.36 40.73 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.737 179.383 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -142.77 158.4 27.07 Favored Glycine 0 C--N 1.338 0.662 0 CA-C-N 115.957 -0.565 . . . . 0.0 112.818 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 59.0 mttp -129.03 130.78 47.02 Favored 'General case' 0 C--O 1.235 0.301 0 C-N-CA 122.376 0.27 . . . . 0.0 110.725 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -113.2 -41.62 3.67 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.272 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -99.24 130.14 45.52 Favored 'General case' 0 N--CA 1.466 0.36 0 O-C-N 123.412 0.445 . . . . 0.0 110.925 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 3.4 m -104.55 107.28 57.55 Favored Pre-proline 0 CA--C 1.545 0.777 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.318 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_exo . . . . . 0 C--N 1.375 1.962 0 C-N-CA 122.607 2.205 . . . . 0.0 112.916 179.51 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.185 0 CA-C-O 119.193 -0.782 . . . . 0.0 112.541 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 5.5 Cg_exo -75.6 -35.36 2.78 Favored 'Trans proline' 0 C--N 1.369 1.645 0 C-N-CA 123.056 2.504 . . . . 0.0 113.06 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 14.2 t-105 -124.54 125.36 44.07 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.631 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -133.07 -39.85 0.93 Allowed 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.292 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -97.54 152.32 19.13 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.019 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -95.65 119.85 34.88 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.038 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 52.3 m -127.77 -46.02 1.43 Allowed 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.717 179.675 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 68.8 m-70 -130.57 93.49 3.45 Favored 'General case' 0 C--O 1.238 0.477 0 CA-C-O 121.264 0.554 . . . . 0.0 110.099 179.325 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.1 pp -143.42 5.19 0.34 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.574 0 CA-C-N 115.461 -0.79 . . . . 0.0 111.892 -179.534 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.484 ' HB ' ' NH2' ' A' ' 127' ' ' ARG . 4.3 m -88.62 -34.97 7.36 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.947 -179.871 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 52.5 m -89.88 -13.54 36.2 Favored 'General case' 0 CA--C 1.537 0.446 0 O-C-N 123.428 0.455 . . . . 0.0 112.022 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -96.5 -29.01 14.14 Favored 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 112.203 0.446 . . . . 0.0 112.203 -179.63 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -84.41 -22.02 30.58 Favored 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 112.124 0.416 . . . . 0.0 112.124 -179.696 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.4 m -71.72 -37.4 62.55 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 N-CA-C 112.673 0.62 . . . . 0.0 112.673 -179.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -59.35 -39.37 94.65 Favored Glycine 0 C--N 1.342 0.916 0 CA-C-N 116.24 -0.436 . . . . 0.0 113.829 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -76.68 -35.58 57.82 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 122.553 0.341 . . . . 0.0 111.489 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.462 ' HD3' ' SD ' ' A' ' 61' ' ' MET . 97.4 mttt -74.39 -34.16 63.23 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.038 179.303 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.548 ' O ' HG23 ' A' ' 21' ' ' ILE . 91.8 m -74.54 -36.21 63.14 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.729 178.852 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.557 ' O ' HG21 ' A' ' 23' ' ' VAL . 9.3 tt0 -70.33 -36.53 74.32 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.988 178.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.53 -38.61 68.0 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.519 179.275 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.548 HG23 ' O ' ' A' ' 18' ' ' CYS . 1.7 tp -72.31 -27.6 26.84 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.816 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.391 178.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -73.19 -43.64 38.51 Favored Glycine 0 C--N 1.348 1.219 0 CA-C-N 115.774 -0.648 . . . . 0.0 112.355 178.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.557 HG21 ' O ' ' A' ' 19' ' ' GLU . 2.8 m -71.06 -31.86 46.24 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 CA-C-O 120.63 0.252 . . . . 0.0 111.019 178.81 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 38.0 mttp -73.9 -35.13 64.63 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.929 178.436 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.464 ' O ' ' HB2' ' A' ' 29' ' ' GLU . 2.6 tt -70.01 -37.37 75.65 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 123.057 0.543 . . . . 0.0 111.096 179.231 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.4 mt -73.96 -36.87 64.63 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.467 179.386 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 8.5 t-80 -74.12 -35.85 64.17 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.893 179.202 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.439 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 2.6 tt -74.98 -30.55 61.21 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.809 179.199 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.523 ' O ' HD21 ' A' ' 33' ' ' LEU . 12.4 tt0 -73.97 -38.68 64.1 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.599 179.197 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -69.99 -38.9 76.13 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.812 178.776 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 53.6 mt-30 -74.07 -28.67 61.51 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.52 179.418 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.54 ' O ' ' HB2' ' A' ' 36' ' ' MET . 2.0 tt -75.43 -37.92 60.1 Favored 'General case' 0 N--CA 1.471 0.609 0 O-C-N 123.43 0.457 . . . . 0.0 111.079 179.537 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.523 HD21 ' O ' ' A' ' 29' ' ' GLU . 3.8 mm? -71.54 -39.19 70.87 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.812 179.078 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -71.79 -33.33 63.21 Favored Glycine 0 C--N 1.344 0.995 0 CA-C-N 115.682 -0.69 . . . . 0.0 112.438 178.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -81.22 -22.53 38.73 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 122.617 0.367 . . . . 0.0 111.699 178.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.54 ' HB2' ' O ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -79.79 -38.43 33.07 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.415 179.659 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.434 ' HD1' ' O ' ' A' ' 33' ' ' LEU . 33.7 m-85 -81.11 -35.35 31.74 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.962 179.49 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 14.6 t -86.53 -32.36 20.77 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.47 179.686 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 9.2 t-80 61.5 109.85 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 123.901 0.881 . . . . 0.0 111.822 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -143.02 165.38 27.54 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.387 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -93.1 -40.24 10.62 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.492 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.95 -40.23 87.46 Favored 'General case' 0 N--CA 1.473 0.675 0 N-CA-C 112.741 0.645 . . . . 0.0 112.741 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 22.0 mt -71.76 -30.02 65.12 Favored 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 112.271 0.471 . . . . 0.0 112.271 -179.563 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -70.86 -37.14 73.09 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 122.429 0.291 . . . . 0.0 111.473 179.609 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -72.76 -40.16 66.21 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.511 178.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 56.2 m -69.08 -37.89 78.7 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.24 178.648 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.459 ' O ' ' HB2' ' A' ' 51' ' ' LEU . 15.5 mt -70.97 -33.67 70.66 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.937 179.407 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -72.65 -39.64 67.0 Favored 'General case' 0 N--CA 1.472 0.674 0 O-C-N 123.382 0.426 . . . . 0.0 111.547 179.654 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -71.57 -37.31 62.11 Favored Glycine 0 C--N 1.343 0.965 0 CA-C-N 116.187 -0.461 . . . . 0.0 112.52 179.097 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.406 ' OE2' HD13 ' A' ' 28' ' ' LEU . 11.1 tt0 -73.04 -35.31 66.71 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 122.963 0.505 . . . . 0.0 110.96 179.174 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.56 ' O ' HG12 ' A' ' 54' ' ' VAL . 2.3 tt -71.17 -35.19 71.54 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.017 179.354 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -73.93 -35.0 64.54 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.098 179.006 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 19.2 p -73.16 -34.03 65.82 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.477 178.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.56 HG12 ' O ' ' A' ' 51' ' ' LEU . 6.9 p -75.37 -34.26 29.87 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.862 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.626 179.423 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 44.9 mttm -73.68 -32.93 64.21 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.024 178.698 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -72.75 -38.25 67.44 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.473 178.703 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 12.7 p -71.1 -35.94 71.99 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.184 178.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.5 tt -71.24 -36.27 71.75 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.624 179.248 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.44 ' O ' HG13 ' A' ' 62' ' ' ILE . 50.0 mt-30 -69.44 -37.33 77.33 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.962 178.771 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.73 -34.09 73.36 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.186 178.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.462 ' SD ' ' HD3' ' A' ' 17' ' ' LYS . 38.5 mmm -69.9 -41.01 75.26 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 115.815 -0.629 . . . . 0.0 111.602 179.072 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.44 HG13 ' O ' ' A' ' 59' ' ' GLN . 1.7 pp -75.62 -27.26 18.72 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 CA-C-N 116.297 -0.411 . . . . 0.0 112.092 179.628 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 23.4 mt -79.32 -30.73 42.91 Favored 'General case' 0 N--CA 1.471 0.625 0 O-C-N 123.343 0.402 . . . . 0.0 111.274 179.063 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 4.4 tp60 -83.79 -30.27 26.71 Favored 'General case' 0 CA--C 1.537 0.456 0 O-C-N 123.487 0.492 . . . . 0.0 111.119 179.213 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.4 ' O ' ' HD3' ' A' ' 67' ' ' PRO . 16.4 mt -103.23 66.88 0.91 Allowed 'General case' 0 C--O 1.238 0.469 0 CA-C-O 121.412 0.625 . . . . 0.0 110.304 179.664 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 54.9 mt-30 -96.11 104.41 16.95 Favored Pre-proline 0 CA--C 1.543 0.693 0 CA-C-N 115.315 -0.857 . . . . 0.0 111.045 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.4 ' HD3' ' O ' ' A' ' 65' ' ' LEU . 14.1 Cg_exo -70.84 156.61 60.19 Favored 'Trans proline' 0 C--N 1.375 1.935 0 C-N-CA 122.555 2.17 . . . . 0.0 112.624 179.293 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 5.5 t -105.49 116.64 32.29 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.143 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -134.79 148.22 50.15 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.792 179.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -100.47 141.17 33.7 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.872 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.423 ' HB3' ' OE1' ' A' ' 73' ' ' GLU . . . -100.75 149.45 23.8 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.13 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -117.2 92.3 0.55 Allowed Glycine 0 C--N 1.337 0.636 0 CA-C-N 115.841 -0.618 . . . . 0.0 112.577 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.423 ' OE1' ' HB3' ' A' ' 71' ' ' ALA . 2.2 mp0 -111.3 145.38 38.91 Favored 'General case' 0 C--O 1.234 0.249 0 O-C-N 123.662 0.271 . . . . 0.0 110.797 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -116.5 -42.14 3.03 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.504 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 16.2 t -100.14 144.68 28.88 Favored 'General case' 0 C--O 1.235 0.317 0 O-C-N 123.407 0.442 . . . . 0.0 110.77 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -99.97 -42.21 6.86 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.452 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 54.1 m -100.01 132.0 45.64 Favored 'General case' 0 C--O 1.235 0.319 0 O-C-N 123.409 0.443 . . . . 0.0 110.906 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 36.1 p90 -128.8 158.12 73.33 Favored Pre-proline 0 CA--C 1.544 0.748 0 O-C-N 123.674 0.609 . . . . 0.0 111.019 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 7.5 Cg_exo -74.16 148.45 39.44 Favored 'Trans proline' 0 C--N 1.376 2.007 0 C-N-CA 122.493 2.129 . . . . 0.0 112.721 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 18.9 p -138.18 138.78 38.9 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.057 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -126.02 145.49 50.29 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.125 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -179.67 -141.1 4.42 Favored Glycine 0 C--N 1.338 0.643 0 O-C-N 123.701 0.625 . . . . 0.0 112.427 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -100.6 135.98 41.19 Favored 'General case' 0 C--O 1.235 0.29 0 O-C-N 123.624 0.25 . . . . 0.0 111.063 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -128.66 -42.86 1.42 Allowed 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.299 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -121.73 -42.72 2.4 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.963 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 18.6 p -99.13 137.52 37.53 Favored 'General case' 0 N--CA 1.465 0.29 0 O-C-N 123.394 0.434 . . . . 0.0 111.13 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -103.75 144.49 31.4 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.813 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -101.99 142.98 32.43 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.131 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 5.8 mp -108.12 147.8 30.74 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.87 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 3.2 m -125.4 104.37 28.45 Favored Pre-proline 0 CA--C 1.545 0.781 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.243 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo -65.11 150.76 87.39 Favored 'Trans proline' 0 C--N 1.375 1.955 0 C-N-CA 122.662 2.241 . . . . 0.0 113.028 179.431 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -119.3 -42.85 2.65 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.257 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 112.33 139.1 7.53 Favored Glycine 0 C--N 1.341 0.827 0 O-C-N 123.437 0.461 . . . . 0.0 112.508 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 40.5 p -127.75 146.41 50.59 Favored 'General case' 0 C--O 1.236 0.347 0 O-C-N 123.638 0.258 . . . . 0.0 110.983 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 108.19 159.55 20.16 Favored Glycine 0 C--N 1.337 0.584 0 CA-C-N 115.894 -0.593 . . . . 0.0 112.674 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -98.92 146.39 26.04 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 122.266 0.226 . . . . 0.0 110.844 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -143.68 -164.96 10.6 Favored Glycine 0 C--N 1.337 0.59 0 CA-C-N 115.818 -0.628 . . . . 0.0 112.839 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -125.61 -38.46 2.24 Favored 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 122.359 0.264 . . . . 0.0 111.257 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 42.3 m-80 -93.0 -10.62 35.61 Favored 'General case' 0 N--CA 1.468 0.459 0 O-C-N 123.472 0.483 . . . . 0.0 111.757 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -89.14 -26.65 21.19 Favored 'General case' 0 N--CA 1.47 0.548 0 O-C-N 123.23 0.331 . . . . 0.0 111.697 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -76.84 -29.88 56.09 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 112.248 0.462 . . . . 0.0 112.248 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 12.3 mt -83.85 -26.69 29.27 Favored 'General case' 0 N--CA 1.47 0.56 0 O-C-N 123.463 0.477 . . . . 0.0 111.961 -179.672 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -72.63 -37.93 67.89 Favored 'General case' 0 N--CA 1.473 0.706 0 N-CA-C 112.011 0.375 . . . . 0.0 112.011 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -64.61 -41.38 96.24 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 122.719 0.408 . . . . 0.0 111.603 179.533 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -74.94 -34.27 62.07 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 115.954 -0.567 . . . . 0.0 111.396 179.751 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -71.43 -37.81 71.41 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.707 179.331 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -75.67 -33.22 60.4 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.606 179.522 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 68.8 m -72.89 -38.96 66.77 Favored 'General case' 0 N--CA 1.471 0.595 0 O-C-N 123.293 0.371 . . . . 0.0 111.382 179.125 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 21.3 mt -75.82 -31.68 59.49 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.322 179.541 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . 0.517 ' O ' HG22 ' A' ' 113' ' ' ILE . . . -73.82 -36.83 64.99 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.347 179.227 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -74.71 -34.69 62.65 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.95 179.148 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.496 ' O ' ' HB2' ' A' ' 116' ' ' LEU . 40.2 mt-10 -73.91 -32.61 63.62 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.591 178.855 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.517 HG22 ' O ' ' A' ' 110' ' ' ALA . 3.3 tp -77.27 -33.34 19.85 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.761 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.802 179.36 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -73.7 -36.93 65.3 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.884 178.721 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -72.76 -35.95 67.58 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.08 178.735 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.617 ' O ' HG12 ' A' ' 120' ' ' ILE . 0.2 OUTLIER -66.29 -40.23 89.89 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.657 178.828 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -66.06 -44.09 85.52 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.033 179.111 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . 0.443 ' O ' ' HB2' ' A' ' 122' ' ' GLU . 10.4 m-20 -68.9 -24.86 64.36 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.99 178.358 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.41 ' O ' HG23 ' A' ' 123' ' ' VAL . 1.2 tt -73.32 -38.9 65.64 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.11 179.288 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . 0.617 HG12 ' O ' ' A' ' 116' ' ' LEU . 26.6 mm -71.96 -37.82 62.23 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.11 179.065 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -72.7 -28.36 62.63 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.376 179.075 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . 0.443 ' HB2' ' O ' ' A' ' 118' ' ' ASP . 11.3 tt0 -75.93 -39.17 56.69 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.207 179.506 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . 0.41 HG23 ' O ' ' A' ' 119' ' ' LEU . 5.8 m -73.62 -33.37 38.61 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 O-C-N 123.247 0.342 . . . . 0.0 110.946 178.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 37.7 ttt180 -70.92 -38.99 72.94 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.835 178.678 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -74.09 -30.45 62.36 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.645 179.119 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -75.0 -37.83 61.73 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 116.202 -0.454 . . . . 0.0 112.131 179.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . 0.484 ' NH2' ' HB ' ' A' ' 10' ' ' VAL . 17.8 mmm180 -92.22 126.37 37.28 Favored 'General case' 0 N--CA 1.466 0.345 0 O-C-N 123.286 0.366 . . . . 0.0 110.897 179.801 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -168.33 -34.48 0.02 OUTLIER Glycine 0 C--N 1.337 0.596 0 CA-C-N 115.821 -0.627 . . . . 0.0 113.03 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 98.1 mttt 72.01 -43.57 0.57 Allowed 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 124.432 1.093 . . . . 0.0 112.612 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -92.47 -41.34 10.33 Favored 'General case' 0 N--CA 1.469 0.525 0 O-C-N 123.235 0.334 . . . . 0.0 111.31 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 70.86 -51.87 0.68 Allowed 'General case' 0 N--CA 1.487 1.422 0 C-N-CA 124.478 1.111 . . . . 0.0 112.406 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 10.9 p -108.44 135.57 19.98 Favored Pre-proline 0 CA--C 1.553 1.061 0 CA-C-O 119.172 -0.442 . . . . 0.0 110.562 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_exo . . . . . 0 C--N 1.377 2.067 0 C-N-CA 122.474 2.116 . . . . 0.0 112.841 179.603 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.205 0 CA-C-O 119.062 -0.855 . . . . 0.0 112.617 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 7.2 Cg_exo -74.36 -36.32 3.21 Favored 'Trans proline' 0 C--N 1.371 1.759 0 C-N-CA 122.853 2.369 . . . . 0.0 113.035 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 97.8 m95 62.9 125.62 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 123.986 0.915 . . . . 0.0 111.967 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 54.4 tttt -100.75 136.98 39.75 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.701 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -107.38 146.05 32.13 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.819 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -113.99 121.02 42.63 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.193 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 52.1 m -133.83 -42.4 0.83 Allowed 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.237 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 67.8 m-70 -119.88 -22.44 6.78 Favored 'General case' 0 N--CA 1.466 0.374 0 O-C-N 123.48 0.488 . . . . 0.0 111.591 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.3 pp -89.39 36.79 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 CA-C-O 121.083 0.468 . . . . 0.0 111.681 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 4.3 m -87.45 4.92 3.99 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 CA-C-N 115.751 -0.658 . . . . 0.0 112.238 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 13.9 t -101.91 -16.0 16.67 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.777 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -95.93 -30.73 13.47 Favored 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 112.182 0.438 . . . . 0.0 112.182 -179.52 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -83.32 -22.12 33.0 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 112.378 0.51 . . . . 0.0 112.378 -179.734 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.7 m -71.89 -38.83 66.19 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 N-CA-C 112.533 0.568 . . . . 0.0 112.533 -179.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -65.67 -41.47 95.9 Favored Glycine 0 C--N 1.341 0.832 0 O-C-N 123.472 0.483 . . . . 0.0 113.633 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -72.38 -39.43 68.01 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 122.516 0.326 . . . . 0.0 111.323 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.649 ' O ' HG12 ' A' ' 21' ' ' ILE . 96.9 mttt -70.19 -34.84 73.44 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.041 179.436 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.659 ' HG ' HH22 ' A' ' 124' ' ' ARG . 47.4 t -70.95 -36.71 72.69 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.714 178.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.548 ' O ' HG23 ' A' ' 23' ' ' VAL . 41.3 mt-10 -69.83 -31.81 69.88 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.796 178.59 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -71.81 -39.94 69.5 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.314 178.756 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.649 HG12 ' O ' ' A' ' 17' ' ' LYS . 36.4 mm -71.91 -27.58 27.92 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.932 178.62 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -71.73 -44.36 48.54 Favored Glycine 0 C--N 1.346 1.104 0 O-C-N 123.587 0.555 . . . . 0.0 112.554 178.74 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.548 HG23 ' O ' ' A' ' 19' ' ' GLU . 2.9 m -71.22 -33.0 49.24 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 CA-C-O 120.579 0.228 . . . . 0.0 111.332 179.085 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -73.73 -33.69 64.44 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.861 178.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.411 ' HB2' ' O ' ' A' ' 21' ' ' ILE . 4.9 tp -70.03 -39.8 75.54 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.937 179.042 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.7 mt -70.01 -40.27 75.33 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.211 179.188 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 6.4 t-80 -70.08 -32.52 70.63 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.609 178.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.477 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 4.7 tp -74.76 -29.46 61.14 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.636 178.865 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -72.13 -40.37 68.13 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.515 179.087 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -69.7 -38.08 76.82 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.722 178.616 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 -74.19 -25.21 59.56 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.951 178.701 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.477 ' HB2' ' O ' ' A' ' 28' ' ' LEU . 3.5 tt -74.16 -40.11 62.79 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.722 179.172 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.44 ' O ' ' HD1' ' A' ' 37' ' ' TYR . 4.9 tp -71.15 -39.18 72.1 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.416 179.034 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -72.05 -29.98 66.07 Favored Glycine 0 C--N 1.342 0.897 0 CA-C-N 115.674 -0.693 . . . . 0.0 112.978 179.043 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -81.26 -29.33 34.41 Favored 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 112.004 0.372 . . . . 0.0 112.004 179.581 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 37.6 mtt -80.58 -34.66 35.1 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.44 ' HD1' ' O ' ' A' ' 33' ' ' LEU . 25.4 m-85 -81.21 -38.79 26.43 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 111.96 0.356 . . . . 0.0 111.96 179.716 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 54.9 m -86.69 -8.67 57.22 Favored 'General case' 0 N--CA 1.469 0.516 0 O-C-N 123.398 0.436 . . . . 0.0 112.049 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 29.8 p80 46.37 102.63 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.596 0 C-N-CA 124.678 1.191 . . . . 0.0 113.247 -179.68 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -135.88 160.36 38.84 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.827 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -98.94 -39.92 8.33 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.592 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.84 -33.77 76.34 Favored 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 112.84 0.682 . . . . 0.0 112.84 -179.745 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.558 ' O ' ' HB2' ' A' ' 47' ' ' LEU . 4.8 mt -72.41 -28.5 63.02 Favored 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 -179.72 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -74.95 -36.71 62.1 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 122.401 0.28 . . . . 0.0 111.398 179.32 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 19.6 mm-40 -72.07 -40.92 67.93 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.593 179.228 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 16.1 t -69.15 -35.04 75.92 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.917 178.621 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.558 ' HB2' ' O ' ' A' ' 43' ' ' LEU . 0.2 OUTLIER -70.64 -34.38 72.0 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.389 179.135 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 53.2 mt-30 -71.77 -39.9 69.65 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.28 179.305 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -71.42 -37.8 62.53 Favored Glycine 0 C--N 1.343 0.954 0 CA-C-N 116.129 -0.487 . . . . 0.0 112.642 179.137 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.585 ' O ' HG22 ' A' ' 54' ' ' VAL . 42.3 mt-10 -71.32 -35.9 71.39 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 122.828 0.451 . . . . 0.0 111.071 179.214 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.6 tp -71.38 -35.06 70.95 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.929 179.185 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 11.7 mm100 -72.97 -32.56 65.28 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.196 178.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 18.5 p -73.98 -36.26 64.53 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.602 178.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.585 HG22 ' O ' ' A' ' 50' ' ' GLU . 78.3 t -73.5 -34.25 41.91 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.29 178.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -72.07 -36.66 69.63 Favored 'General case' 0 N--CA 1.471 0.625 0 O-C-N 123.389 0.43 . . . . 0.0 111.092 178.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -72.82 -32.76 65.74 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.141 178.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 16.5 p -73.71 -35.52 65.14 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.171 178.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 21.3 mt -71.2 -38.42 72.08 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.894 178.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.439 ' O ' HG13 ' A' ' 62' ' ' ILE . 47.2 mt-30 -69.49 -37.62 77.31 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.69 178.572 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.437 ' O ' ' HB2' ' A' ' 64' ' ' GLN . . . -69.89 -30.66 68.15 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.049 178.834 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.424 ' O ' HD11 ' A' ' 65' ' ' LEU . 82.8 mtp -71.64 -43.69 65.68 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.324 178.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.439 HG13 ' O ' ' A' ' 59' ' ' GLN . 1.4 pt -75.22 -22.88 16.87 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.687 179.427 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.403 ' HA ' ' NZ ' ' A' ' 69' ' ' LYS . 2.8 tt -86.72 -25.39 24.76 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.18 179.157 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.437 ' HB2' ' O ' ' A' ' 60' ' ' ALA . 3.8 tp60 -89.4 -26.92 20.76 Favored 'General case' 0 CA--C 1.539 0.521 0 O-C-N 123.362 0.413 . . . . 0.0 111.47 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.546 ' O ' ' HD3' ' A' ' 67' ' ' PRO . 6.7 mt -79.28 -32.63 43.66 Favored 'General case' 0 N--CA 1.471 0.612 0 N-CA-C 111.905 0.335 . . . . 0.0 111.905 179.808 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -97.47 98.41 5.0 Favored Pre-proline 0 CA--C 1.544 0.746 0 O-C-N 123.407 0.442 . . . . 0.0 110.676 179.704 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.546 ' HD3' ' O ' ' A' ' 65' ' ' LEU . 8.0 Cg_exo -73.52 151.37 47.32 Favored 'Trans proline' 0 C--N 1.374 1.901 0 C-N-CA 122.593 2.196 . . . . 0.0 112.888 179.691 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 40.6 p 52.03 107.72 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.302 0 C-N-CA 124.348 1.059 . . . . 0.0 112.947 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.403 ' NZ ' ' HA ' ' A' ' 63' ' ' LEU . 96.7 mttt -127.0 131.01 51.12 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.728 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -99.88 128.89 45.93 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.837 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -127.32 131.13 50.49 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.074 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 144.33 91.0 0.12 Allowed Glycine 0 C--N 1.337 0.619 0 O-C-N 123.635 0.584 . . . . 0.0 112.548 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -100.41 144.96 28.8 Favored 'General case' 0 C--O 1.235 0.294 0 C-N-CA 122.296 0.238 . . . . 0.0 110.867 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -99.64 143.83 29.42 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.225 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 52.4 m -98.95 144.18 28.41 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.85 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -116.24 -43.68 2.94 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.492 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 52.4 m 63.87 139.84 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 123.96 0.904 . . . . 0.0 112.246 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.422 ' CD2' ' HA3' ' A' ' 82' ' ' GLY . 89.7 m-85 -98.52 158.08 33.19 Favored Pre-proline 0 CA--C 1.54 0.589 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.961 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -75.89 -42.78 0.38 Allowed 'Trans proline' 0 C--N 1.376 2.017 0 C-N-CA 122.556 2.171 . . . . 0.0 113.019 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 17.5 p -142.44 -47.94 0.34 Allowed 'General case' 0 N--CA 1.467 0.392 0 O-C-N 123.314 0.384 . . . . 0.0 111.366 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -118.96 147.58 43.9 Favored 'General case' 0 C--O 1.235 0.334 0 O-C-N 123.383 0.427 . . . . 0.0 111.201 -179.759 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.422 ' HA3' ' CD2' ' A' ' 78' ' ' TYR . . . -167.14 -118.47 0.44 Allowed Glycine 0 C--N 1.337 0.623 0 CA-C-N 115.741 -0.663 . . . . 0.0 112.415 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -126.5 -42.42 1.81 Allowed 'General case' 0 C--O 1.236 0.381 0 O-C-N 123.637 0.257 . . . . 0.0 111.43 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 54.8 mt-30 -105.61 139.53 40.07 Favored 'General case' 0 N--CA 1.465 0.301 0 O-C-N 123.35 0.406 . . . . 0.0 110.796 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -129.48 146.61 51.3 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.828 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 18.7 p -125.05 145.61 49.83 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.138 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -103.44 146.56 28.32 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.923 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -108.25 -43.13 4.43 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.543 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 11.0 mt -103.66 139.81 38.43 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.836 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 3.9 m -138.79 157.51 71.69 Favored Pre-proline 0 CA--C 1.544 0.713 0 O-C-N 123.584 0.553 . . . . 0.0 111.41 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_exo -79.04 152.16 24.3 Favored 'Trans proline' 0 C--N 1.376 2.024 0 C-N-CA 122.649 2.233 . . . . 0.0 112.861 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 86.3 mtt180 -133.44 131.92 40.5 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.828 179.65 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -147.71 -141.69 3.56 Favored Glycine 0 C--N 1.336 0.556 0 CA-C-N 115.979 -0.555 . . . . 0.0 112.645 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 53.1 m -100.02 147.46 25.59 Favored 'General case' 0 C--O 1.235 0.319 0 O-C-N 123.594 0.232 . . . . 0.0 111.039 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -121.63 61.84 0.53 Allowed Glycine 0 C--N 1.336 0.556 0 CA-C-N 115.888 -0.596 . . . . 0.0 112.546 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 87.7 m-85 -128.19 144.51 51.13 Favored 'General case' 0 C--O 1.235 0.299 0 C-N-CA 122.249 0.22 . . . . 0.0 110.824 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . 0.556 ' HA3' ' OE2' ' A' ' 100' ' ' GLU . . . 156.44 154.01 6.84 Favored Glycine 0 C--N 1.338 0.661 0 CA-C-N 115.874 -0.603 . . . . 0.0 112.592 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 59.2 mttp -101.69 154.59 18.75 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 120.675 0.274 . . . . 0.0 111.018 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 2.5 t30 64.92 13.19 8.41 Favored 'General case' 0 N--CA 1.488 1.441 0 C-N-CA 124.001 0.92 . . . . 0.0 112.429 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.556 ' OE2' ' HA3' ' A' ' 97' ' ' GLY . 41.1 mt-10 -96.81 -26.9 14.95 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.452 179.727 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -76.77 -29.74 56.2 Favored 'General case' 0 N--CA 1.47 0.547 0 O-C-N 123.425 0.453 . . . . 0.0 111.973 179.66 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 11.1 mt -79.69 -26.64 40.86 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 116.001 -0.545 . . . . 0.0 112.018 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -70.86 -39.19 73.04 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 122.669 0.388 . . . . 0.0 111.979 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -64.68 -40.36 95.26 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 122.79 0.436 . . . . 0.0 111.728 179.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -77.23 -30.65 54.65 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.548 179.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -71.77 -39.22 70.1 Favored 'General case' 0 N--CA 1.47 0.562 0 O-C-N 123.474 0.484 . . . . 0.0 111.66 179.203 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -75.78 -37.63 59.03 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 115.855 -0.612 . . . . 0.0 111.606 179.468 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 68.0 m -70.54 -37.46 74.07 Favored 'General case' 0 N--CA 1.47 0.572 0 O-C-N 123.221 0.326 . . . . 0.0 111.288 179.313 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 4.7 tp -73.25 -36.78 66.45 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.878 179.313 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . 0.4 ' O ' ' HB2' ' A' ' 114' ' ' GLN . . . -71.3 -30.94 66.85 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.261 179.075 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 55.5 mttp -77.22 -32.22 55.75 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.794 178.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -73.45 -35.13 65.71 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.425 178.777 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 24.7 mt -77.95 -32.93 17.91 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 N-CA-C 109.776 -0.454 . . . . 0.0 109.776 178.535 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . 0.4 ' HB2' ' O ' ' A' ' 110' ' ' ALA . 14.7 tt0 -67.85 -37.87 82.41 Favored 'General case' 0 N--CA 1.469 0.512 0 O-C-N 123.453 0.471 . . . . 0.0 110.191 178.383 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 12.1 t80 -73.6 -35.83 65.42 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.936 178.488 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.601 ' O ' HG12 ' A' ' 120' ' ' ILE . 10.1 tp -67.24 -36.88 82.57 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.7 178.74 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 62.4 mttm -69.19 -43.35 74.34 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.714 178.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -68.68 -25.01 64.58 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.639 178.054 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.572 ' O ' HG23 ' A' ' 123' ' ' VAL . 2.3 tt -71.5 -42.79 67.57 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.563 179.011 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . 0.601 HG12 ' O ' ' A' ' 116' ' ' LEU . 26.2 mm -69.21 -34.41 63.01 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.182 178.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -72.49 -30.99 65.01 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.5 179.113 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -74.57 -37.47 62.94 Favored 'General case' 0 N--CA 1.471 0.611 0 O-C-N 123.346 0.404 . . . . 0.0 111.603 179.435 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . 0.572 HG23 ' O ' ' A' ' 119' ' ' LEU . 2.5 m -74.6 -33.13 31.22 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 O-C-N 123.261 0.351 . . . . 0.0 111.063 178.609 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . 0.659 HH22 ' HG ' ' A' ' 18' ' ' CYS . 97.7 mtt180 -70.8 -38.31 73.34 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.321 178.534 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -74.1 -38.01 63.99 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.898 179.769 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -75.43 -41.64 55.4 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 116.157 -0.474 . . . . 0.0 112.2 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . 0.464 ' CZ ' HD13 ' A' ' 65' ' ' LEU . 76.2 mtt180 -103.58 129.74 50.88 Favored 'General case' 0 C--O 1.235 0.314 0 O-C-N 123.387 0.429 . . . . 0.0 111.053 -179.861 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 136.52 89.47 0.26 Allowed Glycine 0 C--N 1.338 0.662 0 CA-C-N 115.873 -0.603 . . . . 0.0 112.486 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -100.59 144.63 29.34 Favored 'General case' 0 C--O 1.235 0.339 0 C-N-CA 122.274 0.229 . . . . 0.0 110.95 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -103.64 145.78 29.55 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.881 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 71.9 mtp180 -116.03 138.37 51.28 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.813 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 3.1 m -137.12 98.8 10.19 Favored Pre-proline 0 CA--C 1.547 0.841 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.312 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_exo . . . . . 0 C--N 1.374 1.911 0 C-N-CA 122.683 2.256 . . . . 0.0 112.712 179.459 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.15 0 CA-C-O 119.213 -0.77 . . . . 0.0 112.542 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo -75.82 137.3 19.79 Favored 'Trans proline' 0 C--N 1.37 1.702 0 C-N-CA 122.989 2.46 . . . . 0.0 112.794 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 96.1 m95 63.09 126.32 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 123.858 0.863 . . . . 0.0 112.049 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 52.1 tttt -115.05 139.4 49.9 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.571 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -129.95 -36.73 1.55 Allowed 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.305 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 61.23 110.28 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 123.98 0.912 . . . . 0.0 111.883 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 16.4 t -138.19 -44.12 0.51 Allowed 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.068 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 62.2 m80 -122.69 -16.17 7.27 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.732 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.1 pp -90.12 87.87 2.78 Favored 'Isoleucine or valine' 0 C--O 1.238 0.464 0 CA-C-O 121.258 0.551 . . . . 0.0 111.244 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.413 ' O ' HG22 ' A' ' 14' ' ' VAL . 3.2 m -146.44 -34.88 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.665 0 CA-C-N 115.229 -0.896 . . . . 0.0 111.382 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 14.2 t -83.88 -15.88 46.46 Favored 'General case' 0 N--CA 1.469 0.489 0 O-C-N 123.542 0.526 . . . . 0.0 111.77 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -97.2 -17.44 19.87 Favored 'General case' 0 CA--C 1.533 0.311 0 O-C-N 123.318 0.386 . . . . 0.0 111.927 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -90.57 -25.7 20.07 Favored 'General case' 0 N--CA 1.47 0.555 0 O-C-N 123.232 0.332 . . . . 0.0 111.779 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.413 HG22 ' O ' ' A' ' 10' ' ' VAL . 2.5 m -77.26 -38.41 27.05 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 N-CA-C 112.216 0.45 . . . . 0.0 112.216 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -62.73 -34.92 91.07 Favored Glycine 0 C--N 1.342 0.907 0 O-C-N 123.556 0.535 . . . . 0.0 113.704 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -75.89 -33.88 59.95 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 122.534 0.334 . . . . 0.0 111.211 179.419 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -74.81 -33.96 62.29 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.789 178.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.485 ' O ' HG21 ' A' ' 21' ' ' ILE . 49.2 t -72.53 -39.14 67.77 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.793 178.905 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.555 ' O ' HG21 ' A' ' 23' ' ' VAL . 42.0 mt-10 -70.22 -36.6 74.65 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.718 179.105 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -71.98 -39.18 69.48 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.593 179.656 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.485 HG21 ' O ' ' A' ' 18' ' ' CYS . 4.0 tp -72.91 -27.5 24.99 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.802 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.293 178.757 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -70.01 -44.91 59.42 Favored Glycine 0 C--N 1.349 1.265 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.918 178.198 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.555 HG21 ' O ' ' A' ' 19' ' ' GLU . 2.6 m -71.26 -29.19 34.98 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 CA-C-O 120.691 0.282 . . . . 0.0 110.778 178.422 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.4 ' O ' ' HB2' ' A' ' 28' ' ' LEU . 40.4 tttt -74.37 -34.42 63.36 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.5 178.387 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 6.5 tp -70.08 -39.22 75.71 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.115 179.228 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.6 mt -71.76 -38.73 70.34 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.287 179.142 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 3.9 t60 -71.72 -33.9 69.13 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.736 179.15 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.506 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 2.7 tt -75.08 -30.22 60.87 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.71 179.028 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -71.01 -42.06 70.09 Favored 'General case' 0 N--CA 1.47 0.541 0 O-C-N 123.473 0.483 . . . . 0.0 110.59 179.251 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -68.94 -38.68 79.62 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.272 178.611 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 12.4 tt0 -74.4 -21.74 59.5 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.76 178.641 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.506 ' HB2' ' O ' ' A' ' 28' ' ' LEU . 3.9 tt -75.18 -42.83 55.0 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 122.944 0.498 . . . . 0.0 110.586 179.27 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 11.5 mt -71.84 -36.19 70.09 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.613 178.692 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -72.0 -31.76 64.04 Favored Glycine 0 C--N 1.345 1.057 0 CA-C-N 115.536 -0.757 . . . . 0.0 112.67 178.764 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -81.1 -27.67 35.51 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 122.521 0.328 . . . . 0.0 111.519 179.176 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 80.8 mtp -80.26 -30.33 38.43 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.712 179.558 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 10.6 t80 -78.68 -39.27 37.18 Favored 'General case' 0 N--CA 1.469 0.5 0 O-C-N 123.397 0.436 . . . . 0.0 111.463 179.656 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 74.8 p -86.73 -11.31 51.51 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 116.131 -0.486 . . . . 0.0 112.084 179.749 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 30.7 p80 46.94 102.84 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.478 0 C-N-CA 124.755 1.222 . . . . 0.0 113.116 -179.585 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -134.27 159.69 40.2 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.987 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -97.01 -37.62 10.1 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.493 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.79 -38.27 86.2 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.012 0.525 . . . . 0.0 112.413 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.456 ' O ' ' HB2' ' A' ' 47' ' ' LEU . 8.2 mt -70.68 -28.33 64.7 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 115.993 -0.549 . . . . 0.0 112.099 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.406 ' O ' ' HG3' ' A' ' 48' ' ' GLN . 10.4 t80 -72.62 -37.78 67.96 Favored 'General case' 0 N--CA 1.472 0.634 0 O-C-N 123.306 0.378 . . . . 0.0 111.085 179.507 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 54.8 mt-30 -71.51 -40.95 69.81 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.7 179.22 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 55.6 m -68.95 -34.62 75.65 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.89 178.596 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.456 ' HB2' ' O ' ' A' ' 43' ' ' LEU . 1.8 tt -70.74 -33.96 71.37 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.176 179.121 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.406 ' HG3' ' O ' ' A' ' 44' ' ' PHE . 54.0 mt-30 -71.3 -39.46 71.46 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.26 179.135 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -70.51 -35.98 68.44 Favored Glycine 0 C--N 1.345 1.03 0 CA-C-N 115.916 -0.584 . . . . 0.0 112.428 178.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.549 ' O ' HG21 ' A' ' 54' ' ' VAL . 43.8 mt-10 -72.09 -35.73 69.29 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 122.867 0.467 . . . . 0.0 110.929 179.039 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.2 tt -69.39 -36.33 76.67 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.668 179.017 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -71.32 -35.27 71.17 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.109 178.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 18.3 p -72.38 -32.01 66.06 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.469 178.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.549 HG21 ' O ' ' A' ' 50' ' ' GLU . 74.7 t -74.43 -34.48 36.28 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.209 178.676 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 81.0 mttt -71.42 -36.41 71.31 Favored 'General case' 0 N--CA 1.472 0.626 0 O-C-N 123.407 0.442 . . . . 0.0 111.103 178.574 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -72.66 -35.31 67.7 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.181 179.009 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 18.8 p -73.42 -31.98 64.15 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.078 178.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.6 mt -71.98 -39.97 68.93 Favored 'General case' 0 C--N 1.345 0.392 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.035 178.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -69.55 -37.89 77.24 Favored 'General case' 0 N--CA 1.472 0.627 0 O-C-N 123.556 0.535 . . . . 0.0 110.936 178.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.472 ' O ' ' HB2' ' A' ' 64' ' ' GLN . . . -70.11 -32.02 69.85 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.238 178.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.551 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 9.9 ttt -71.16 -43.45 67.49 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.229 179.481 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 2.2 pp -75.54 -24.65 17.25 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.846 0 O-C-N 123.346 0.404 . . . . 0.0 111.726 179.514 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.7 tp -84.48 -24.3 29.51 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.057 179.174 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.472 ' HB2' ' O ' ' A' ' 60' ' ' ALA . 5.1 tt0 -85.07 -36.07 21.44 Favored 'General case' 0 N--CA 1.468 0.459 0 O-C-N 123.405 0.441 . . . . 0.0 111.301 179.488 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.551 ' HG ' ' O ' ' A' ' 61' ' ' MET . 0.8 OUTLIER -131.59 81.7 1.99 Allowed 'General case' 0 CA--C 1.536 0.44 0 CA-C-O 121.461 0.648 . . . . 0.0 110.723 179.803 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -115.22 137.83 23.23 Favored Pre-proline 0 CA--C 1.541 0.605 0 CA-C-N 115.102 -0.954 . . . . 0.0 110.485 179.751 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_exo -61.61 150.52 85.14 Favored 'Trans proline' 0 C--N 1.376 2.006 0 C-N-CA 122.47 2.113 . . . . 0.0 113.087 179.582 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 19.2 p -100.42 -43.03 6.37 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.497 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 98.0 mttt 64.46 132.91 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 123.906 0.883 . . . . 0.0 112.064 -179.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -96.92 -39.59 9.31 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.438 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -96.02 138.15 34.07 Favored 'General case' 0 N--CA 1.464 0.262 0 O-C-N 123.406 0.441 . . . . 0.0 111.308 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -137.78 154.46 22.66 Favored Glycine 0 C--N 1.337 0.616 0 CA-C-N 115.805 -0.634 . . . . 0.0 112.609 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -121.94 -39.2 2.63 Favored 'General case' 0 N--CA 1.466 0.367 0 O-C-N 123.624 0.249 . . . . 0.0 111.324 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -95.04 151.8 18.88 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.361 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 44.9 p -94.83 -40.04 9.94 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.485 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -97.26 130.61 44.44 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.208 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 16.1 t -126.17 -41.75 1.9 Allowed 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.124 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 91.2 m-85 -97.51 108.95 48.09 Favored Pre-proline 0 CA--C 1.541 0.611 0 O-C-N 123.411 0.445 . . . . 0.0 110.874 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 21.6 Cg_exo -66.74 145.1 74.23 Favored 'Trans proline' 0 C--N 1.375 1.963 0 C-N-CA 122.655 2.237 . . . . 0.0 112.973 179.429 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 18.8 p -103.0 125.84 49.93 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.097 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -125.57 146.56 49.63 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.124 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -100.31 148.51 18.41 Favored Glycine 0 C--N 1.336 0.544 0 O-C-N 123.629 0.581 . . . . 0.0 112.536 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -126.11 132.11 51.95 Favored 'General case' 0 C--O 1.234 0.265 0 C-N-CA 122.314 0.245 . . . . 0.0 111.128 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -128.72 -42.11 1.45 Allowed 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.211 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -99.97 142.24 31.7 Favored 'General case' 0 C--O 1.235 0.337 0 O-C-N 123.361 0.413 . . . . 0.0 110.918 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 19.7 p -100.42 -46.36 5.26 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 115.976 -0.557 . . . . 0.0 111.4 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -109.96 133.27 53.36 Favored 'General case' 0 C--O 1.235 0.315 0 O-C-N 123.466 0.478 . . . . 0.0 110.906 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -125.69 -44.22 1.83 Allowed 'General case' 0 C--O 1.235 0.336 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.369 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 5.8 mp -105.4 146.0 30.04 Favored 'General case' 0 C--O 1.235 0.319 0 O-C-N 123.37 0.419 . . . . 0.0 110.906 179.725 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 4.2 m -129.32 158.86 71.82 Favored Pre-proline 0 CA--C 1.545 0.769 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.242 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 4.0 Cg_exo -75.9 131.47 13.31 Favored 'Trans proline' 0 C--N 1.376 2.007 0 C-N-CA 122.529 2.153 . . . . 0.0 112.713 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 62.32 125.93 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 123.91 0.884 . . . . 0.0 112.17 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 115.61 52.15 0.4 Allowed Glycine 0 C--N 1.336 0.575 0 CA-C-N 115.741 -0.663 . . . . 0.0 112.617 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 52.5 m -130.37 -42.21 1.2 Allowed 'General case' 0 N--CA 1.465 0.281 0 C-N-CA 122.39 0.276 . . . . 0.0 111.287 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 154.01 -67.94 0.31 Allowed Glycine 0 C--N 1.341 0.854 0 O-C-N 123.453 0.471 . . . . 0.0 112.558 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 63.09 126.17 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 123.97 0.908 . . . . 0.0 112.067 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -132.5 -153.44 7.3 Favored Glycine 0 C--N 1.337 0.607 0 CA-C-N 115.806 -0.634 . . . . 0.0 112.521 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.408 ' O ' HD11 ' A' ' 102' ' ' LEU . 97.2 mttt -129.3 -38.26 1.59 Allowed 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 122.372 0.269 . . . . 0.0 111.348 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 41.9 m-80 -92.18 -28.79 16.83 Favored 'General case' 0 N--CA 1.468 0.466 0 O-C-N 123.5 0.5 . . . . 0.0 111.643 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -90.28 -19.81 23.67 Favored 'General case' 0 N--CA 1.469 0.509 0 O-C-N 123.366 0.416 . . . . 0.0 111.755 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -76.97 -31.0 56.25 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 112.128 0.418 . . . . 0.0 112.128 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.408 HD11 ' O ' ' A' ' 98' ' ' LYS . 13.4 mt -86.32 -29.86 22.69 Favored 'General case' 0 N--CA 1.47 0.565 0 O-C-N 123.397 0.435 . . . . 0.0 111.734 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -72.98 -43.44 62.22 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 122.546 0.338 . . . . 0.0 111.541 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -64.83 -37.82 88.92 Favored 'General case' 0 N--CA 1.474 0.772 0 O-C-N 123.465 0.478 . . . . 0.0 111.526 179.246 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -74.29 -34.25 63.48 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.569 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -69.71 -37.89 76.72 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.647 179.372 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -75.72 -34.49 60.35 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.346 179.442 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' SER . . . . . 0.403 ' O ' ' HG3' ' A' ' 112' ' ' GLU . 70.6 m -70.63 -40.09 73.33 Favored 'General case' 0 N--CA 1.471 0.58 0 O-C-N 123.32 0.388 . . . . 0.0 111.187 179.07 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 23.8 mt -71.36 -37.49 71.64 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.135 179.278 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -69.59 -33.16 72.31 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.183 179.024 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.434 ' O ' ' HB2' ' A' ' 115' ' ' TYR . 92.8 mttt -75.61 -29.86 59.38 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.881 178.829 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.403 ' HG3' ' O ' ' A' ' 108' ' ' SER . 41.3 mt-10 -73.49 -37.41 65.73 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.48 178.738 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 13.9 mt -74.66 -36.61 41.12 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.222 179.178 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 53.8 mt-30 -71.87 -32.97 68.0 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.933 178.765 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . 0.434 ' HB2' ' O ' ' A' ' 111' ' ' LYS . 9.0 t80 -72.78 -37.35 67.64 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.563 179.171 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.663 ' O ' HG12 ' A' ' 120' ' ' ILE . 16.1 mt -67.74 -38.79 83.98 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.751 178.548 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -66.44 -41.42 89.15 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.145 179.122 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . 0.419 ' O ' ' HB2' ' A' ' 122' ' ' GLU . 20.0 m-20 -68.97 -29.32 67.51 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.519 178.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 18.1 mt -74.36 -35.39 63.54 Favored 'General case' 0 N--CA 1.47 0.561 0 O-C-N 123.429 0.455 . . . . 0.0 111.775 179.126 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . 0.663 HG12 ' O ' ' A' ' 116' ' ' LEU . 32.3 mm -74.05 -37.5 47.14 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 O-C-N 123.211 0.319 . . . . 0.0 110.533 179.229 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -73.06 -33.54 65.71 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.517 179.117 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . 0.419 ' HB2' ' O ' ' A' ' 118' ' ' ASP . 3.0 tp10 -76.19 -33.65 59.31 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.421 179.81 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . 0.456 HG11 ' O ' ' A' ' 120' ' ' ILE . 9.9 p -77.79 -33.42 18.76 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.754 0 O-C-N 123.409 0.443 . . . . 0.0 110.437 178.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 35.8 ttt180 -71.17 -37.91 72.18 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.987 178.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -74.09 -41.46 61.65 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.853 179.616 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -75.72 -59.31 2.81 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 116.228 -0.442 . . . . 0.0 112.022 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 67.13 -58.33 0.41 Allowed 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 124.391 1.077 . . . . 0.0 112.693 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 130.03 95.69 0.75 Allowed Glycine 0 C--N 1.341 0.846 0 C-N-CA 121.563 -0.351 . . . . 0.0 112.363 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.481 ' HB3' ' O ' ' A' ' 132' ' ' VAL . 97.2 mttt -98.03 136.93 37.58 Favored 'General case' 0 C--O 1.235 0.326 0 C-N-CA 122.386 0.274 . . . . 0.0 111.077 -179.858 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -130.47 -41.11 1.23 Allowed 'General case' 0 N--CA 1.466 0.335 0 O-C-N 123.662 0.601 . . . . 0.0 111.293 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 76.8 mtp180 -96.94 -41.94 8.16 Favored 'General case' 0 N--CA 1.469 0.478 0 O-C-N 123.49 0.494 . . . . 0.0 111.333 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . 0.481 ' O ' ' HB3' ' A' ' 129' ' ' LYS . 10.8 p -97.65 135.45 21.63 Favored Pre-proline 0 CA--C 1.553 1.088 0 O-C-N 123.46 0.475 . . . . 0.0 110.554 -179.85 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 13.4 Cg_exo . . . . . 0 C--N 1.376 1.976 0 C-N-CA 122.586 2.19 . . . . 0.0 112.845 179.614 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.159 0 CA-C-O 119.327 -0.707 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 4.2 Cg_exo -75.83 -35.38 2.61 Favored 'Trans proline' 0 C--N 1.37 1.659 0 C-N-CA 123.085 2.523 . . . . 0.0 113.105 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . 0.402 ' HD1' ' O ' ' A' ' 5' ' ' GLU . 10.8 t-105 -123.62 151.19 43.28 Favored 'General case' 0 C--O 1.234 0.282 0 O-C-N 123.361 0.413 . . . . 0.0 110.747 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -96.16 -31.77 12.82 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.595 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.402 ' O ' ' HD1' ' A' ' 3' ' ' TRP . 43.2 mt-10 -90.22 149.71 22.28 Favored 'General case' 0 N--CA 1.469 0.475 0 O-C-N 123.391 0.432 . . . . 0.0 111.152 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -98.82 109.98 22.66 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.169 -179.753 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 36.3 p -143.0 146.31 33.74 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.892 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 66.8 m80 55.35 30.07 14.18 Favored 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 123.812 0.845 . . . . 0.0 112.626 179.748 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.432 ' H ' HG13 ' A' ' 9' ' ' ILE . 2.3 pp -93.15 13.74 2.31 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.648 0 CA-C-N 115.995 -0.548 . . . . 0.0 112.057 -179.823 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 4.0 m -89.81 -30.67 5.12 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 53.4 m -92.36 -14.38 28.78 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.927 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -95.41 -24.59 16.63 Favored 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 -179.635 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -86.57 -22.08 26.48 Favored 'General case' 0 N--CA 1.471 0.581 0 N-CA-C 112.172 0.434 . . . . 0.0 112.172 -179.697 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.7 m -71.18 -39.82 73.9 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 N-CA-C 112.619 0.6 . . . . 0.0 112.619 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -64.68 -42.39 97.27 Favored Glycine 0 C--N 1.343 0.918 0 CA-C-N 116.192 -0.458 . . . . 0.0 113.645 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -73.11 -38.04 66.48 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 122.535 0.334 . . . . 0.0 111.471 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.637 ' O ' HG12 ' A' ' 21' ' ' ILE . 95.9 mttt -70.85 -35.47 72.42 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.223 179.352 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 66.0 m -71.28 -36.47 71.7 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.685 178.695 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.55 ' O ' HG21 ' A' ' 23' ' ' VAL . 41.1 mt-10 -69.89 -31.57 69.44 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.789 178.376 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.13 -39.74 68.58 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.397 178.775 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.637 HG12 ' O ' ' A' ' 17' ' ' LYS . 39.9 mm -72.29 -27.63 26.97 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.775 0 CA-C-N 116.166 -0.47 . . . . 0.0 109.898 178.619 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -71.59 -44.09 50.59 Favored Glycine 0 C--N 1.348 1.197 0 CA-C-N 115.967 -0.56 . . . . 0.0 112.305 178.788 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.55 HG21 ' O ' ' A' ' 19' ' ' GLU . 3.0 m -71.32 -33.18 49.45 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 CA-C-O 120.562 0.22 . . . . 0.0 111.276 179.043 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.427 ' O ' ' HB2' ' A' ' 28' ' ' LEU . 96.7 mttt -73.25 -33.75 65.47 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.928 178.789 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.429 ' O ' ' HG3' ' A' ' 29' ' ' GLU . 4.7 tp -70.13 -40.35 74.88 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.169 179.124 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.4 mt -69.31 -43.42 73.81 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.284 179.539 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.633 ' O ' ' HG2' ' A' ' 31' ' ' GLN . 17.3 m-70 -67.97 -31.95 72.03 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.057 178.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.466 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 4.8 tp -71.9 -34.49 69.17 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.559 178.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.429 ' HG3' ' O ' ' A' ' 25' ' ' LEU . 42.8 mt-10 -69.99 -36.17 74.95 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.901 178.794 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -68.05 -44.85 75.45 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.224 178.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.633 ' HG2' ' O ' ' A' ' 27' ' ' HIS . 8.5 pt20 -74.39 -21.56 59.59 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.462 179.063 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.466 ' HB2' ' O ' ' A' ' 28' ' ' LEU . 4.0 tt -72.68 -44.89 61.21 Favored 'General case' 0 N--CA 1.471 0.584 0 O-C-N 123.427 0.454 . . . . 0.0 110.68 179.079 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.3 mp -71.19 -35.72 71.67 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.597 178.678 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -72.08 -30.63 65.09 Favored Glycine 0 C--N 1.345 1.028 0 CA-C-N 115.73 -0.668 . . . . 0.0 112.889 178.592 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -81.25 -29.01 34.52 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 111.903 0.334 . . . . 0.0 111.903 179.539 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 47.0 mtt -80.8 -34.42 34.05 Favored 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 111.929 0.344 . . . . 0.0 111.929 179.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 8.9 t80 -81.21 -43.43 19.28 Favored 'General case' 0 N--CA 1.469 0.482 0 O-C-N 123.303 0.377 . . . . 0.0 111.646 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 53.2 m -86.78 -18.13 31.82 Favored 'General case' 0 N--CA 1.469 0.516 0 O-C-N 123.584 0.552 . . . . 0.0 112.307 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 72.1 m-70 62.29 108.98 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 123.762 0.825 . . . . 0.0 111.631 -179.623 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -139.99 157.11 46.19 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.048 -179.653 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -103.79 -40.19 6.35 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.446 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.86 -37.02 83.64 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 112.523 0.564 . . . . 0.0 112.523 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.451 ' O ' ' HB2' ' A' ' 47' ' ' LEU . 11.7 mt -70.9 -28.42 64.52 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 115.997 -0.547 . . . . 0.0 112.038 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -73.76 -37.36 65.05 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 122.646 0.378 . . . . 0.0 111.183 179.424 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 13.9 tt0 -71.13 -41.47 70.45 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.59 179.281 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 42.2 p -69.1 -34.47 75.15 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.105 178.706 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.451 ' HB2' ' O ' ' A' ' 43' ' ' LEU . 2.2 tt -70.77 -34.47 71.84 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.316 179.24 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 54.0 mt-30 -72.51 -39.88 67.27 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 116.059 -0.518 . . . . 0.0 111.648 179.516 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -71.61 -36.89 62.11 Favored Glycine 0 C--N 1.343 0.946 0 CA-C-N 116.096 -0.502 . . . . 0.0 112.789 179.296 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -73.45 -35.38 65.75 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 122.88 0.472 . . . . 0.0 111.342 179.403 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.549 ' O ' HG13 ' A' ' 54' ' ' VAL . 2.6 tt -72.23 -36.39 69.1 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.267 179.535 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -73.81 -35.21 64.85 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.115 179.191 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 18.1 p -73.44 -33.76 65.08 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.532 178.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.549 HG13 ' O ' ' A' ' 51' ' ' LEU . 6.9 p -74.96 -34.24 31.99 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.747 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.613 179.366 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 75.8 mttt -72.53 -35.63 68.12 Favored 'General case' 0 N--CA 1.47 0.542 0 O-C-N 123.466 0.479 . . . . 0.0 111.052 178.759 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -72.67 -34.82 67.48 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.082 178.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 16.3 p -72.64 -36.0 67.9 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.399 179.007 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 24.5 mt -71.95 -36.49 69.89 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.957 179.056 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.44 ' O ' ' HB2' ' A' ' 63' ' ' LEU . 46.5 mt-30 -69.47 -37.92 77.48 Favored 'General case' 0 N--CA 1.472 0.642 0 O-C-N 123.515 0.51 . . . . 0.0 110.826 178.558 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.511 ' O ' ' HG2' ' A' ' 64' ' ' GLN . . . -69.42 -33.47 73.03 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.926 178.847 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 24.8 mmm -67.93 -45.19 75.0 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.525 179.035 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.479 ' O ' ' HB2' ' A' ' 66' ' ' GLN . 2.1 pp -75.75 -21.05 15.79 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.767 179.423 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.44 ' HB2' ' O ' ' A' ' 59' ' ' GLN . 2.5 tt -79.29 -34.11 42.73 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.374 179.398 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.511 ' HG2' ' O ' ' A' ' 60' ' ' ALA . 11.3 pt20 -85.29 -32.19 22.66 Favored 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 111.994 0.368 . . . . 0.0 111.994 179.77 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.455 HD21 ' NH1' ' A' ' 127' ' ' ARG . 16.2 mt -81.74 -39.79 23.66 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 112.002 0.371 . . . . 0.0 112.002 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.479 ' HB2' ' O ' ' A' ' 62' ' ' ILE . 54.9 mt-30 -102.56 155.26 36.75 Favored Pre-proline 0 CA--C 1.54 0.572 0 O-C-N 123.441 0.463 . . . . 0.0 110.899 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo -77.35 129.56 10.39 Favored 'Trans proline' 0 C--N 1.375 1.931 0 C-N-CA 122.614 2.209 . . . . 0.0 112.766 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 18.2 p -141.34 -53.26 0.46 Allowed 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.148 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 60.2 mttp 60.04 121.09 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 124.035 0.934 . . . . 0.0 112.238 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -122.44 134.28 54.6 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.873 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -99.68 -42.78 6.72 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.455 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -153.93 -149.58 5.25 Favored Glycine 0 C--N 1.34 0.766 0 O-C-N 123.44 0.462 . . . . 0.0 112.551 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -115.04 143.76 44.69 Favored 'General case' 0 C--O 1.235 0.308 0 C-N-CA 122.285 0.234 . . . . 0.0 110.866 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -100.37 -42.7 6.52 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.395 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 52.8 m -107.22 142.67 36.59 Favored 'General case' 0 C--O 1.235 0.329 0 O-C-N 123.402 0.439 . . . . 0.0 110.955 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -107.42 -42.52 4.79 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.976 -0.557 . . . . 0.0 111.408 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 16.1 t -106.55 146.0 31.17 Favored 'General case' 0 C--O 1.234 0.282 0 O-C-N 123.367 0.417 . . . . 0.0 110.716 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 91.2 m-85 -128.01 157.9 72.48 Favored Pre-proline 0 CA--C 1.539 0.542 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.86 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 7.0 Cg_exo -74.33 134.73 19.43 Favored 'Trans proline' 0 C--N 1.376 2.008 0 C-N-CA 122.526 2.151 . . . . 0.0 112.665 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 19.7 p -139.92 -46.67 0.44 Allowed 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.371 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -104.26 147.29 27.65 Favored 'General case' 0 C--O 1.234 0.253 0 O-C-N 123.453 0.471 . . . . 0.0 111.142 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -150.08 122.56 1.43 Allowed Glycine 0 C--N 1.337 0.608 0 CA-C-N 115.748 -0.66 . . . . 0.0 112.525 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -100.69 146.66 26.92 Favored 'General case' 0 C--O 1.233 0.212 0 O-C-N 123.662 0.272 . . . . 0.0 111.157 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -128.7 148.03 50.8 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.934 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 63.09 126.03 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 123.955 0.902 . . . . 0.0 112.06 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 19.6 p -99.29 -45.05 6.01 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.432 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -98.76 139.28 34.69 Favored 'General case' 0 C--O 1.235 0.309 0 O-C-N 123.447 0.467 . . . . 0.0 110.98 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -109.62 146.07 35.39 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.124 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 5.8 mp -107.76 -42.31 4.77 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.218 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 3.2 m -132.06 103.47 14.17 Favored Pre-proline 0 CA--C 1.545 0.774 0 O-C-N 123.358 0.411 . . . . 0.0 111.39 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 23.2 Cg_exo -65.82 -34.16 40.88 Favored 'Trans proline' 0 C--N 1.374 1.899 0 C-N-CA 122.668 2.245 . . . . 0.0 113.196 179.56 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -119.28 143.48 47.32 Favored 'General case' 0 C--O 1.234 0.277 0 O-C-N 123.353 0.408 . . . . 0.0 110.836 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 108.02 127.44 5.64 Favored Glycine 0 C--N 1.337 0.612 0 CA-C-N 115.823 -0.626 . . . . 0.0 112.467 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 38.8 p -128.48 130.62 47.79 Favored 'General case' 0 C--O 1.234 0.27 0 O-C-N 123.64 0.259 . . . . 0.0 111.006 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 144.27 71.64 0.02 OUTLIER Glycine 0 C--N 1.338 0.663 0 CA-C-N 115.894 -0.594 . . . . 0.0 112.48 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -128.57 151.34 49.57 Favored 'General case' 0 C--O 1.237 0.397 0 O-C-N 123.65 0.265 . . . . 0.0 111.003 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -97.61 55.27 1.22 Allowed Glycine 0 C--N 1.338 0.653 0 CA-C-N 115.908 -0.587 . . . . 0.0 112.607 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -122.58 134.37 54.53 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 122.35 0.26 . . . . 0.0 110.678 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 17.9 m120 -121.64 113.53 19.89 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.999 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -140.94 -37.64 0.44 Allowed 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.954 179.753 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -76.81 -29.54 56.01 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.602 179.578 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 13.6 mt -83.43 -26.57 30.25 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.788 179.789 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -71.12 -43.66 67.17 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.771 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -64.87 -39.68 93.92 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 122.947 0.499 . . . . 0.0 111.692 179.447 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 58.9 mttp -74.45 -31.02 62.11 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.662 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -71.55 -38.22 71.04 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.577 179.523 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -75.71 -35.9 60.15 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.433 179.321 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' SER . . . . . 0.459 ' O ' ' HG3' ' A' ' 112' ' ' GLU . 16.4 t -70.24 -42.07 72.69 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.134 179.294 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 20.9 mt -72.31 -33.63 67.51 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 115.932 -0.577 . . . . 0.0 111.12 179.4 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -69.67 -34.76 74.42 Favored 'General case' 0 N--CA 1.47 0.525 0 O-C-N 123.401 0.438 . . . . 0.0 110.845 178.542 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -74.79 -29.96 61.28 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.52 178.487 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.459 ' HG3' ' O ' ' A' ' 108' ' ' SER . 42.2 mt-10 -71.47 -38.26 71.25 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.381 178.727 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 12.1 mt -75.2 -34.11 30.35 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.189 179.077 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 54.0 mt-30 -73.96 -32.52 63.51 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.951 178.715 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -73.64 -36.22 65.39 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.783 178.649 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.657 ' O ' HG12 ' A' ' 120' ' ' ILE . 13.5 mt -68.8 -41.6 78.45 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.93 178.68 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -68.2 -37.2 80.67 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.184 179.22 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -68.97 -33.84 74.35 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.082 178.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.471 ' O ' HG23 ' A' ' 123' ' ' VAL . 15.2 mt -70.75 -38.15 73.48 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.517 179.416 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . 0.657 HG12 ' O ' ' A' ' 116' ' ' LEU . 31.1 mm -70.3 -36.29 66.54 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 O-C-N 123.32 0.387 . . . . 0.0 110.223 178.771 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -72.77 -29.34 63.22 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.552 179.177 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -75.94 -38.18 57.89 Favored 'General case' 0 N--CA 1.47 0.568 0 O-C-N 123.269 0.356 . . . . 0.0 111.575 179.433 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 119' ' ' LEU . 4.7 m -74.33 -33.42 33.92 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 O-C-N 123.246 0.341 . . . . 0.0 110.938 178.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 36.5 ttt180 -71.23 -39.86 71.41 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.824 178.668 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -74.21 -30.68 62.31 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 115.875 -0.602 . . . . 0.0 112.021 179.518 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -74.98 -41.77 58.89 Favored 'General case' 0 N--CA 1.471 0.6 0 N-CA-C 112.179 0.436 . . . . 0.0 112.179 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . 0.455 ' NH1' HD21 ' A' ' 65' ' ' LEU . 60.8 mtt180 -114.43 128.94 56.6 Favored 'General case' 0 N--CA 1.465 0.324 0 O-C-N 123.342 0.401 . . . . 0.0 110.786 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 124.5 146.06 6.8 Favored Glycine 0 C--N 1.338 0.641 0 CA-C-N 115.778 -0.646 . . . . 0.0 112.451 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -100.66 131.04 46.77 Favored 'General case' 0 N--CA 1.465 0.323 0 O-C-N 123.6 0.235 . . . . 0.0 110.939 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -125.69 130.73 52.12 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.794 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 35.2 ttt180 -105.81 130.05 53.87 Favored 'General case' 0 C--O 1.233 0.222 0 O-C-N 123.607 0.567 . . . . 0.0 110.595 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 3.8 m -117.6 158.92 44.04 Favored Pre-proline 0 CA--C 1.543 0.711 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.232 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 6.7 Cg_exo . . . . . 0 C--N 1.377 2.066 0 C-N-CA 122.573 2.182 . . . . 0.0 112.768 179.989 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.317 0 CA-C-O 119.36 -0.689 . . . . 0.0 112.575 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo -76.05 126.84 9.56 Favored 'Trans proline' 0 C--N 1.371 1.712 0 C-N-CA 123.084 2.523 . . . . 0.0 112.677 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 9.3 m-90 70.63 -47.86 0.65 Allowed 'General case' 0 N--CA 1.487 1.422 0 C-N-CA 124.572 1.149 . . . . 0.0 112.576 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -110.44 129.73 55.71 Favored 'General case' 0 C--O 1.235 0.304 0 O-C-N 123.307 0.379 . . . . 0.0 110.854 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -100.42 150.33 22.74 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.797 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -97.07 116.15 28.76 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.981 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 49.4 m -130.21 -45.67 1.12 Allowed 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.704 179.628 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 62.8 m80 -129.46 94.77 3.85 Favored 'General case' 0 C--O 1.238 0.471 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.199 179.312 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.1 pp -144.04 -0.91 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 CA-C-N 115.43 -0.805 . . . . 0.0 111.891 -179.53 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 5.6 m -87.66 -6.07 10.54 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 N-CA-C 112.281 0.474 . . . . 0.0 112.281 -179.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 53.2 m -95.86 -30.9 13.41 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.686 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -91.15 -15.68 28.98 Favored 'General case' 0 N--CA 1.468 0.445 0 N-CA-C 112.248 0.462 . . . . 0.0 112.248 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -91.01 -22.32 20.84 Favored 'General case' 0 N--CA 1.468 0.432 0 O-C-N 123.279 0.362 . . . . 0.0 111.767 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.6 m -77.33 -39.67 28.36 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 N-CA-C 112.42 0.526 . . . . 0.0 112.42 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -66.07 -38.88 94.43 Favored Glycine 0 C--N 1.342 0.888 0 O-C-N 123.411 0.444 . . . . 0.0 113.681 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -73.21 -37.26 66.5 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 122.56 0.344 . . . . 0.0 111.517 179.765 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -71.55 -35.45 70.63 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.129 179.326 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 95.7 m -71.97 -36.4 69.8 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 178.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.449 ' O ' HG23 ' A' ' 23' ' ' VAL . 40.4 mt-10 -70.46 -33.25 71.07 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.76 178.774 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -73.13 -44.01 60.8 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 123.411 0.445 . . . . 0.0 111.792 179.744 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.6 mp -71.71 -27.21 27.41 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.709 0 CA-C-N 116.248 -0.433 . . . . 0.0 109.836 178.191 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -70.48 -43.98 59.8 Favored Glycine 0 C--N 1.347 1.179 0 CA-C-N 115.967 -0.56 . . . . 0.0 112.422 178.75 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 19' ' ' GLU . 4.4 m -71.15 -35.05 56.97 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 CA-C-O 120.838 0.351 . . . . 0.0 110.983 178.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 58.4 mttp -70.71 -33.6 71.03 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.864 178.542 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.433 ' O ' ' HG3' ' A' ' 29' ' ' GLU . 5.3 tp -69.47 -40.65 76.98 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.987 179.189 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 14.0 mt -68.24 -39.33 82.3 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.241 179.102 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 14.9 m-70 -70.63 -32.26 69.52 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.246 178.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.475 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 16.7 mt -74.84 -30.84 61.5 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.193 178.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.433 ' HG3' ' O ' ' A' ' 25' ' ' LEU . 42.7 mt-10 -70.77 -45.33 64.95 Favored 'General case' 0 N--CA 1.471 0.597 0 O-C-N 123.362 0.414 . . . . 0.0 110.786 179.106 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -66.98 -37.84 84.97 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.611 178.657 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 -74.36 -22.81 59.04 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.169 178.549 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.475 ' HB2' ' O ' ' A' ' 28' ' ' LEU . 3.6 tt -72.54 -45.94 56.91 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 122.87 0.468 . . . . 0.0 110.619 179.229 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.46 ' O ' ' HD2' ' A' ' 37' ' ' TYR . 5.1 mp -69.83 -37.67 76.29 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.485 178.582 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -70.35 -28.59 71.1 Favored Glycine 0 C--N 1.345 1.049 0 CA-C-N 115.651 -0.704 . . . . 0.0 112.771 178.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -81.09 -31.24 34.45 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 122.601 0.36 . . . . 0.0 111.753 179.264 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 47.8 mtt -78.15 -30.74 49.38 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 116.139 -0.482 . . . . 0.0 112.253 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.46 ' HD2' ' O ' ' A' ' 33' ' ' LEU . 12.9 m-85 -79.1 -40.78 30.23 Favored 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 112.014 0.376 . . . . 0.0 112.014 179.654 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 82.9 p -86.85 -19.83 28.38 Favored 'General case' 0 N--CA 1.47 0.57 0 O-C-N 123.334 0.396 . . . . 0.0 112.008 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 71.2 m-70 63.39 110.62 0.03 OUTLIER 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 123.958 0.903 . . . . 0.0 111.649 -179.593 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -138.13 169.5 17.68 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.937 -179.727 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -115.84 -40.3 3.36 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.424 179.759 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.83 -30.73 70.99 Favored 'General case' 0 N--CA 1.474 0.76 0 N-CA-C 112.755 0.65 . . . . 0.0 112.755 -179.767 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.439 ' O ' ' HB2' ' A' ' 47' ' ' LEU . 2.0 mt -69.15 -28.28 66.29 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 112.426 0.528 . . . . 0.0 112.426 -179.783 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 53.8 m-85 -74.04 -35.45 64.31 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 122.516 0.326 . . . . 0.0 111.355 179.177 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 55.4 mt-30 -71.94 -41.56 67.65 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.772 179.163 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 51.2 m -69.1 -34.1 74.56 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.818 178.541 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.439 ' HB2' ' O ' ' A' ' 43' ' ' LEU . 2.3 tt -70.74 -34.68 72.13 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.104 179.174 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 53.5 mt-30 -72.18 -38.51 69.07 Favored 'General case' 0 N--CA 1.473 0.712 0 O-C-N 123.568 0.542 . . . . 0.0 111.335 179.293 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -71.61 -36.07 62.41 Favored Glycine 0 C--N 1.344 0.998 0 CA-C-N 116.024 -0.535 . . . . 0.0 112.424 179.169 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -72.66 -35.57 67.75 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 122.907 0.483 . . . . 0.0 110.978 179.15 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.0 tp -71.66 -35.05 70.22 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.992 179.322 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 54.7 mt-30 -74.47 -32.93 62.75 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.973 179.062 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 18.3 p -73.05 -36.47 66.91 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.659 179.151 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 11.9 m -74.42 -34.19 35.49 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.846 178.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -69.49 -36.92 76.98 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.794 178.365 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -72.67 -34.37 67.16 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.162 178.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 14.3 p -73.36 -33.7 65.21 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.31 178.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 20.6 mt -72.99 -37.22 67.08 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.886 179.055 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.464 ' O ' HG13 ' A' ' 62' ' ' ILE . 13.7 tt0 -69.44 -38.6 77.9 Favored 'General case' 0 N--CA 1.47 0.566 0 O-C-N 123.536 0.523 . . . . 0.0 110.292 178.539 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.408 ' O ' ' HB2' ' A' ' 64' ' ' GLN . . . -69.95 -30.7 68.15 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.95 178.608 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 37.3 mmm -70.32 -43.44 70.31 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 115.822 -0.627 . . . . 0.0 111.529 178.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.464 HG13 ' O ' ' A' ' 59' ' ' GLN . 1.4 pt -75.56 -25.13 17.45 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 O-C-N 123.47 0.481 . . . . 0.0 112.073 179.507 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 2.6 tt -85.31 -24.94 27.47 Favored 'General case' 0 N--CA 1.469 0.51 0 O-C-N 123.435 0.46 . . . . 0.0 111.388 179.543 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.408 ' HB2' ' O ' ' A' ' 60' ' ' ALA . 5.1 tt0 -91.6 -27.43 18.16 Favored 'General case' 0 N--CA 1.468 0.448 0 O-C-N 123.176 0.298 . . . . 0.0 111.776 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 22.6 mt -87.92 -31.45 19.43 Favored 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 111.95 0.352 . . . . 0.0 111.95 -179.749 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 55.3 mt-30 -92.9 157.66 39.0 Favored Pre-proline 0 CA--C 1.541 0.607 0 O-C-N 123.27 0.356 . . . . 0.0 111.0 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 7.9 Cg_exo -73.48 141.02 30.86 Favored 'Trans proline' 0 C--N 1.377 2.035 0 C-N-CA 122.577 2.184 . . . . 0.0 112.794 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 19.2 p -137.22 129.8 30.05 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.001 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -99.83 130.99 46.07 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.923 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 62.35 121.41 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 123.909 0.883 . . . . 0.0 112.078 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -128.25 129.79 46.94 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 115.78 -0.646 . . . . 0.0 111.048 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -177.15 -127.23 1.03 Allowed Glycine 0 C--N 1.336 0.556 0 CA-C-N 115.892 -0.595 . . . . 0.0 112.561 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -101.58 141.25 34.74 Favored 'General case' 0 N--CA 1.464 0.265 0 O-C-N 123.59 0.23 . . . . 0.0 110.813 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -100.25 152.08 20.71 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.189 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 53.4 m -120.7 -36.61 3.14 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.693 -179.764 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -90.44 -43.51 10.23 Favored 'General case' 0 N--CA 1.466 0.355 0 O-C-N 123.336 0.397 . . . . 0.0 111.896 -179.644 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 59.2 m -101.82 143.98 31.05 Favored 'General case' 0 C--O 1.234 0.253 0 O-C-N 123.371 0.419 . . . . 0.0 110.862 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 87.4 m-85 -132.6 157.05 79.32 Favored Pre-proline 0 CA--C 1.541 0.605 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.927 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -76.06 -36.69 1.84 Allowed 'Trans proline' 0 C--N 1.376 2.009 0 C-N-CA 122.541 2.161 . . . . 0.0 112.99 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 18.4 p -128.93 147.77 50.87 Favored 'General case' 0 N--CA 1.466 0.372 0 O-C-N 123.419 0.45 . . . . 0.0 111.068 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -103.11 147.02 27.51 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.086 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -121.93 122.59 5.16 Favored Glycine 0 C--N 1.338 0.642 0 CA-C-N 115.884 -0.598 . . . . 0.0 112.537 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -126.26 136.99 53.46 Favored 'General case' 0 C--O 1.234 0.24 0 O-C-N 123.631 0.253 . . . . 0.0 111.078 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -105.65 142.44 35.39 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.824 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -105.36 147.42 28.2 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.946 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 18.5 p -134.52 128.27 33.01 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.932 -0.577 . . . . 0.0 111.05 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 62.86 125.49 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.335 0 C-N-CA 123.975 0.91 . . . . 0.0 112.025 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -108.47 144.42 36.12 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.047 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 5.8 mp -114.42 140.33 48.77 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.893 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 4.0 m -97.4 158.8 32.55 Favored Pre-proline 0 CA--C 1.545 0.766 0 O-C-N 123.656 0.598 . . . . 0.0 111.331 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 6.6 Cg_exo -75.11 157.9 42.04 Favored 'Trans proline' 0 C--N 1.376 1.984 0 C-N-CA 122.685 2.256 . . . . 0.0 112.683 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -109.94 146.93 34.36 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.89 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -99.56 87.15 0.73 Allowed Glycine 0 C--N 1.337 0.591 0 O-C-N 123.676 0.61 . . . . 0.0 112.59 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 45.6 p -127.66 -42.27 1.63 Allowed 'General case' 0 C--O 1.236 0.348 0 O-C-N 123.703 0.296 . . . . 0.0 111.242 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 165.84 148.99 5.72 Favored Glycine 0 C--N 1.34 0.76 0 O-C-N 123.398 0.436 . . . . 0.0 112.543 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 89.0 m-85 -100.4 142.71 31.5 Favored 'General case' 0 C--O 1.235 0.312 0 C-N-CA 122.352 0.261 . . . . 0.0 110.925 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 141.14 66.03 0.03 OUTLIER Glycine 0 C--N 1.336 0.557 0 CA-C-N 115.88 -0.6 . . . . 0.0 112.477 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -100.78 147.8 25.65 Favored 'General case' 0 N--CA 1.465 0.322 0 O-C-N 123.604 0.238 . . . . 0.0 110.96 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 42.6 m-80 -116.93 -15.29 10.64 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.769 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -90.02 -21.08 22.54 Favored 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 111.882 0.327 . . . . 0.0 111.882 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -77.0 -31.1 56.21 Favored 'General case' 0 N--CA 1.471 0.585 0 N-CA-C 112.32 0.489 . . . . 0.0 112.32 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 13.6 mt -86.33 -26.77 24.69 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.955 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -73.43 -38.32 65.58 Favored 'General case' 0 N--CA 1.472 0.649 0 O-C-N 123.381 0.426 . . . . 0.0 111.915 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -64.67 -40.2 95.01 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.692 179.528 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -78.23 -31.45 49.3 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.474 179.791 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -71.75 -41.02 68.94 Favored 'General case' 0 N--CA 1.47 0.551 0 O-C-N 123.276 0.36 . . . . 0.0 111.383 179.336 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -75.97 -35.33 59.69 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.847 179.582 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 16.5 t -70.2 -41.98 72.95 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 123.299 0.374 . . . . 0.0 111.126 179.457 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 3.7 mp -72.71 -34.92 67.45 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.33 179.464 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -69.3 -34.99 75.54 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.104 178.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -74.79 -31.74 61.82 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.81 178.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -73.29 -32.66 64.77 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.522 178.799 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 23.8 mt -78.82 -33.12 16.16 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 178.735 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 -70.38 -35.84 73.75 Favored 'General case' 0 N--CA 1.473 0.684 0 O-C-N 123.367 0.417 . . . . 0.0 110.614 178.548 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 12.4 t80 -75.43 -36.03 60.84 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.83 178.265 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.645 ' O ' HG12 ' A' ' 120' ' ' ILE . 13.1 tp -69.46 -42.23 75.19 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.57 178.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -69.32 -34.9 75.35 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.954 179.155 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -68.64 -34.37 75.61 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.68 178.604 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.598 ' O ' HG23 ' A' ' 123' ' ' VAL . 16.9 mt -69.65 -40.56 76.39 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.336 179.054 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . 0.645 HG12 ' O ' ' A' ' 116' ' ' LEU . 22.7 mm -67.4 -35.87 74.82 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 O-C-N 123.346 0.404 . . . . 0.0 110.317 178.846 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -72.56 -30.2 64.22 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.427 179.211 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -76.06 -33.85 59.59 Favored 'General case' 0 N--CA 1.471 0.596 0 O-C-N 123.445 0.465 . . . . 0.0 111.832 179.504 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . 0.598 HG23 ' O ' ' A' ' 119' ' ' LEU . 38.2 t -77.58 -33.9 19.79 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 178.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 74.7 mtp180 -71.09 -38.27 72.41 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.275 178.723 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -74.23 -38.82 63.42 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.883 179.444 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -75.54 -44.69 42.21 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 116.127 -0.488 . . . . 0.0 112.136 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 30.6 mmt180 70.2 -52.24 0.64 Allowed 'General case' 0 N--CA 1.487 1.406 0 C-N-CA 124.436 1.094 . . . . 0.0 112.427 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 154.65 -59.05 0.39 Allowed Glycine 0 C--N 1.338 0.683 0 O-C-N 123.302 0.376 . . . . 0.0 112.456 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -128.44 -42.65 1.47 Allowed 'General case' 0 C--O 1.236 0.372 0 C-N-CA 122.306 0.242 . . . . 0.0 111.164 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -102.56 136.38 42.5 Favored 'General case' 0 N--CA 1.465 0.291 0 O-C-N 123.381 0.425 . . . . 0.0 110.787 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -108.88 -44.61 3.97 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.105 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . 0.614 ' H ' ' CD ' ' A' ' 133' ' ' PRO . 3.4 m -142.26 -32.09 0.0 OUTLIER Pre-proline 0 CA--C 1.552 1.022 0 N-CA-C 113.391 0.886 . . . . 0.0 113.391 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . 0.614 ' CD ' ' H ' ' A' ' 132' ' ' VAL . 3.8 Cg_exo . . . . . 0 C--N 1.385 2.455 0 C-N-CA 122.028 1.819 . . . . 0.0 112.733 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.175 0 CA-C-O 119.233 -0.759 . . . . 0.0 112.765 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 5.1 Cg_exo -75.82 159.98 37.87 Favored 'Trans proline' 0 C--N 1.369 1.61 0 C-N-CA 123.073 2.515 . . . . 0.0 112.827 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 30.6 m-90 -98.93 146.88 25.54 Favored 'General case' 0 N--CA 1.465 0.302 0 O-C-N 123.591 0.557 . . . . 0.0 110.987 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 58.7 mttp -128.4 -31.09 2.31 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.446 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -90.04 144.11 26.19 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.145 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -128.12 -7.5 5.41 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.722 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 14.4 t -87.88 -16.25 34.45 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 122.505 0.322 . . . . 0.0 111.737 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 61.0 m80 -93.5 -36.77 12.27 Favored 'General case' 0 N--CA 1.468 0.443 0 O-C-N 123.241 0.338 . . . . 0.0 111.417 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.1 pp -94.57 85.29 1.78 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 CA-C-O 121.432 0.634 . . . . 0.0 111.209 179.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 3.1 m -147.17 -35.59 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 CA-C-N 115.109 -0.95 . . . . 0.0 111.153 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 71.4 m -85.76 -18.99 31.44 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.91 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -95.78 -16.83 21.64 Favored 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 112.149 0.425 . . . . 0.0 112.149 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -92.49 -22.34 19.63 Favored 'General case' 0 N--CA 1.469 0.516 0 O-C-N 123.266 0.354 . . . . 0.0 111.832 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.5 m -75.61 -39.46 39.82 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 N-CA-C 112.646 0.61 . . . . 0.0 112.646 -179.552 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -65.29 -40.35 96.54 Favored Glycine 0 C--N 1.342 0.887 0 CA-C-N 116.312 -0.404 . . . . 0.0 113.768 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -75.87 -35.53 59.85 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 122.425 0.29 . . . . 0.0 111.692 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -73.88 -34.54 64.49 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.194 179.35 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.427 ' HB3' ' NH2' ' A' ' 124' ' ' ARG . 78.8 m -74.38 -36.09 63.53 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.651 178.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.559 ' O ' HG23 ' A' ' 23' ' ' VAL . 9.2 tt0 -70.13 -35.5 74.12 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.163 178.861 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -73.03 -39.79 65.66 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.736 179.51 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.482 ' O ' ' HB2' ' A' ' 25' ' ' LEU . 1.2 mp -72.26 -27.43 26.59 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.66 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.062 178.36 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -71.99 -45.21 43.0 Favored Glycine 0 C--N 1.346 1.134 0 O-C-N 123.49 0.493 . . . . 0.0 112.584 178.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.559 HG23 ' O ' ' A' ' 19' ' ' GLU . 3.3 m -71.06 -35.28 58.35 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 CA-C-O 120.715 0.293 . . . . 0.0 111.305 179.355 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -71.49 -33.61 69.42 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.963 178.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.482 ' HB2' ' O ' ' A' ' 21' ' ' ILE . 2.6 tt -69.61 -39.99 76.89 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 179.23 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 13.7 mt -67.85 -39.82 83.77 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.087 178.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 14.5 m-70 -69.85 -33.1 71.83 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.4 178.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.445 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 23.9 mt -74.88 -29.53 61.04 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.239 178.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.432 ' HG3' ' O ' ' A' ' 25' ' ' LEU . 45.0 mt-10 -72.0 -42.29 66.61 Favored 'General case' 0 N--CA 1.473 0.682 0 O-C-N 123.414 0.446 . . . . 0.0 110.884 178.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -69.79 -37.12 76.2 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.91 178.724 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 53.9 mt-30 -74.31 -26.16 60.0 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.322 178.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.445 ' HB2' ' O ' ' A' ' 28' ' ' LEU . 4.5 tt -73.64 -42.99 60.69 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.63 179.328 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.46 ' O ' ' HD2' ' A' ' 37' ' ' TYR . 8.7 mt -70.07 -37.66 75.54 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.766 178.853 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -71.97 -30.05 66.15 Favored Glycine 0 C--N 1.343 0.949 0 CA-C-N 115.716 -0.674 . . . . 0.0 112.587 178.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -81.08 -26.56 36.17 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 122.661 0.384 . . . . 0.0 111.708 179.107 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 37.3 mtt -79.84 -37.13 35.66 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 112.141 0.423 . . . . 0.0 112.141 179.652 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.46 ' HD2' ' O ' ' A' ' 33' ' ' LEU . 35.2 m-85 -81.18 -39.22 25.82 Favored 'General case' 0 N--CA 1.471 0.598 0 O-C-N 123.272 0.357 . . . . 0.0 111.901 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 14.2 t -86.58 -23.08 25.91 Favored 'General case' 0 N--CA 1.47 0.536 0 O-C-N 123.442 0.463 . . . . 0.0 111.817 179.769 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 71.3 m-70 62.25 108.88 0.02 OUTLIER 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 123.96 0.904 . . . . 0.0 111.856 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -142.76 157.8 44.28 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.9 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -98.52 -39.42 8.74 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.591 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.69 -39.32 88.05 Favored 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 112.522 0.564 . . . . 0.0 112.522 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 6.5 mp -70.16 -28.74 65.57 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-N 116.013 -0.54 . . . . 0.0 112.083 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -70.79 -37.92 73.34 Favored 'General case' 0 N--CA 1.471 0.596 0 O-C-N 123.302 0.376 . . . . 0.0 110.802 179.326 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 -72.01 -36.58 69.77 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.536 178.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 53.3 m -69.22 -37.26 77.96 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.361 178.589 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 20.2 mt -70.87 -36.36 72.76 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.871 179.411 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 11.9 tt0 -71.94 -39.37 69.46 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.47 179.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -71.78 -39.04 60.46 Favored Glycine 0 C--N 1.343 0.937 0 CA-C-N 116.073 -0.512 . . . . 0.0 112.9 179.571 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -71.94 -35.67 69.67 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 122.767 0.427 . . . . 0.0 111.343 179.579 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.7 tt -72.35 -35.2 68.47 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.89 179.339 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 4.3 tp60 -74.85 -30.95 61.51 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.035 179.181 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 16.6 p -74.84 -36.64 62.38 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.578 179.082 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 12.0 m -74.54 -33.96 34.01 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 O-C-N 123.315 0.385 . . . . 0.0 110.821 178.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 33.6 tttm -71.3 -37.25 71.83 Favored 'General case' 0 C--N 1.347 0.491 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.699 178.714 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -72.87 -33.56 66.17 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.082 178.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 12.0 p -73.76 -33.44 64.29 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.276 178.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 6.8 tp -72.86 -38.38 67.07 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.534 179.181 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.493 ' O ' HG13 ' A' ' 62' ' ' ILE . 54.8 mt-30 -69.38 -37.67 77.67 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.602 178.565 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.441 ' O ' ' HB2' ' A' ' 64' ' ' GLN . . . -70.09 -31.49 69.09 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.028 178.612 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 65.8 mmm -70.52 -42.43 71.26 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.506 179.013 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.493 HG13 ' O ' ' A' ' 59' ' ' GLN . 1.2 pt -75.48 -25.05 17.52 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 O-C-N 123.461 0.476 . . . . 0.0 111.751 179.082 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.6 tp -85.13 -23.37 28.47 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.162 179.149 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.441 ' HB2' ' O ' ' A' ' 60' ' ' ALA . 6.2 tt0 -87.66 -33.11 18.9 Favored 'General case' 0 N--CA 1.469 0.512 0 O-C-N 123.41 0.444 . . . . 0.0 111.273 179.581 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 11.4 mt -86.95 -38.14 16.93 Favored 'General case' 0 N--CA 1.47 0.531 0 O-C-N 123.425 0.453 . . . . 0.0 111.363 179.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -112.82 106.25 55.41 Favored Pre-proline 0 CA--C 1.542 0.653 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.507 179.571 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 25.0 Cg_exo -63.94 -36.18 51.03 Favored 'Trans proline' 0 C--N 1.374 1.887 0 C-N-CA 122.766 2.311 . . . . 0.0 113.69 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 18.9 p -139.21 143.9 38.25 Favored 'General case' 0 N--CA 1.465 0.325 0 O-C-N 123.315 0.384 . . . . 0.0 111.43 -179.733 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.46 ' NZ ' ' HB ' ' A' ' 62' ' ' ILE . 94.6 mttt -130.77 146.7 52.3 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.761 179.711 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -128.69 130.62 47.41 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.767 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -125.18 -43.06 1.96 Allowed 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.417 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 137.39 -160.27 25.04 Favored Glycine 0 C--N 1.34 0.77 0 O-C-N 123.516 0.51 . . . . 0.0 112.656 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -109.16 -42.31 4.44 Favored 'General case' 0 N--CA 1.465 0.292 0 C-N-CA 122.333 0.253 . . . . 0.0 111.236 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . 62.91 125.04 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 123.892 0.877 . . . . 0.0 112.239 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 40.2 p -127.9 149.86 50.13 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.092 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -100.02 141.67 32.54 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.888 -0.597 . . . . 0.0 111.087 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 52.1 m -101.32 147.66 26.05 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.94 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 27.1 p90 -98.67 118.37 63.19 Favored Pre-proline 0 CA--C 1.543 0.676 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.023 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 26.7 Cg_exo -63.76 141.6 79.42 Favored 'Trans proline' 0 C--N 1.376 2.02 0 C-N-CA 122.657 2.238 . . . . 0.0 113.084 179.473 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 5.9 t -137.38 -43.4 0.55 Allowed 'General case' 0 CA--C 1.537 0.443 0 O-C-N 123.707 0.63 . . . . 0.0 111.358 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -121.88 146.7 46.85 Favored 'General case' 0 C--O 1.236 0.37 0 O-C-N 123.388 0.43 . . . . 0.0 111.134 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 159.64 -80.94 0.15 Allowed Glycine 0 C--N 1.336 0.566 0 CA-C-N 115.943 -0.571 . . . . 0.0 112.492 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -98.64 -42.81 7.08 Favored 'General case' 0 C--O 1.234 0.25 0 O-C-N 123.667 0.275 . . . . 0.0 111.38 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 70.94 -50.63 0.68 Allowed 'General case' 0 N--CA 1.488 1.448 0 C-N-CA 124.383 1.073 . . . . 0.0 112.364 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -100.84 139.53 36.4 Favored 'General case' 0 N--CA 1.466 0.331 0 O-C-N 123.2 0.313 . . . . 0.0 110.826 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 7.2 t -137.44 126.55 24.46 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.997 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -106.67 145.65 31.73 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.905 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -123.79 142.21 51.31 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.085 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 5.8 mp -100.84 141.92 33.04 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.963 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 3.3 m -99.63 106.13 38.16 Favored Pre-proline 0 CA--C 1.545 0.772 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.221 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 25.7 Cg_exo -64.33 144.65 86.61 Favored 'Trans proline' 0 C--N 1.377 2.052 0 C-N-CA 122.617 2.212 . . . . 0.0 113.039 179.43 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -98.69 -43.5 6.78 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.34 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -169.11 130.49 2.07 Favored Glycine 0 C--N 1.34 0.772 0 O-C-N 123.461 0.476 . . . . 0.0 112.523 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 16.1 t -106.25 137.76 43.62 Favored 'General case' 0 C--O 1.234 0.271 0 C-N-CA 122.29 0.236 . . . . 0.0 110.663 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 148.77 55.44 0.02 OUTLIER Glycine 0 C--N 1.337 0.624 0 CA-C-N 115.827 -0.624 . . . . 0.0 112.493 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -105.91 -42.73 5.05 Favored 'General case' 0 N--CA 1.465 0.32 0 O-C-N 123.669 0.276 . . . . 0.0 111.204 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 144.34 57.87 0.02 OUTLIER Glycine 0 C--N 1.339 0.729 0 O-C-N 123.572 0.545 . . . . 0.0 112.52 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 57.8 mmtt -108.74 146.03 34.19 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 120.583 0.23 . . . . 0.0 110.912 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 51.6 m-80 -110.19 127.3 54.86 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.793 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -121.29 -29.36 4.5 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 115.839 -0.618 . . . . 0.0 110.954 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -76.81 -29.8 56.13 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 122.846 0.458 . . . . 0.0 112.016 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 25.3 mt -83.72 -26.77 29.48 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.83 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -74.88 -38.39 61.91 Favored 'General case' 0 N--CA 1.473 0.691 0 O-C-N 123.294 0.371 . . . . 0.0 111.758 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -64.56 -40.69 96.02 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 122.889 0.476 . . . . 0.0 111.758 179.61 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -77.03 -35.55 56.84 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.543 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -71.55 -38.93 70.95 Favored 'General case' 0 N--CA 1.47 0.555 0 O-C-N 123.473 0.483 . . . . 0.0 111.575 179.285 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -75.84 -32.84 59.97 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.749 179.414 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 44.7 p -71.28 -41.88 69.43 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.328 179.318 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 19.2 mt -73.25 -34.91 66.1 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.265 179.459 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -70.3 -34.78 73.14 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.244 179.107 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -75.53 -31.33 60.05 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.916 178.774 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -73.56 -33.48 64.7 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.491 178.773 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 27.7 mt -78.89 -33.13 15.99 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 O-C-N 123.289 0.368 . . . . 0.0 110.061 178.803 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 50.5 mt-30 -69.97 -36.05 74.91 Favored 'General case' 0 N--CA 1.471 0.596 0 O-C-N 123.369 0.418 . . . . 0.0 110.481 178.195 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -75.0 -35.86 61.98 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.992 178.592 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 11.6 tp -69.09 -35.89 76.98 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 115.43 -0.804 . . . . 0.0 110.654 178.754 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 92.3 mttt -72.5 -38.28 68.17 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.981 179.061 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -69.1 -31.77 70.73 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.217 178.277 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.562 ' O ' HG21 ' A' ' 123' ' ' VAL . 17.0 mt -71.11 -43.79 66.95 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.432 179.478 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 1.8 pp -69.54 -33.49 57.22 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.825 0 O-C-N 123.283 0.364 . . . . 0.0 111.164 179.15 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -72.98 -31.59 64.63 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.633 179.02 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -74.62 -37.13 62.9 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.699 179.592 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . 0.562 HG21 ' O ' ' A' ' 119' ' ' LEU . 2.8 m -74.55 -34.05 34.2 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 O-C-N 123.346 0.404 . . . . 0.0 111.146 178.572 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . 0.427 ' NH2' ' HB3' ' A' ' 18' ' ' CYS . 97.9 mtt180 -71.1 -38.22 72.38 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.358 178.622 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -74.29 -36.4 63.76 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.936 179.767 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -75.24 -40.08 59.34 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 112.284 0.475 . . . . 0.0 112.284 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 3.3 mmp_? -98.29 129.45 44.99 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.985 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 114.49 55.24 0.4 Allowed Glycine 0 C--N 1.337 0.606 0 CA-C-N 115.872 -0.603 . . . . 0.0 112.495 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -112.04 133.69 54.05 Favored 'General case' 0 C--O 1.235 0.291 0 C-N-CA 122.283 0.233 . . . . 0.0 110.742 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -117.27 130.75 56.76 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.9 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 37.7 ttt180 -107.06 130.27 54.69 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.411 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 4.2 m -110.88 158.86 34.51 Favored Pre-proline 0 CA--C 1.544 0.72 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.336 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 7.1 Cg_exo . . . . . 0 C--N 1.377 2.027 0 C-N-CA 122.56 2.173 . . . . 0.0 112.728 179.774 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.172 0 CA-C-O 119.255 -0.747 . . . . 0.0 112.639 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -75.45 -35.36 2.88 Favored 'Trans proline' 0 C--N 1.369 1.644 0 C-N-CA 123.1 2.533 . . . . 0.0 113.031 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 12.4 t-105 -100.45 134.07 43.95 Favored 'General case' 0 C--O 1.234 0.276 0 O-C-N 123.504 0.502 . . . . 0.0 110.606 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -100.86 146.6 27.11 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.891 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -125.82 147.19 49.5 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.876 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -123.59 114.67 20.34 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.87 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 13.9 t -146.09 -34.02 0.31 Allowed 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.46 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 61.9 m80 -92.53 1.83 57.03 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 112.451 0.537 . . . . 0.0 112.451 -179.253 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.4 pp -89.92 0.19 8.42 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 N-CA-C 112.385 0.513 . . . . 0.0 112.385 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 4.8 m -90.12 -30.48 5.05 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 N-CA-C 112.079 0.399 . . . . 0.0 112.079 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 53.1 m -92.88 -15.77 26.02 Favored 'General case' 0 N--CA 1.467 0.397 0 O-C-N 123.435 0.459 . . . . 0.0 112.022 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -96.69 -25.86 15.39 Favored 'General case' 0 N--CA 1.467 0.392 0 N-CA-C 112.214 0.45 . . . . 0.0 112.214 -179.63 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -87.24 -22.21 25.36 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 112.22 0.452 . . . . 0.0 112.22 -179.659 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.1 m -72.54 -39.5 61.78 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 N-CA-C 112.546 0.573 . . . . 0.0 112.546 -179.692 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -64.08 -40.37 98.06 Favored Glycine 0 C--N 1.342 0.869 0 O-C-N 123.543 0.527 . . . . 0.0 113.728 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -75.38 -34.68 61.12 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 122.459 0.304 . . . . 0.0 111.403 179.808 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -74.24 -33.91 63.48 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.977 179.018 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.545 ' O ' HG21 ' A' ' 21' ' ' ILE . 42.6 t -72.66 -38.51 67.61 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.839 178.822 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.562 ' O ' HG22 ' A' ' 23' ' ' VAL . 41.9 mt-10 -70.17 -37.2 75.11 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.645 179.25 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -73.43 -36.61 65.96 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.642 179.601 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.545 HG21 ' O ' ' A' ' 18' ' ' CYS . 1.4 tp -73.69 -27.51 23.13 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.797 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.283 178.906 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -73.4 -45.09 31.36 Favored Glycine 0 C--N 1.347 1.145 0 CA-C-N 115.724 -0.671 . . . . 0.0 112.399 178.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.562 HG22 ' O ' ' A' ' 19' ' ' GLU . 3.2 m -71.3 -32.18 46.2 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.925 0 CA-C-O 120.744 0.307 . . . . 0.0 111.051 178.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 47.4 tttt -73.11 -33.69 65.71 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.665 178.735 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.427 ' O ' ' HG3' ' A' ' 29' ' ' GLU . 6.7 tp -70.13 -40.56 74.77 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.029 178.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.8 mt -69.01 -39.66 79.17 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.269 179.303 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 10.6 t-80 -70.21 -31.78 69.37 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.745 178.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.45 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 2.7 tt -74.9 -30.64 61.35 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.94 179.118 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.427 ' HG3' ' O ' ' A' ' 25' ' ' LEU . 42.5 mt-10 -72.38 -41.67 66.08 Favored 'General case' 0 N--CA 1.473 0.678 0 O-C-N 123.516 0.51 . . . . 0.0 111.0 179.133 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -69.9 -37.24 75.92 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.937 178.67 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 12.9 tt0 -74.05 -27.19 60.8 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.965 179.136 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.45 ' HB2' ' O ' ' A' ' 28' ' ' LEU . 3.4 tt -74.7 -39.25 62.07 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.703 179.271 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.45 ' O ' ' HD1' ' A' ' 37' ' ' TYR . 4.7 tp -70.2 -39.94 74.88 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.607 179.139 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -72.09 -31.7 63.88 Favored Glycine 0 C--N 1.343 0.958 0 CA-C-N 115.669 -0.696 . . . . 0.0 113.007 179.078 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -81.24 -26.02 36.17 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 112.238 0.458 . . . . 0.0 112.238 179.635 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 16.8 mmt -82.92 -36.32 25.36 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 112.074 0.398 . . . . 0.0 112.074 -179.796 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.45 ' HD1' ' O ' ' A' ' 33' ' ' LEU . 29.7 m-85 -81.17 -35.39 31.5 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 112.087 0.403 . . . . 0.0 112.087 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 53.9 m -86.59 -27.23 24.01 Favored 'General case' 0 N--CA 1.469 0.48 0 O-C-N 123.373 0.42 . . . . 0.0 111.854 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 67.0 m80 61.53 110.14 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 123.854 0.862 . . . . 0.0 111.917 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -143.41 162.36 35.97 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.808 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -96.67 -41.24 8.6 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.677 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.81 -37.8 85.23 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 112.725 0.639 . . . . 0.0 112.725 -179.739 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.449 ' O ' ' HB2' ' A' ' 47' ' ' LEU . 6.4 mp -72.04 -28.54 63.42 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 112.363 0.505 . . . . 0.0 112.363 -179.639 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -73.46 -36.62 65.89 Favored 'General case' 0 N--CA 1.473 0.688 0 O-C-N 123.217 0.323 . . . . 0.0 111.411 179.426 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 54.4 mt-30 -72.64 -40.85 66.08 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.459 179.057 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 16.2 t -69.03 -35.79 77.02 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.802 178.612 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.449 ' HB2' ' O ' ' A' ' 43' ' ' LEU . 2.9 tt -70.76 -33.89 71.27 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.259 179.204 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.3 tp-100 -69.92 -43.58 71.38 Favored 'General case' 0 N--CA 1.472 0.66 0 O-C-N 123.443 0.465 . . . . 0.0 111.024 179.554 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -70.73 -37.77 66.83 Favored Glycine 0 C--N 1.343 0.942 0 CA-C-N 116.032 -0.531 . . . . 0.0 112.511 179.046 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.648 ' O ' HG21 ' A' ' 54' ' ' VAL . 39.5 mt-10 -71.13 -35.84 71.88 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 122.679 0.392 . . . . 0.0 111.203 179.321 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.406 ' HB2' ' O ' ' A' ' 47' ' ' LEU . 4.8 tp -70.81 -35.12 72.37 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.813 179.26 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 11.8 mm100 -72.5 -33.13 66.72 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.294 179.022 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 19.8 p -74.66 -35.5 62.83 Favored 'General case' 0 N--CA 1.473 0.688 0 O-C-N 123.389 0.43 . . . . 0.0 111.535 179.121 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.648 HG21 ' O ' ' A' ' 50' ' ' GLU . 71.7 t -74.11 -34.19 37.61 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.306 179.039 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 55.9 tttt -72.97 -37.22 67.14 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.929 179.287 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -73.05 -33.17 65.53 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.345 179.09 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.495 ' O ' ' HB2' ' A' ' 61' ' ' MET . 16.9 p -75.74 -33.22 60.24 Favored 'General case' 0 N--CA 1.472 0.647 0 O-C-N 123.501 0.501 . . . . 0.0 111.309 179.089 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -73.78 -37.01 65.11 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.522 179.03 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.454 ' O ' HG13 ' A' ' 62' ' ' ILE . 54.7 mt-30 -69.88 -41.35 74.88 Favored 'General case' 0 N--CA 1.471 0.583 0 O-C-N 123.557 0.536 . . . . 0.0 111.003 178.824 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -70.24 -30.32 67.35 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.295 178.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.566 ' O ' ' HB2' ' A' ' 65' ' ' LEU . 1.0 OUTLIER -73.6 -40.88 63.52 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.317 179.421 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.454 HG13 ' O ' ' A' ' 59' ' ' GLN . 2.2 pp -75.28 -27.1 19.19 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.564 179.781 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 2.9 tt -81.7 -29.78 32.85 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.706 178.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -90.94 -15.16 30.23 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.239 179.236 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.566 ' HB2' ' O ' ' A' ' 61' ' ' MET . 1.8 tt -73.23 -36.42 66.45 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 122.74 0.416 . . . . 0.0 111.672 179.651 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 12.0 mm100 -96.85 157.76 34.61 Favored Pre-proline 0 CA--C 1.541 0.601 0 O-C-N 123.464 0.478 . . . . 0.0 111.038 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 6.7 Cg_exo -74.61 142.96 29.84 Favored 'Trans proline' 0 C--N 1.376 1.997 0 C-N-CA 122.657 2.238 . . . . 0.0 112.838 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 18.7 p -140.6 126.91 19.86 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.98 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 55.5 mmtt -100.4 128.22 46.52 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.954 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -130.7 130.19 43.53 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.88 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -125.87 131.86 52.29 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.079 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 100.97 -132.44 10.94 Favored Glycine 0 C--N 1.338 0.646 0 CA-C-N 115.831 -0.622 . . . . 0.0 112.473 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -105.03 144.64 31.55 Favored 'General case' 0 C--O 1.235 0.294 0 O-C-N 123.63 0.253 . . . . 0.0 110.953 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -100.8 145.8 28.09 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.058 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 53.3 m -119.18 -43.01 2.65 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.229 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . 62.56 125.67 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 123.887 0.875 . . . . 0.0 112.321 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 52.9 m -124.52 145.61 49.46 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.903 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 90.0 m-85 -99.25 158.05 32.94 Favored Pre-proline 0 CA--C 1.54 0.577 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.884 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 7.3 Cg_exo -74.33 153.63 45.44 Favored 'Trans proline' 0 C--N 1.376 2.013 0 C-N-CA 122.557 2.171 . . . . 0.0 112.689 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 18.6 p -138.49 141.94 39.39 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.021 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -122.47 146.74 47.1 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.169 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 120.54 64.13 0.25 Allowed Glycine 0 C--N 1.338 0.646 0 CA-C-N 115.821 -0.627 . . . . 0.0 112.46 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -125.88 -41.79 1.94 Allowed 'General case' 0 C--O 1.235 0.323 0 O-C-N 123.643 0.261 . . . . 0.0 111.522 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 54.4 mt-30 -122.29 -41.26 2.42 Favored 'General case' 0 N--CA 1.467 0.425 0 O-C-N 123.417 0.448 . . . . 0.0 111.287 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -98.09 142.3 29.97 Favored 'General case' 0 N--CA 1.465 0.32 0 O-C-N 123.41 0.444 . . . . 0.0 111.01 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 18.4 p -113.15 148.7 34.83 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.107 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -129.11 -38.72 1.6 Allowed 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.264 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -93.35 -37.92 11.75 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.716 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 11.2 mt -95.36 131.1 41.83 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.092 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 4.0 m -136.75 159.21 71.19 Favored Pre-proline 0 CA--C 1.545 0.768 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.281 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 7.9 Cg_exo -73.66 157.21 48.62 Favored 'Trans proline' 0 C--N 1.377 2.041 0 C-N-CA 122.538 2.159 . . . . 0.0 112.782 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -127.71 145.98 50.72 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.894 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 172.02 -151.85 15.84 Favored Glycine 0 C--N 1.336 0.556 0 O-C-N 123.69 0.619 . . . . 0.0 112.606 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 16.0 t -103.98 145.37 30.25 Favored 'General case' 0 C--O 1.235 0.327 0 C-N-CA 122.33 0.252 . . . . 0.0 110.74 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 151.15 141.14 3.29 Favored Glycine 0 C--N 1.337 0.595 0 CA-C-N 115.836 -0.62 . . . . 0.0 112.478 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -115.44 129.61 56.62 Favored 'General case' 0 C--O 1.235 0.296 0 C-N-CA 122.334 0.254 . . . . 0.0 110.824 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 98.76 145.95 19.58 Favored Glycine 0 C--N 1.338 0.642 0 CA-C-N 115.841 -0.618 . . . . 0.0 112.478 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -128.61 126.83 41.05 Favored 'General case' 0 C--O 1.235 0.338 0 C-N-CA 122.343 0.257 . . . . 0.0 110.933 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 42.7 m-80 -132.26 -23.1 2.19 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.479 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -92.36 -19.4 22.13 Favored 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 112.269 0.47 . . . . 0.0 112.269 -179.613 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -67.98 -39.45 83.3 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 112.753 0.649 . . . . 0.0 112.753 -179.434 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -86.59 -27.58 23.81 Favored 'General case' 0 N--CA 1.471 0.618 0 O-C-N 123.361 0.413 . . . . 0.0 112.091 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -74.52 -41.0 61.4 Favored 'General case' 0 N--CA 1.471 0.617 0 O-C-N 123.247 0.342 . . . . 0.0 111.884 -179.799 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -64.67 -37.55 87.98 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.642 179.49 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 66.2 mttm -76.23 -36.74 58.4 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.596 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -71.43 -37.43 71.45 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.596 179.375 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -75.81 -33.67 60.13 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.627 179.277 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 57.7 m -71.63 -38.4 70.76 Favored 'General case' 0 N--CA 1.471 0.586 0 O-C-N 123.262 0.351 . . . . 0.0 111.366 179.248 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 21.9 mt -73.2 -37.91 66.3 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.226 179.22 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -69.64 -33.88 73.24 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.346 179.307 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.481 ' O ' ' HD1' ' A' ' 115' ' ' TYR . 92.8 mttt -75.27 -32.93 61.19 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.006 178.831 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.514 ' O ' ' HB2' ' A' ' 116' ' ' LEU . 41.9 mt-10 -73.35 -32.13 64.36 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.466 178.873 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 28.4 mt -78.42 -32.97 16.9 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 O-C-N 123.366 0.417 . . . . 0.0 109.911 178.483 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -67.39 -41.02 85.66 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.277 178.449 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . 0.481 ' HD1' ' O ' ' A' ' 111' ' ' LYS . 13.5 m-85 -72.24 -35.41 68.8 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.189 178.115 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.514 ' HB2' ' O ' ' A' ' 112' ' ' GLU . 2.7 tp -66.34 -37.51 85.5 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 115.186 -0.915 . . . . 0.0 111.04 178.841 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.517 ' O ' HG13 ' A' ' 120' ' ' ILE . 93.8 mttt -72.24 -38.84 68.83 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.027 179.427 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -68.88 -31.16 69.9 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.314 178.487 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.586 ' O ' HG22 ' A' ' 123' ' ' VAL . 13.1 mt -71.71 -43.76 65.34 Favored 'General case' 0 C--O 1.238 0.485 0 O-C-N 123.342 0.401 . . . . 0.0 111.42 179.545 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . 0.517 HG13 ' O ' ' A' ' 117' ' ' LYS . 1.1 pt -70.07 -32.95 53.03 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.359 178.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -72.86 -31.38 64.69 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.566 178.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -73.7 -39.3 64.45 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.635 179.421 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . 0.586 HG22 ' O ' ' A' ' 119' ' ' LEU . 2.3 m -73.63 -33.05 37.66 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 O-C-N 123.299 0.374 . . . . 0.0 111.233 178.626 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . 0.526 ' HD2' ' SG ' ' A' ' 18' ' ' CYS . 71.4 mtp180 -70.65 -37.85 73.78 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.195 178.461 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -74.22 -34.21 63.61 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.619 179.256 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -75.26 -42.18 55.66 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 116.074 -0.512 . . . . 0.0 112.266 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 6.8 tpt180 -101.96 129.88 48.35 Favored 'General case' 0 C--O 1.235 0.311 0 O-C-N 123.312 0.382 . . . . 0.0 110.596 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -135.47 -140.05 4.13 Favored Glycine 0 C--N 1.336 0.571 0 CA-C-N 115.788 -0.642 . . . . 0.0 112.416 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 11.6 tptp -103.11 -43.22 5.54 Favored 'General case' 0 C--O 1.235 0.338 0 O-C-N 123.617 0.245 . . . . 0.0 110.888 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 56.4 mmtt -102.95 142.57 33.83 Favored 'General case' 0 N--CA 1.465 0.278 0 O-C-N 123.47 0.481 . . . . 0.0 110.899 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . 0.527 ' O ' ' HD3' ' A' ' 133' ' ' PRO . 84.7 mtm180 -101.49 140.25 36.03 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.801 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 3.1 m -100.26 96.54 5.2 Favored Pre-proline 0 CA--C 1.547 0.852 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.364 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . 0.527 ' HD3' ' O ' ' A' ' 131' ' ' ARG . 12.0 Cg_exo . . . . . 0 C--N 1.374 1.87 0 C-N-CA 122.712 2.275 . . . . 0.0 112.706 179.558 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.268 0 CA-C-O 119.338 -0.701 . . . . 0.0 112.664 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 5.9 Cg_exo -75.92 155.89 38.83 Favored 'Trans proline' 0 C--N 1.369 1.652 0 C-N-CA 123.091 2.528 . . . . 0.0 112.761 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 94.3 m95 -99.8 138.62 36.63 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.819 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -129.32 145.48 51.37 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.024 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -112.64 155.79 23.84 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.53 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -93.95 111.47 23.19 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.039 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 16.5 t -139.75 -43.84 0.44 Allowed 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 115.619 -0.718 . . . . 0.0 110.857 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 61.2 m80 -121.61 -18.29 7.23 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.621 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.1 pp -89.77 83.4 2.14 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.531 0 CA-C-O 121.378 0.609 . . . . 0.0 111.162 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 3.2 m -146.09 -34.89 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 CA-C-N 115.087 -0.96 . . . . 0.0 111.405 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 67.5 m -82.62 -15.52 51.83 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 115.892 -0.595 . . . . 0.0 112.028 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -96.69 -16.13 21.09 Favored 'General case' 0 N--CA 1.466 0.355 0 O-C-N 123.351 0.407 . . . . 0.0 111.988 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -90.37 -22.27 21.57 Favored 'General case' 0 N--CA 1.471 0.598 0 O-C-N 123.334 0.397 . . . . 0.0 111.766 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.3 m -77.16 -37.65 26.3 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 N-CA-C 112.332 0.493 . . . . 0.0 112.332 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -58.92 -35.23 82.13 Favored Glycine 0 C--N 1.342 0.893 0 O-C-N 123.489 0.493 . . . . 0.0 113.694 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -76.87 -32.02 57.2 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 122.504 0.322 . . . . 0.0 111.218 179.46 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 58.7 mttp -75.61 -34.15 60.57 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.776 179.12 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.497 ' O ' HG22 ' A' ' 21' ' ' ILE . 79.0 m -73.22 -39.81 65.21 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 115.833 -0.622 . . . . 0.0 110.754 178.819 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.55 ' O ' HG23 ' A' ' 23' ' ' VAL . 42.0 mt-10 -70.34 -35.02 73.34 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.379 179.091 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.93 -38.51 66.79 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.698 179.612 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.497 HG22 ' O ' ' A' ' 18' ' ' CYS . 3.7 tp -73.41 -27.5 23.78 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.804 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.339 178.828 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.21 -43.93 45.59 Favored Glycine 0 C--N 1.348 1.204 0 CA-C-N 115.855 -0.611 . . . . 0.0 112.321 178.54 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.55 HG23 ' O ' ' A' ' 19' ' ' GLU . 3.1 m -70.55 -36.08 64.32 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.866 0 CA-C-O 120.72 0.295 . . . . 0.0 111.077 178.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -70.15 -33.46 71.81 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.828 178.667 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.472 ' HB2' ' O ' ' A' ' 21' ' ' ILE . 2.9 tt -69.59 -39.69 77.15 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.853 179.22 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 14.2 mt -69.14 -37.94 78.55 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.391 179.123 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 22.3 m80 -71.75 -32.75 68.03 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.248 178.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.473 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 20.3 mt -74.97 -30.94 61.33 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.21 178.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -72.56 -40.78 66.4 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.873 179.154 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -69.74 -38.13 76.74 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.591 178.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -74.47 -25.43 59.39 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.401 178.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.473 ' HB2' ' O ' ' A' ' 28' ' ' LEU . 4.6 tt -73.24 -44.32 59.69 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.771 179.388 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 6.7 mt -71.71 -35.35 70.19 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.71 178.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -72.23 -29.98 65.69 Favored Glycine 0 C--N 1.345 1.035 0 CA-C-N 115.623 -0.717 . . . . 0.0 112.819 178.574 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -81.05 -31.18 34.61 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 122.585 0.354 . . . . 0.0 111.787 179.47 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 51.3 mtt -79.47 -32.52 42.62 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.913 179.695 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 9.0 t80 -81.21 -39.78 24.88 Favored 'General case' 0 N--CA 1.468 0.469 0 O-C-N 123.406 0.442 . . . . 0.0 111.445 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 14.7 t -86.62 -26.62 24.31 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.748 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 74.9 m-70 62.98 107.93 0.03 OUTLIER 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 123.846 0.858 . . . . 0.0 111.775 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -143.54 164.83 29.28 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.736 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -102.66 -41.91 6.08 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.624 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.99 -37.72 84.73 Favored 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 112.814 0.672 . . . . 0.0 112.814 -179.726 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.491 ' O ' ' HB2' ' A' ' 47' ' ' LEU . 6.3 mp -70.52 -28.79 65.21 Favored 'General case' 0 N--CA 1.472 0.657 0 N-CA-C 112.443 0.534 . . . . 0.0 112.443 -179.509 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -75.71 -34.5 60.38 Favored 'General case' 0 N--CA 1.472 0.636 0 O-C-N 123.266 0.353 . . . . 0.0 111.491 179.494 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -72.2 -42.43 65.82 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.647 179.209 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 51.5 m -69.15 -35.04 75.92 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.131 178.662 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.491 ' HB2' ' O ' ' A' ' 43' ' ' LEU . 4.7 tp -70.84 -33.95 71.18 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.604 179.208 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -73.18 -39.45 65.59 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.576 179.465 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -71.53 -37.77 62.09 Favored Glycine 0 C--N 1.342 0.892 0 O-C-N 123.506 0.504 . . . . 0.0 112.594 179.16 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -72.36 -35.51 68.52 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 122.818 0.447 . . . . 0.0 111.151 179.316 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.409 ' HB2' ' O ' ' A' ' 47' ' ' LEU . 2.6 tt -71.67 -35.0 70.19 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.153 179.298 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -74.24 -33.37 63.3 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.085 179.12 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 19.8 p -73.03 -36.85 67.03 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.667 179.23 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 15.0 m -74.96 -33.89 30.98 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.76 178.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 55.7 tttt -70.02 -35.98 74.74 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.751 178.699 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -72.77 -37.27 67.69 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.886 178.658 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 13.1 p -70.82 -34.58 71.85 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.117 178.784 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.578 ' O ' HG12 ' A' ' 62' ' ' ILE . 0.8 OUTLIER -71.02 -40.36 71.82 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.759 179.35 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 54.8 mt-30 -67.23 -35.68 80.07 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.481 178.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.482 ' O ' ' HB2' ' A' ' 64' ' ' GLN . . . -70.05 -31.17 68.67 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.87 178.224 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.525 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 13.9 ttt -68.87 -44.71 72.73 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.209 179.115 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.578 HG12 ' O ' ' A' ' 58' ' ' LEU . 1.9 mm -75.28 -25.11 17.83 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.939 0 O-C-N 123.284 0.365 . . . . 0.0 110.69 179.413 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.7 tp -83.74 -21.18 32.33 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.09 179.436 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.482 ' HB2' ' O ' ' A' ' 60' ' ' ALA . 11.5 tt0 -87.41 -36.98 17.44 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.183 179.547 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.525 ' HG ' ' O ' ' A' ' 61' ' ' MET . 0.8 OUTLIER -126.91 78.9 1.84 Allowed 'General case' 0 C--O 1.238 0.485 0 CA-C-O 121.589 0.709 . . . . 0.0 110.641 179.674 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -114.57 137.68 22.8 Favored Pre-proline 0 CA--C 1.542 0.646 0 CA-C-N 115.111 -0.949 . . . . 0.0 110.34 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_exo -61.74 144.65 97.33 Favored 'Trans proline' 0 C--N 1.377 2.06 0 C-N-CA 122.59 2.193 . . . . 0.0 113.15 179.713 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 19.0 p -113.51 -26.87 8.1 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.725 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -89.34 -39.37 13.49 Favored 'General case' 0 N--CA 1.468 0.467 0 O-C-N 123.35 0.406 . . . . 0.0 111.536 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -97.23 128.58 44.23 Favored 'General case' 0 N--CA 1.466 0.336 0 O-C-N 123.381 0.426 . . . . 0.0 110.91 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -126.47 146.8 49.96 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.095 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -167.15 124.21 1.2 Allowed Glycine 0 C--N 1.337 0.584 0 CA-C-N 115.853 -0.612 . . . . 0.0 112.516 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -99.25 -42.83 6.85 Favored 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 122.317 0.247 . . . . 0.0 111.174 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -114.38 137.77 51.4 Favored 'General case' 0 C--O 1.233 0.234 0 O-C-N 123.461 0.475 . . . . 0.0 111.093 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 52.5 m -127.04 -42.23 1.74 Allowed 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.313 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -121.2 131.42 54.23 Favored 'General case' 0 C--O 1.236 0.364 0 O-C-N 123.395 0.434 . . . . 0.0 111.073 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 39.5 p -127.27 131.01 50.61 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.02 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 90.4 m-85 -128.21 113.46 19.94 Favored Pre-proline 0 CA--C 1.541 0.605 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.826 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -64.95 142.7 76.34 Favored 'Trans proline' 0 C--N 1.375 1.973 0 C-N-CA 122.624 2.216 . . . . 0.0 112.884 179.496 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 19.1 p -136.98 138.46 40.56 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.106 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -125.62 -42.22 1.95 Allowed 'General case' 0 C--O 1.236 0.343 0 O-C-N 123.655 0.597 . . . . 0.0 111.408 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -178.6 129.85 1.46 Allowed Glycine 0 C--N 1.34 0.771 0 O-C-N 123.482 0.489 . . . . 0.0 112.446 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -125.41 130.27 51.55 Favored 'General case' 0 C--O 1.235 0.319 0 O-C-N 123.642 0.26 . . . . 0.0 111.123 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -129.67 -42.07 1.31 Allowed 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.225 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -98.73 -41.24 7.77 Favored 'General case' 0 N--CA 1.465 0.316 0 O-C-N 123.439 0.462 . . . . 0.0 110.956 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 7.6 t -95.84 159.05 15.17 Favored 'General case' 0 CA--C 1.537 0.449 0 O-C-N 123.404 0.44 . . . . 0.0 111.205 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 71.43 -48.25 0.67 Allowed 'General case' 0 N--CA 1.489 1.495 0 C-N-CA 124.46 1.104 . . . . 0.0 112.404 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -96.87 -42.58 7.88 Favored 'General case' 0 N--CA 1.465 0.304 0 O-C-N 123.207 0.317 . . . . 0.0 111.47 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 5.7 mp 62.69 125.4 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 123.957 0.903 . . . . 0.0 112.166 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 3.9 m -104.63 158.96 30.87 Favored Pre-proline 0 CA--C 1.545 0.762 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.17 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 7.8 Cg_exo -73.83 148.68 41.4 Favored 'Trans proline' 0 C--N 1.377 2.053 0 C-N-CA 122.541 2.161 . . . . 0.0 112.749 179.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -100.49 145.08 28.72 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.831 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 106.06 -106.83 2.65 Favored Glycine 0 C--N 1.337 0.628 0 CA-C-N 115.791 -0.64 . . . . 0.0 112.505 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 16.4 t -111.06 -42.95 3.84 Favored 'General case' 0 N--CA 1.465 0.294 0 O-C-N 123.671 0.277 . . . . 0.0 111.081 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 130.99 88.35 0.46 Allowed Glycine 0 C--N 1.34 0.805 0 O-C-N 123.435 0.46 . . . . 0.0 112.409 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 90.1 m-85 -121.45 145.13 48.25 Favored 'General case' 0 C--O 1.235 0.311 0 C-N-CA 122.295 0.238 . . . . 0.0 110.914 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -133.35 91.13 0.26 Allowed Glycine 0 C--N 1.337 0.586 0 O-C-N 123.701 0.626 . . . . 0.0 112.456 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -100.12 -40.64 7.5 Favored 'General case' 0 N--CA 1.468 0.437 0 O-C-N 123.661 0.271 . . . . 0.0 111.335 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 17.0 m120 -97.87 114.11 26.1 Favored 'General case' 0 C--O 1.238 0.449 0 O-C-N 123.411 0.444 . . . . 0.0 111.012 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -139.53 -37.01 0.5 Allowed 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.115 179.775 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -76.65 -29.73 56.54 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.744 179.525 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 15.2 mt -84.23 -26.62 28.55 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.724 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -71.96 -39.37 69.41 Favored 'General case' 0 N--CA 1.473 0.714 0 O-C-N 123.278 0.361 . . . . 0.0 111.852 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -64.69 -39.71 94.13 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 122.848 0.459 . . . . 0.0 111.691 179.657 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -76.72 -33.19 58.18 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.675 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -71.47 -40.27 70.38 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 123.432 0.457 . . . . 0.0 111.583 179.483 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -75.97 -33.72 59.78 Favored 'General case' 0 N--CA 1.469 0.476 0 O-C-N 123.651 0.594 . . . . 0.0 111.672 179.394 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 50.5 p -71.02 -41.54 70.72 Favored 'General case' 0 N--CA 1.47 0.535 0 O-C-N 123.28 0.363 . . . . 0.0 111.291 179.404 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 22.7 mt -73.55 -35.11 65.45 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.28 179.446 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -69.31 -35.94 76.48 Favored 'General case' 0 N--CA 1.471 0.593 0 O-C-N 123.393 0.433 . . . . 0.0 111.257 179.196 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -74.98 -32.19 61.63 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.868 178.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.471 ' O ' ' HB2' ' A' ' 116' ' ' LEU . 40.3 mt-10 -73.58 -31.31 63.54 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.686 178.876 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 28.5 mt -80.06 -33.31 14.37 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 O-C-N 123.288 0.368 . . . . 0.0 110.068 178.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -69.71 -36.08 75.59 Favored 'General case' 0 N--CA 1.473 0.68 0 O-C-N 123.263 0.352 . . . . 0.0 110.241 178.158 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 12.6 t80 -75.26 -35.75 61.32 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-N 115.472 -0.785 . . . . 0.0 109.877 178.134 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.471 ' HB2' ' O ' ' A' ' 112' ' ' GLU . 5.1 tp -68.51 -38.93 81.36 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.946 178.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.464 ' O ' HG13 ' A' ' 120' ' ' ILE . 94.7 mttt -71.9 -37.03 70.18 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.883 179.11 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . 0.499 ' O ' ' HB2' ' A' ' 122' ' ' GLU . 3.3 t70 -69.47 -31.14 69.23 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.982 178.331 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.597 ' O ' HG21 ' A' ' 123' ' ' VAL . 15.7 mt -71.34 -43.44 67.0 Favored 'General case' 0 C--N 1.347 0.489 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.36 179.439 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . 0.464 HG13 ' O ' ' A' ' 117' ' ' LYS . 1.4 pp -70.1 -36.24 67.3 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 O-C-N 123.371 0.42 . . . . 0.0 111.326 178.886 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -73.1 -27.08 61.5 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.035 178.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . 0.499 ' HB2' ' O ' ' A' ' 118' ' ' ASP . 10.7 tt0 -75.87 -39.3 56.77 Favored 'General case' 0 C--N 1.346 0.431 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.378 179.537 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . 0.597 HG21 ' O ' ' A' ' 119' ' ' LEU . 1.1 m -73.33 -33.3 40.41 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 O-C-N 123.309 0.381 . . . . 0.0 110.984 178.519 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 78.9 mtp180 -70.39 -40.09 74.15 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.872 178.475 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -74.52 -33.35 62.75 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.692 178.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -75.37 -41.9 55.33 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 116.02 -0.536 . . . . 0.0 112.248 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 30.5 ttt180 -125.05 138.61 54.19 Favored 'General case' 0 C--O 1.236 0.351 0 O-C-N 123.421 0.451 . . . . 0.0 110.639 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 158.32 98.85 0.15 Allowed Glycine 0 C--N 1.336 0.568 0 CA-C-N 115.909 -0.587 . . . . 0.0 112.501 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -104.47 141.25 36.7 Favored 'General case' 0 C--O 1.236 0.373 0 O-C-N 123.613 0.243 . . . . 0.0 110.872 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -129.71 150.65 50.93 Favored 'General case' 0 C--O 1.236 0.354 0 O-C-N 123.62 0.575 . . . . 0.0 110.939 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -97.07 -42.32 7.93 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.287 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 3.9 m -136.36 158.75 72.87 Favored Pre-proline 0 CA--C 1.545 0.752 0 O-C-N 123.333 0.396 . . . . 0.0 111.298 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 6.5 Cg_exo . . . . . 0 C--N 1.376 1.997 0 C-N-CA 122.548 2.166 . . . . 0.0 112.761 179.845 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 3.3 m . . . . . 0 N--CA 1.471 0.621 0 CA-C-O 120.469 0.176 . . . . 0.0 111.237 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 71.0 m -83.22 -23.44 32.79 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.79 179.77 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -95.81 -13.96 23.64 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.634 179.6 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -91.41 -22.18 20.59 Favored 'General case' 0 N--CA 1.47 0.549 0 O-C-N 123.478 0.486 . . . . 0.0 111.664 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 1.8 m -71.83 -37.41 61.75 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 N-CA-C 112.54 0.57 . . . . 0.0 112.54 -179.8 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -59.75 -43.27 98.0 Favored Glycine 0 C--N 1.343 0.965 0 O-C-N 123.427 0.454 . . . . 0.0 113.447 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -71.87 -35.53 69.83 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 122.606 0.362 . . . . 0.0 111.095 179.309 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.66 ' O ' HG12 ' A' ' 21' ' ' ILE . 66.1 mttm -70.26 -36.96 74.79 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.928 179.157 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 90.8 m -69.64 -36.67 76.32 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.743 178.764 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -69.36 -32.37 71.4 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.644 178.503 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -71.7 -38.16 70.58 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.315 178.814 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.66 HG12 ' O ' ' A' ' 17' ' ' LYS . 34.4 mm -73.12 -27.6 24.65 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 CA-C-N 116.143 -0.48 . . . . 0.0 109.904 178.59 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.04 -42.25 52.22 Favored Glycine 0 C--N 1.347 1.173 0 O-C-N 123.594 0.559 . . . . 0.0 112.298 178.631 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 7.8 p -71.14 -34.91 56.47 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.873 0 C-N-CA 122.4 0.28 . . . . 0.0 110.391 178.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.41 ' O ' ' HB2' ' A' ' 28' ' ' LEU . 96.9 mttt -72.33 -33.43 67.33 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.918 178.656 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.467 ' HB2' ' O ' ' A' ' 21' ' ' ILE . 2.5 tt -69.68 -39.19 77.12 Favored 'General case' 0 C--N 1.348 0.51 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.053 179.078 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 13.3 mt -69.66 -40.72 76.28 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.122 179.074 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 22.1 m80 -70.63 -31.44 68.39 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.997 178.69 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.479 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 5.2 tp -74.33 -31.42 62.44 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.935 179.092 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.422 ' HG3' ' O ' ' A' ' 25' ' ' LEU . 44.1 mt-10 -72.77 -40.07 66.27 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.893 179.01 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -69.52 -38.21 77.45 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.513 178.659 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -74.34 -25.63 59.65 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.103 178.806 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.479 ' HB2' ' O ' ' A' ' 28' ' ' LEU . 3.5 tt -73.53 -40.83 63.71 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.636 179.16 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.411 ' O ' ' HD1' ' A' ' 37' ' ' TYR . 4.7 tp -70.96 -39.14 72.73 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.55 178.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -72.09 -29.43 66.74 Favored Glycine 0 C--N 1.342 0.888 0 CA-C-N 115.697 -0.683 . . . . 0.0 113.078 179.04 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -81.31 -30.79 33.8 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 112.112 0.412 . . . . 0.0 112.112 179.73 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 43.2 mtt -80.91 -34.06 33.71 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 112.258 0.466 . . . . 0.0 112.258 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.411 ' HD1' ' O ' ' A' ' 33' ' ' LEU . 23.1 m-85 -81.16 -39.27 25.79 Favored 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 111.933 0.345 . . . . 0.0 111.933 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 54.4 m -86.74 -22.95 25.67 Favored 'General case' 0 N--CA 1.47 0.53 0 O-C-N 123.4 0.438 . . . . 0.0 111.947 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 3.9 t60 61.78 110.46 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 123.968 0.907 . . . . 0.0 111.512 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.417 ' CB ' HD12 ' A' ' 43' ' ' LEU . 7.0 m-20 -141.69 163.73 32.12 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.887 -179.788 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -104.07 -42.66 5.48 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.36 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.91 -37.41 84.31 Favored 'General case' 0 N--CA 1.473 0.716 0 N-CA-C 112.792 0.664 . . . . 0.0 112.792 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.483 ' O ' ' HB2' ' A' ' 47' ' ' LEU . 10.6 mt -71.47 -28.74 64.15 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 116.106 -0.497 . . . . 0.0 112.283 -179.42 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -75.65 -34.49 60.52 Favored 'General case' 0 N--CA 1.472 0.664 0 O-C-N 123.324 0.39 . . . . 0.0 111.422 179.412 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 54.9 mt-30 -72.13 -42.32 66.16 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.607 179.04 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 52.0 m -69.15 -33.92 74.19 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.053 178.448 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.483 ' HB2' ' O ' ' A' ' 43' ' ' LEU . 4.3 tp -70.49 -35.62 73.36 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.429 179.232 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 54.1 mt-30 -72.49 -39.86 67.35 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.5 179.596 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -71.58 -38.59 61.56 Favored Glycine 0 C--N 1.344 0.981 0 CA-C-N 116.046 -0.524 . . . . 0.0 112.553 179.39 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.576 ' O ' HG23 ' A' ' 54' ' ' VAL . 42.1 mt-10 -71.52 -35.91 70.86 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 122.758 0.423 . . . . 0.0 111.155 179.398 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.6 tt -71.36 -35.09 71.0 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.887 179.316 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 -73.6 -31.96 63.84 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.243 179.115 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 19.4 p -75.11 -35.37 61.73 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.633 179.149 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.576 HG23 ' O ' ' A' ' 50' ' ' GLU . 95.1 t -75.26 -33.83 29.3 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.246 178.875 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 14.0 ttpt -72.39 -37.1 68.8 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.07 179.185 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -72.91 -36.79 67.35 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.136 179.073 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 18.0 p -73.24 -31.56 64.19 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.168 179.061 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.7 tp -74.01 -37.28 64.43 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.574 179.202 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.523 ' O ' HG13 ' A' ' 62' ' ' ILE . 47.1 mt-30 -69.42 -37.88 77.62 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.739 178.646 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.63 -34.48 74.11 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.745 178.508 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' MET . . . . . 0.474 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 68.7 mmm -66.09 -43.96 85.76 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.35 178.845 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.523 HG13 ' O ' ' A' ' 59' ' ' GLN . 1.4 pt -75.11 -23.75 17.4 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 O-C-N 123.576 0.548 . . . . 0.0 111.508 179.416 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.441 ' O ' HD23 ' A' ' 63' ' ' LEU . 2.7 tt -84.58 -19.66 32.72 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.867 178.807 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -87.96 -38.92 15.14 Favored 'General case' 0 N--CA 1.468 0.459 0 O-C-N 123.435 0.459 . . . . 0.0 112.167 179.731 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.474 ' HG ' ' O ' ' A' ' 61' ' ' MET . 3.1 pp . . . . . 0 N--CA 1.475 0.787 0 N-CA-C 112.108 0.41 . . . . 0.0 112.108 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 . . . . . 0 N--CA 1.468 0.438 0 CA-C-O 120.544 0.211 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -76.83 -29.54 55.96 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.612 179.617 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 16.0 mt -84.36 -26.51 28.37 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.772 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 63.5 mttm -69.33 -41.49 76.61 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 122.585 0.354 . . . . 0.0 111.954 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -64.74 -39.94 94.47 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 122.838 0.455 . . . . 0.0 111.728 179.61 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 47.5 tttt -74.58 -31.01 61.91 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.321 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -71.54 -37.68 71.1 Favored 'General case' 0 N--CA 1.469 0.516 0 O-C-N 123.446 0.466 . . . . 0.0 111.575 179.356 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -75.9 -35.23 59.88 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.513 179.355 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 52.4 m -70.24 -40.68 74.32 Favored 'General case' 0 N--CA 1.47 0.545 0 O-C-N 123.365 0.415 . . . . 0.0 111.418 179.266 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 22.2 mt -73.28 -36.11 66.26 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.113 179.293 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.403 ' O ' ' HG3' ' A' ' 114' ' ' GLN . . . -68.37 -35.19 77.36 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.131 179.149 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 111' ' ' LYS . . . . . 0.484 ' O ' ' HD2' ' A' ' 115' ' ' TYR . 95.0 mttt -73.92 -34.24 64.28 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.742 178.791 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.408 ' O ' ' HB2' ' A' ' 116' ' ' LEU . 42.8 mt-10 -71.26 -31.61 67.72 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.371 178.865 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 24.3 mt -78.23 -33.02 17.37 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 178.45 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' GLN . . . . . 0.403 ' HG3' ' O ' ' A' ' 110' ' ' ALA . 53.0 mt-30 -66.81 -39.67 87.8 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.601 178.398 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 115' ' ' TYR . . . . . 0.484 ' HD2' ' O ' ' A' ' 111' ' ' LYS . 17.8 m-85 -73.92 -35.8 64.64 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.195 178.157 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.408 ' HB2' ' O ' ' A' ' 112' ' ' GLU . 5.1 tp -68.49 -36.17 78.54 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.945 178.863 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -72.85 -38.5 67.04 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.041 179.25 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -69.14 -32.07 71.18 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.424 178.299 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.582 ' O ' HG22 ' A' ' 123' ' ' VAL . 16.2 mt -71.59 -42.85 67.22 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.361 179.586 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 2.1 pp -70.2 -33.42 54.58 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 O-C-N 123.336 0.398 . . . . 0.0 111.201 179.073 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -73.03 -31.23 64.32 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.514 179.012 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -74.33 -37.98 63.4 Favored 'General case' 0 N--CA 1.469 0.512 0 O-C-N 123.381 0.425 . . . . 0.0 111.667 179.477 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.582 HG22 ' O ' ' A' ' 119' ' ' LEU . 2.5 m -73.62 -34.25 41.13 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 O-C-N 123.244 0.34 . . . . 0.0 111.108 178.541 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -71.07 -38.51 72.45 Favored 'General case' 0 N--CA 1.472 0.634 0 O-C-N 123.543 0.527 . . . . 0.0 111.403 178.649 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -74.17 -34.81 63.93 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-N 116.05 -0.523 . . . . 0.0 112.138 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.55 0 CA-C-N 116.12 -0.491 . . . . 0.0 112.133 -179.791 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 10.9 p . . . . . 0 CA--C 1.545 0.778 0 CA-C-O 120.492 0.187 . . . . 0.0 110.845 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 58.2 m -88.09 -26.77 22.35 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.784 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -93.9 -14.54 25.93 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.946 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -90.57 -22.28 21.34 Favored 'General case' 0 N--CA 1.469 0.517 0 O-C-N 123.365 0.416 . . . . 0.0 111.774 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.3 m -74.32 -38.73 47.92 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.775 0 N-CA-C 112.413 0.523 . . . . 0.0 112.413 -179.709 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -66.88 -37.26 92.1 Favored Glycine 0 C--N 1.341 0.857 0 O-C-N 123.441 0.463 . . . . 0.0 113.636 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -76.68 -31.72 57.45 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 122.564 0.346 . . . . 0.0 111.525 179.746 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 64.6 mttm -76.17 -33.95 59.35 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.933 179.189 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 93.6 m -73.57 -39.47 64.65 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.73 178.719 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.556 ' O ' HG22 ' A' ' 23' ' ' VAL . 42.3 mt-10 -70.38 -36.32 74.05 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.426 179.06 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.97 -37.49 67.03 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.602 179.685 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.536 ' O ' ' HB2' ' A' ' 25' ' ' LEU . 3.0 tp -73.67 -27.61 23.34 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.776 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.421 178.912 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -73.04 -43.04 41.98 Favored Glycine 0 C--N 1.348 1.226 0 CA-C-N 115.837 -0.62 . . . . 0.0 112.487 178.661 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.556 HG22 ' O ' ' A' ' 19' ' ' GLU . 3.0 m -71.01 -36.52 63.84 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 CA-C-O 120.704 0.288 . . . . 0.0 111.186 178.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -69.34 -36.02 76.5 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.734 178.662 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.536 ' HB2' ' O ' ' A' ' 21' ' ' ILE . 0.2 OUTLIER -69.86 -35.38 74.65 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.86 179.014 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.63 -40.82 80.13 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.935 179.152 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 30.2 m80 -69.9 -32.67 71.12 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 116.009 -0.542 . . . . 0.0 111.131 178.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.497 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 21.0 mt -74.73 -29.79 61.29 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.187 178.794 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.416 ' HG3' ' O ' ' A' ' 25' ' ' LEU . 40.2 mt-10 -72.39 -41.48 66.26 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.865 179.098 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -69.63 -37.61 76.87 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.731 178.683 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -74.14 -25.0 59.5 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.059 178.752 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.497 ' HB2' ' O ' ' A' ' 28' ' ' LEU . 2.8 tt -75.28 -39.52 59.62 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.833 179.206 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.5 mp -71.91 -37.36 70.08 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.725 178.685 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -71.81 -32.58 63.76 Favored Glycine 0 C--N 1.343 0.959 0 CA-C-N 115.733 -0.667 . . . . 0.0 112.34 178.594 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -81.16 -24.72 37.36 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 122.787 0.435 . . . . 0.0 111.437 178.765 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 13.0 mtt -80.34 -32.48 37.84 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.607 179.47 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -78.18 -35.57 48.51 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.487 179.646 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 55.6 p -86.58 -27.85 23.65 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.763 179.741 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 3.8 t60 63.15 108.24 0.03 OUTLIER 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 124.067 0.947 . . . . 0.0 111.712 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -143.14 166.48 24.57 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.433 179.783 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -98.01 -40.22 8.56 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.571 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.02 -39.94 87.16 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 112.907 0.706 . . . . 0.0 112.907 -179.653 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 21.1 mt -70.15 -35.75 74.25 Favored 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 112.373 0.508 . . . . 0.0 112.373 -179.314 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -68.86 -34.22 75.09 Favored 'General case' 0 N--CA 1.471 0.62 0 O-C-N 123.245 0.341 . . . . 0.0 111.538 179.633 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -72.64 -40.23 66.55 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.635 178.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 52.1 m -69.14 -37.84 78.5 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.295 178.745 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 20.0 mt -70.81 -33.75 71.03 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.835 179.384 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 50.5 mt-30 -72.7 -39.21 67.17 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.501 179.462 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -71.62 -37.04 62.01 Favored Glycine 0 C--N 1.344 1.004 0 CA-C-N 116.109 -0.496 . . . . 0.0 112.633 179.107 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.518 ' O ' HG22 ' A' ' 54' ' ' VAL . 43.0 mt-10 -72.37 -35.52 68.5 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 122.859 0.463 . . . . 0.0 111.164 179.236 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.7 tt -71.81 -35.21 69.89 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.892 179.154 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -74.66 -31.44 61.94 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.064 179.068 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 17.6 p -74.49 -36.36 63.25 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.556 179.173 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.518 HG22 ' O ' ' A' ' 50' ' ' GLU . 10.6 m -74.65 -34.01 33.44 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 O-C-N 123.243 0.34 . . . . 0.0 110.955 178.844 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 55.0 tttt -71.07 -37.15 72.47 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.618 178.613 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -72.89 -33.57 66.11 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.097 178.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 12.3 p -73.48 -33.06 64.64 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.265 178.809 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.9 tt -72.5 -39.36 67.69 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.551 179.178 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.436 ' O ' HG13 ' A' ' 62' ' ' ILE . 54.3 mt-30 -69.4 -36.68 77.0 Favored 'General case' 0 N--CA 1.472 0.675 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.662 178.618 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.447 ' O ' ' HB2' ' A' ' 64' ' ' GLN . . . -70.12 -31.74 69.43 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.021 178.683 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 55.0 mmm -70.72 -43.1 69.65 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.514 179.059 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.436 HG13 ' O ' ' A' ' 59' ' ' GLN . 1.4 pt -75.67 -24.34 16.94 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 O-C-N 123.385 0.428 . . . . 0.0 111.851 179.222 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.6 tp -85.4 -24.74 27.38 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.292 179.404 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.447 ' HB2' ' O ' ' A' ' 60' ' ' ALA . 11.6 tt0 -89.25 -31.91 17.65 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.451 179.684 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 12.4 mt . . . . . 0 N--CA 1.469 0.481 0 O-C-N 123.322 0.389 . . . . 0.0 111.323 179.914 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 . . . . . 0 N--CA 1.471 0.589 0 N-CA-C 111.997 0.369 . . . . 0.0 111.997 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -76.92 -29.87 55.86 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 112.314 0.487 . . . . 0.0 112.314 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 11.9 mt -85.3 -26.93 26.3 Favored 'General case' 0 N--CA 1.47 0.572 0 O-C-N 123.347 0.404 . . . . 0.0 111.956 -179.782 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 63.9 mttm -74.81 -35.81 62.46 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 111.974 0.361 . . . . 0.0 111.974 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -64.51 -41.37 96.45 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 122.731 0.412 . . . . 0.0 111.645 179.675 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -78.77 -33.28 46.52 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.498 179.786 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -71.64 -38.05 70.79 Favored 'General case' 0 N--CA 1.47 0.555 0 O-C-N 123.466 0.479 . . . . 0.0 111.493 179.206 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -75.95 -38.48 57.52 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.738 179.507 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 66.4 m -70.37 -37.58 74.6 Favored 'General case' 0 N--CA 1.471 0.619 0 O-C-N 123.214 0.321 . . . . 0.0 111.189 179.368 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 3.6 tp -73.22 -37.03 66.55 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.82 179.372 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -68.35 -34.89 76.89 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.264 179.184 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -74.35 -33.37 63.1 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.954 178.855 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.438 ' O ' ' HB2' ' A' ' 116' ' ' LEU . 42.4 mt-10 -73.5 -31.25 63.63 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.623 178.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 26.7 mt -79.45 -33.09 15.08 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 178.872 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 52.2 mt-30 -69.06 -38.3 79.01 Favored 'General case' 0 N--CA 1.472 0.636 0 O-C-N 123.411 0.445 . . . . 0.0 110.319 178.262 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 13.5 t80 -73.8 -35.83 64.94 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.891 178.434 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.438 ' HB2' ' O ' ' A' ' 112' ' ' GLU . 7.3 tp -67.98 -38.18 82.4 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.798 178.739 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 92.4 mttt -70.33 -38.43 74.89 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.099 179.245 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -68.97 -31.59 70.56 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.226 178.442 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.578 ' O ' HG22 ' A' ' 123' ' ' VAL . 16.5 mt -71.46 -41.57 69.24 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.581 179.296 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 12.8 mt -70.13 -34.6 59.89 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 O-C-N 123.349 0.406 . . . . 0.0 110.371 179.161 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -73.0 -30.87 64.11 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.622 179.213 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -75.95 -35.87 59.52 Favored 'General case' 0 N--CA 1.47 0.537 0 O-C-N 123.399 0.437 . . . . 0.0 111.727 179.575 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.578 HG22 ' O ' ' A' ' 119' ' ' LEU . 3.6 m -75.82 -33.57 26.08 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 O-C-N 123.216 0.322 . . . . 0.0 110.896 178.672 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 37.9 ttt180 -71.06 -39.84 71.99 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.059 178.678 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -74.2 -35.35 63.94 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.992 179.666 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.551 0 CA-C-N 116.04 -0.527 . . . . 0.0 112.182 -179.859 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 3.2 m . . . . . 0 N--CA 1.472 0.655 0 CA-C-O 120.581 0.229 . . . . 0.0 111.246 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 71.8 m -83.8 -18.03 39.06 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.95 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -95.52 -19.72 19.6 Favored 'General case' 0 N--CA 1.466 0.357 0 O-C-N 123.328 0.392 . . . . 0.0 111.938 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -89.37 -22.07 22.78 Favored 'General case' 0 N--CA 1.469 0.512 0 O-C-N 123.292 0.37 . . . . 0.0 111.859 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.7 m -71.3 -39.36 72.38 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 N-CA-C 112.584 0.587 . . . . 0.0 112.584 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -67.34 -40.47 91.8 Favored Glycine 0 C--N 1.341 0.845 0 CA-C-N 116.133 -0.485 . . . . 0.0 113.703 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -73.29 -38.83 65.75 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 122.54 0.336 . . . . 0.0 111.194 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.646 ' O ' HG12 ' A' ' 21' ' ' ILE . 96.6 mttt -70.83 -34.56 71.82 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.131 179.371 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 48.9 t -71.43 -37.14 71.48 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.548 178.713 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.562 ' O ' HG22 ' A' ' 23' ' ' VAL . 41.0 mt-10 -69.89 -31.32 69.08 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.889 178.631 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.32 -40.04 67.77 Favored 'General case' 0 C--N 1.348 0.505 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.483 178.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.646 HG12 ' O ' ' A' ' 17' ' ' LYS . 40.8 mm -72.4 -27.44 26.24 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.901 178.51 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -71.93 -44.01 47.78 Favored Glycine 0 C--N 1.348 1.227 0 CA-C-N 116.019 -0.537 . . . . 0.0 112.563 178.863 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.562 HG22 ' O ' ' A' ' 19' ' ' GLU . 3.1 m -71.09 -35.09 57.38 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 CA-C-O 120.614 0.245 . . . . 0.0 111.231 179.144 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.481 ' O ' ' HB2' ' A' ' 28' ' ' LEU . 96.9 mttt -71.49 -33.59 69.4 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.921 178.855 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.475 ' HB2' ' O ' ' A' ' 21' ' ' ILE . 2.7 tt -70.02 -40.96 74.89 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.999 179.249 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 13.8 mt -67.54 -42.24 83.03 Favored 'General case' 0 N--CA 1.475 0.819 0 O-C-N 123.317 0.386 . . . . 0.0 111.228 179.362 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 35.7 m80 -69.73 -31.39 69.36 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.072 178.828 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.481 ' HB2' ' O ' ' A' ' 24' ' ' LYS . 2.2 tp -74.44 -29.37 61.46 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.114 179.055 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.441 ' HG3' ' O ' ' A' ' 25' ' ' LEU . 43.8 mt-10 -73.74 -41.47 62.47 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.879 178.92 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -69.67 -36.85 76.38 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.922 178.703 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 18.7 mm-40 -74.18 -28.82 61.47 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.02 178.895 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.74 -38.46 67.41 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.108 179.165 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.459 ' O ' ' HD1' ' A' ' 37' ' ' TYR . 11.2 mt -71.0 -40.37 71.86 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.676 178.769 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -72.0 -27.2 70.86 Favored Glycine 0 C--N 1.343 0.96 0 CA-C-N 115.741 -0.663 . . . . 0.0 112.635 178.711 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -81.18 -30.09 34.46 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 122.721 0.408 . . . . 0.0 111.753 179.234 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 47.9 mtt -78.83 -36.27 42.81 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 116.251 -0.432 . . . . 0.0 112.164 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.459 ' HD1' ' O ' ' A' ' 33' ' ' LEU . 34.3 m-85 -81.1 -40.17 24.5 Favored 'General case' 0 N--CA 1.471 0.581 0 N-CA-C 112.149 0.426 . . . . 0.0 112.149 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 53.5 m -86.77 -20.74 27.17 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.979 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 69.9 m-70 62.52 113.05 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 123.847 0.859 . . . . 0.0 111.956 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -141.02 165.9 26.28 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.787 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -109.59 -39.72 5.07 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.465 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.85 -30.07 70.15 Favored 'General case' 0 N--CA 1.475 0.786 0 N-CA-C 112.898 0.703 . . . . 0.0 112.898 -179.747 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.1 mt -71.17 -28.72 64.45 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 112.411 0.523 . . . . 0.0 112.411 -179.56 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 32.9 m-85 -73.94 -36.02 64.61 Favored 'General case' 0 N--CA 1.472 0.642 0 O-C-N 123.283 0.364 . . . . 0.0 111.361 179.175 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 12.3 mm100 -71.64 -41.63 68.56 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.648 179.09 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 52.6 m -69.12 -32.35 71.67 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.875 178.461 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 5.8 tp -70.52 -37.1 74.06 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.191 179.117 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 12.2 mm100 -71.71 -39.95 69.83 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.565 179.708 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -71.67 -39.12 60.84 Favored Glycine 0 C--N 1.342 0.87 0 O-C-N 123.542 0.526 . . . . 0.0 113.011 179.468 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.509 ' O ' HG22 ' A' ' 54' ' ' VAL . 42.3 mt-10 -71.77 -35.68 70.14 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 122.741 0.417 . . . . 0.0 111.478 179.601 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.7 tp -72.44 -35.79 68.39 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.07 179.559 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -74.61 -30.66 61.75 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.253 179.077 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 16.5 p -75.14 -36.78 61.55 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.584 179.097 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.509 HG22 ' O ' ' A' ' 50' ' ' GLU . 13.3 m -74.74 -33.94 32.59 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 O-C-N 123.368 0.417 . . . . 0.0 110.878 178.878 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 54.6 tttt -71.37 -37.75 71.6 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.765 178.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -72.95 -33.81 66.12 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.038 178.855 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 12.1 p -75.08 -30.82 61.06 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.083 178.859 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.9 tt -73.16 -40.46 64.83 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.514 179.225 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -69.72 -38.98 77.11 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.913 178.862 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.467 ' O ' ' HB2' ' A' ' 64' ' ' GLN . . . -69.91 -30.75 68.24 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.161 178.852 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 3.1 mmm -71.19 -43.19 67.92 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.343 179.199 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.409 ' H ' HG13 ' A' ' 62' ' ' ILE . 2.1 pp -75.26 -24.55 17.58 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.641 179.582 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 2.9 tt -85.24 -24.44 27.79 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.159 179.051 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.467 ' HB2' ' O ' ' A' ' 60' ' ' ALA . 5.2 tt0 -89.01 -27.63 20.73 Favored 'General case' 0 CA--C 1.538 0.493 0 O-C-N 123.388 0.43 . . . . 0.0 111.609 179.792 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 21.0 mt . . . . . 0 N--CA 1.473 0.703 0 N-CA-C 112.334 0.494 . . . . 0.0 112.334 -179.993 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 . . . . . 0 N--CA 1.469 0.512 0 N-CA-C 111.85 0.315 . . . . 0.0 111.85 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -76.98 -31.45 56.53 Favored 'General case' 0 N--CA 1.471 0.61 0 O-C-N 123.424 0.453 . . . . 0.0 112.192 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 11.1 mt -86.3 -28.34 23.79 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.732 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -74.46 -38.58 62.9 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 122.687 0.395 . . . . 0.0 111.807 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -64.7 -39.69 94.09 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 122.792 0.437 . . . . 0.0 111.683 179.561 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.435 ' O ' ' HB2' ' A' ' 109' ' ' LEU . 97.1 mttt -78.07 -33.11 51.01 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.516 179.851 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -71.72 -40.15 69.63 Favored 'General case' 0 N--CA 1.469 0.512 0 O-C-N 123.318 0.386 . . . . 0.0 111.514 179.182 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -75.9 -34.8 59.96 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.793 179.427 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' SER . . . . . 0.432 ' O ' ' HG3' ' A' ' 112' ' ' GLU . 15.8 t -72.41 -36.79 68.72 Favored 'General case' 0 N--CA 1.471 0.606 0 O-C-N 123.349 0.405 . . . . 0.0 111.122 179.259 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.435 ' HB2' ' O ' ' A' ' 105' ' ' LYS . 1.1 tt -73.74 -37.61 65.02 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.79 179.383 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.446 ' O ' ' HG3' ' A' ' 114' ' ' GLN . . . -69.11 -34.01 74.39 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.788 178.572 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 111' ' ' LYS . . . . . 0.461 ' O ' ' HD2' ' A' ' 115' ' ' TYR . 23.7 tttm -73.03 -33.61 65.83 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.418 178.754 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.432 ' HG3' ' O ' ' A' ' 108' ' ' SER . 40.7 mt-10 -68.01 -36.9 80.75 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.988 178.442 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 27.2 mt -73.41 -33.2 39.56 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.954 178.244 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' GLN . . . . . 0.446 ' HG3' ' O ' ' A' ' 110' ' ' ALA . 53.7 mt-30 -65.22 -37.41 87.19 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.653 178.355 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 115' ' ' TYR . . . . . 0.461 ' HD2' ' O ' ' A' ' 111' ' ' LYS . 14.7 m-85 -73.56 -35.82 65.54 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.307 177.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.637 ' O ' HG12 ' A' ' 120' ' ' ILE . 10.0 tp -68.09 -41.02 82.48 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 115.419 -0.809 . . . . 0.0 110.724 178.834 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -69.54 -36.24 76.19 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.934 179.171 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -68.8 -33.64 74.2 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.941 178.665 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.571 ' O ' HG22 ' A' ' 123' ' ' VAL . 12.2 mt -71.16 -38.68 72.19 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.393 179.411 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 120' ' ' ILE . . . . . 0.637 HG12 ' O ' ' A' ' 116' ' ' LEU . 41.5 mm -69.28 -36.21 71.37 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 O-C-N 123.463 0.477 . . . . 0.0 110.121 178.606 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -72.91 -28.99 62.78 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.521 179.029 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -76.12 -36.86 58.66 Favored 'General case' 0 N--CA 1.471 0.595 0 O-C-N 123.35 0.406 . . . . 0.0 111.643 179.456 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.571 HG22 ' O ' ' A' ' 119' ' ' LEU . 3.3 m -75.32 -33.82 29.0 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.775 0 O-C-N 123.248 0.342 . . . . 0.0 110.965 178.727 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 34.2 ttt180 -71.31 -39.84 71.18 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.048 178.721 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -74.28 -34.28 63.5 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-N 116.04 -0.527 . . . . 0.0 112.162 179.748 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.506 0 N-CA-C 112.249 0.463 . . . . 0.0 112.249 -179.715 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 3.2 m . . . . . 0 N--CA 1.472 0.66 0 CA-C-O 120.434 0.159 . . . . 0.0 111.36 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 13.9 t -83.69 -16.87 43.34 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 115.993 -0.548 . . . . 0.0 111.97 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -96.26 -23.22 16.79 Favored 'General case' 0 N--CA 1.468 0.475 0 O-C-N 123.316 0.385 . . . . 0.0 111.928 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -86.72 -22.05 26.25 Favored 'General case' 0 N--CA 1.471 0.624 0 O-C-N 123.373 0.421 . . . . 0.0 111.863 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.4 m -74.67 -37.71 43.65 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 N-CA-C 112.523 0.564 . . . . 0.0 112.523 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -59.12 -39.74 94.79 Favored Glycine 0 C--N 1.342 0.871 0 CA-C-N 116.16 -0.473 . . . . 0.0 113.975 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -75.66 -36.4 60.14 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 122.446 0.298 . . . . 0.0 111.497 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.443 ' HD3' ' SD ' ' A' ' 61' ' ' MET . 97.2 mttt -73.21 -34.3 65.86 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.082 179.402 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.497 ' O ' HG22 ' A' ' 21' ' ' ILE . 87.4 m -74.11 -36.45 64.22 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.844 178.9 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.566 ' O ' HG22 ' A' ' 23' ' ' VAL . 36.6 mt-10 -70.06 -34.86 73.75 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.916 178.544 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.49 -38.52 68.13 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.351 179.137 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.497 HG22 ' O ' ' A' ' 18' ' ' CYS . 1.5 tp -71.92 -28.44 30.2 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.879 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.437 178.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.52 -43.48 44.51 Favored Glycine 0 C--N 1.348 1.228 0 CA-C-N 115.608 -0.724 . . . . 0.0 112.54 178.813 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.566 HG22 ' O ' ' A' ' 19' ' ' GLU . 2.7 m -70.23 -34.08 57.25 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 CA-C-O 120.685 0.279 . . . . 0.0 110.992 178.841 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.405 ' O ' ' HB2' ' A' ' 28' ' ' LEU . 95.0 mttt -71.1 -33.53 70.25 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.789 178.388 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 10.3 tp -69.78 -40.22 76.17 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.16 178.853 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 14.5 mt -68.29 -42.59 79.28 Favored 'General case' 0 N--CA 1.474 0.728 0 O-C-N 123.309 0.381 . . . . 0.0 111.604 179.625 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 43.0 m80 -69.69 -31.65 69.8 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.154 178.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.443 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 4.7 tp -74.74 -29.94 61.33 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.915 179.01 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.565 ' OE1' HD13 ' A' ' 113' ' ' ILE . 6.6 mm-40 -72.84 -41.1 65.18 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.978 179.123 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -69.8 -37.88 76.45 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.03 178.711 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -74.42 -27.18 60.51 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.519 179.084 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.443 ' HB2' ' O ' ' A' ' 28' ' ' LEU . 5.2 tt -73.92 -42.2 60.97 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.063 179.517 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 5.4 mt -72.53 -35.69 68.13 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.772 179.022 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -72.43 -31.04 63.72 Favored Glycine 0 C--N 1.343 0.963 0 CA-C-N 115.7 -0.682 . . . . 0.0 112.763 178.503 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -81.15 -30.19 34.52 Favored 'General case' 0 C--N 1.347 0.475 0 C-N-CA 122.603 0.361 . . . . 0.0 111.94 179.499 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 52.4 mtt -81.98 -30.08 31.82 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.975 179.756 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 10.7 t80 -81.15 -39.07 26.13 Favored 'General case' 0 N--CA 1.469 0.522 0 O-C-N 123.317 0.385 . . . . 0.0 111.343 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 52.4 m -86.49 -21.11 27.18 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.962 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 66.2 m80 61.56 110.29 0.02 OUTLIER 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 123.845 0.858 . . . . 0.0 111.897 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.404 ' CB ' HD12 ' A' ' 43' ' ' LEU . 6.7 m-20 -142.04 159.45 42.2 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.888 -179.806 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -97.89 -40.59 8.43 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.68 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.64 -36.36 82.39 Favored 'General case' 0 N--CA 1.475 0.794 0 N-CA-C 112.612 0.597 . . . . 0.0 112.612 -179.751 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.446 ' O ' ' HB2' ' A' ' 47' ' ' LEU . 7.0 mt -68.88 -28.3 66.57 Favored 'General case' 0 N--CA 1.472 0.625 0 CA-C-N 116.05 -0.523 . . . . 0.0 112.161 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 9.6 t80 -67.35 -41.07 85.78 Favored 'General case' 0 N--CA 1.472 0.656 0 O-C-N 123.263 0.352 . . . . 0.0 111.118 179.554 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -71.79 -38.82 70.23 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.549 178.779 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 53.2 m -69.19 -34.09 74.37 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.92 178.316 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.446 ' HB2' ' O ' ' A' ' 43' ' ' LEU . 3.7 tp -70.74 -35.96 72.91 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.298 179.16 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -71.14 -40.63 71.25 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.488 179.553 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -71.06 -39.19 63.38 Favored Glycine 0 C--N 1.344 1.016 0 CA-C-N 116.126 -0.488 . . . . 0.0 112.593 179.258 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.607 ' O ' HG23 ' A' ' 54' ' ' VAL . 42.3 mt-10 -70.54 -35.75 73.3 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 122.738 0.415 . . . . 0.0 111.049 179.231 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.417 ' HB2' ' O ' ' A' ' 47' ' ' LEU . 2.7 tt -70.35 -35.11 73.36 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.777 179.179 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -72.35 -33.51 67.33 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.292 178.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 18.9 p -73.79 -34.76 64.77 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.534 179.016 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.607 HG23 ' O ' ' A' ' 50' ' ' GLU . 87.7 t -73.63 -34.53 41.89 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.254 179.002 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 75.0 mttt -73.59 -35.02 65.35 Favored 'General case' 0 N--CA 1.471 0.583 0 O-C-N 123.354 0.409 . . . . 0.0 111.303 178.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -73.05 -34.13 66.1 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.292 178.862 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 18.2 p -73.48 -36.51 65.84 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.094 178.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.3 tt -70.61 -38.42 73.97 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.775 179.051 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.55 ' OE1' HD11 ' A' ' 62' ' ' ILE . 0.7 OUTLIER -69.6 -37.35 76.85 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.734 178.983 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.436 ' O ' ' HB2' ' A' ' 64' ' ' GLN . . . -69.85 -31.33 69.11 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.039 178.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' MET . . . . . 0.443 ' SD ' ' HD3' ' A' ' 17' ' ' LYS . 53.2 mmm -71.1 -44.55 65.43 Favored 'General case' 0 C--N 1.347 0.463 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.517 178.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.55 HD11 ' OE1' ' A' ' 59' ' ' GLN . 1.7 pt -75.56 -22.48 16.36 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 CA-C-N 116.177 -0.465 . . . . 0.0 112.023 179.539 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 2.7 tt -86.64 -26.1 24.54 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.149 179.341 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.436 ' HB2' ' O ' ' A' ' 60' ' ' ALA . 5.0 tt0 -88.21 -29.31 20.57 Favored 'General case' 0 N--CA 1.469 0.484 0 O-C-N 123.297 0.373 . . . . 0.0 111.578 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 18.5 mt . . . . . 0 N--CA 1.469 0.52 0 N-CA-C 111.982 0.364 . . . . 0.0 111.982 -180.0 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 . . . . . 0 N--CA 1.468 0.466 0 N-CA-C 112.1 0.407 . . . . 0.0 112.1 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -65.08 -36.04 83.04 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 112.908 0.707 . . . . 0.0 112.908 -179.311 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.452 ' H ' HD23 ' A' ' 102' ' ' LEU . 0.4 OUTLIER -86.39 -26.74 24.61 Favored 'General case' 0 N--CA 1.473 0.694 0 O-C-N 123.366 0.416 . . . . 0.0 111.888 179.851 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -72.27 -32.84 66.99 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 122.72 0.408 . . . . 0.0 111.852 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -64.71 -41.62 95.86 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 122.841 0.457 . . . . 0.0 111.824 179.569 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.447 ' O ' HD23 ' A' ' 109' ' ' LEU . 12.1 mptt -78.72 -33.35 46.82 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.581 179.81 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -71.57 -38.63 70.92 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.469 179.119 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' ASP . . . . . 0.442 ' OD2' ' HE3' ' A' ' 111' ' ' LYS . 2.6 t70 -75.87 -37.46 58.88 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.348 179.472 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 16.4 t -70.32 -39.17 74.92 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.072 179.358 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.447 HD23 ' O ' ' A' ' 105' ' ' LYS . 3.7 mm? -72.23 -36.46 69.12 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.109 179.332 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -68.94 -35.19 76.5 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.196 179.086 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' LYS . . . . . 0.442 ' HE3' ' OD2' ' A' ' 107' ' ' ASP . 95.7 mttt -74.85 -31.34 61.62 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.896 178.849 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -73.5 -32.76 64.45 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.529 178.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.565 HD13 ' OE1' ' A' ' 29' ' ' GLU . 21.7 mt -78.98 -33.09 15.77 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 178.721 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -68.77 -37.65 79.49 Favored 'General case' 0 N--CA 1.472 0.665 0 O-C-N 123.344 0.402 . . . . 0.0 110.353 178.129 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 13.2 t80 -74.13 -35.74 64.13 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.886 178.404 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 7.7 tp -67.97 -34.83 77.3 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.671 178.64 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 117' ' ' LYS . . . . . 0.517 ' O ' HG13 ' A' ' 120' ' ' ILE . 36.3 tttt -72.95 -39.25 66.36 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.762 179.326 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 118' ' ' ASP . . . . . 0.491 ' O ' ' HB2' ' A' ' 122' ' ' GLU . 18.0 m-20 -69.32 -29.26 67.05 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.209 177.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.569 ' O ' HG22 ' A' ' 123' ' ' VAL . 13.8 mt -72.62 -42.76 64.11 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.406 179.279 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 120' ' ' ILE . . . . . 0.517 HG13 ' O ' ' A' ' 117' ' ' LYS . 1.3 pp -70.15 -35.55 63.97 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 O-C-N 123.353 0.408 . . . . 0.0 111.034 178.856 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -73.07 -29.21 62.79 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.373 178.753 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 122' ' ' GLU . . . . . 0.491 ' HB2' ' O ' ' A' ' 118' ' ' ASP . 11.0 tt0 -75.79 -37.62 59.01 Favored 'General case' 0 C--N 1.348 0.515 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.354 179.778 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.569 HG22 ' O ' ' A' ' 119' ' ' LEU . 3.1 m -74.37 -33.16 32.91 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 O-C-N 123.3 0.375 . . . . 0.0 110.833 178.64 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 124' ' ' ARG . . . . . 0.405 HH21 ' HB3' ' A' ' 18' ' ' CYS . 47.3 mtt180 -70.57 -40.48 73.3 Favored 'General case' 0 C--N 1.348 0.512 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.254 178.348 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -74.44 -33.49 62.94 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 115.937 -0.574 . . . . 0.0 112.074 179.66 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.589 0 CA-C-N 116.071 -0.513 . . . . 0.0 112.318 -179.662 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.8 m . . . . . 0 N--CA 1.473 0.715 0 CA-C-O 120.432 0.158 . . . . 0.0 111.276 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 14.8 t -86.48 -12.84 47.82 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.763 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -97.36 -17.39 19.76 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.665 179.762 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -91.26 -22.04 20.79 Favored 'General case' 0 N--CA 1.47 0.536 0 O-C-N 123.37 0.419 . . . . 0.0 111.703 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.7 m -67.02 -39.04 82.51 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 N-CA-C 112.717 0.636 . . . . 0.0 112.717 -179.728 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -64.98 -41.4 97.33 Favored Glycine 0 C--N 1.342 0.91 0 O-C-N 123.459 0.474 . . . . 0.0 113.771 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -74.7 -34.66 62.67 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 122.521 0.329 . . . . 0.0 111.42 179.803 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -74.16 -33.87 63.63 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.919 179.118 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.404 ' HA ' HG22 ' A' ' 21' ' ' ILE . 38.0 t -72.24 -38.61 68.88 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.895 178.925 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -70.38 -37.24 74.5 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.488 179.138 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -71.91 -38.79 69.87 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.539 179.582 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.404 HG22 ' HA ' ' A' ' 18' ' ' CYS . 1.2 tt -71.85 -29.13 32.46 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.815 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.377 179.077 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -71.89 -41.36 55.63 Favored Glycine 0 C--N 1.349 1.269 0 CA-C-N 115.837 -0.62 . . . . 0.0 112.271 178.629 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 9.2 p -70.92 -32.09 47.51 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.873 0 CA-C-O 120.652 0.263 . . . . 0.0 110.547 178.871 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -70.54 -38.42 74.2 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 115.802 -0.636 . . . . 0.0 111.138 178.707 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.419 ' O ' ' HG3' ' A' ' 29' ' ' GLU . 21.5 mt -69.75 -38.47 76.82 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.543 179.414 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 13.3 mt -68.45 -38.36 81.07 Favored 'General case' 0 N--CA 1.471 0.601 0 O-C-N 123.271 0.357 . . . . 0.0 111.224 179.01 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 5.0 t-80 -69.45 -34.51 74.5 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.885 179.025 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.431 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 23.2 mt -74.76 -29.03 61.0 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.205 178.886 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.419 ' HG3' ' O ' ' A' ' 25' ' ' LEU . 40.9 mt-10 -71.18 -41.14 70.7 Favored 'General case' 0 C--N 1.348 0.509 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.755 178.856 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -69.73 -37.71 76.61 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.75 178.352 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -74.16 -24.24 59.37 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.137 178.839 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.476 ' O ' ' HB2' ' A' ' 36' ' ' MET . 3.3 tp -76.26 -40.41 51.94 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.695 179.255 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.453 ' O ' ' HD1' ' A' ' 37' ' ' TYR . 4.7 tp -70.3 -38.97 75.11 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.624 178.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -72.05 -34.07 61.95 Favored Glycine 0 C--N 1.343 0.97 0 CA-C-N 115.694 -0.685 . . . . 0.0 112.975 179.044 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -81.35 -23.3 37.84 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 112.271 0.471 . . . . 0.0 112.271 179.557 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.476 ' HB2' ' O ' ' A' ' 32' ' ' LEU . 7.9 ttt -83.2 -38.03 22.83 Favored 'General case' 0 N--CA 1.47 0.561 0 O-C-N 123.251 0.344 . . . . 0.0 111.767 -179.786 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.453 ' HD1' ' O ' ' A' ' 33' ' ' LEU . 34.7 m-85 -81.18 -35.93 30.8 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 112.271 0.471 . . . . 0.0 112.271 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 52.4 m -86.48 -20.24 28.37 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 112.1 0.407 . . . . 0.0 112.1 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 66.8 m80 62.01 112.23 0.02 OUTLIER 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 123.819 0.848 . . . . 0.0 111.859 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.4 ' CB ' HD12 ' A' ' 43' ' ' LEU . 3.4 t70 -140.4 176.18 8.99 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.54 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -120.36 -43.53 2.51 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.257 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.98 -36.19 81.64 Favored 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 112.942 0.719 . . . . 0.0 112.942 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.4 HD12 ' CB ' ' A' ' 40' ' ' ASP . 13.2 mt -69.63 -32.39 71.05 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 112.357 0.503 . . . . 0.0 112.357 -179.39 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -68.96 -32.09 71.43 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 122.419 0.287 . . . . 0.0 111.591 179.608 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -76.17 -40.95 51.23 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.235 178.612 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 16.7 t -69.1 -37.91 78.66 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.841 178.589 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 15.6 mt -70.74 -36.71 73.29 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.58 179.187 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -67.75 -40.82 84.07 Favored 'General case' 0 N--CA 1.472 0.63 0 O-C-N 123.515 0.509 . . . . 0.0 111.227 179.614 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -71.26 -36.63 63.53 Favored Glycine 0 C--N 1.342 0.887 0 CA-C-N 115.981 -0.554 . . . . 0.0 112.64 179.094 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.602 ' O ' HG23 ' A' ' 54' ' ' VAL . 42.5 mt-10 -71.8 -37.32 70.42 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 122.721 0.408 . . . . 0.0 111.177 179.344 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 20.5 mt -70.55 -34.82 72.67 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.103 179.138 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -71.74 -35.14 70.05 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.071 179.01 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 19.6 p -72.74 -35.05 67.43 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.716 179.226 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.602 HG23 ' O ' ' A' ' 50' ' ' GLU . 80.2 t -74.48 -33.89 34.23 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.279 178.863 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -71.93 -35.81 69.76 Favored 'General case' 0 N--CA 1.471 0.622 0 O-C-N 123.396 0.435 . . . . 0.0 111.216 179.116 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -72.83 -38.88 66.99 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.055 179.086 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 19.1 p -72.56 -31.2 65.07 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.024 178.838 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.449 ' HB2' ' O ' ' A' ' 54' ' ' VAL . 2.8 tt -71.87 -38.31 70.07 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.567 179.046 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -69.28 -38.61 78.43 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.881 178.755 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.9 -31.32 69.04 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.253 178.784 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 80.0 mtp -71.5 -41.72 68.93 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.577 179.187 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 2.1 pp -75.56 -26.58 18.35 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 O-C-N 123.379 0.424 . . . . 0.0 111.847 179.592 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.4 tp -83.1 -27.31 30.28 Favored 'General case' 0 CA--C 1.538 0.494 0 O-C-N 123.5 0.5 . . . . 0.0 111.269 179.442 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 -86.78 -30.63 21.42 Favored 'General case' 0 N--CA 1.468 0.47 0 O-C-N 123.346 0.404 . . . . 0.0 111.882 179.719 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 16.7 mt . . . . . 0 N--CA 1.468 0.452 0 O-C-N 123.216 0.322 . . . . 0.0 111.492 -179.761 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 . . . . . 0 N--CA 1.467 0.397 0 CA-C-O 120.336 0.112 . . . . 0.0 111.228 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -76.8 -29.63 56.09 Favored 'General case' 0 N--CA 1.47 0.551 0 O-C-N 123.52 0.512 . . . . 0.0 111.727 179.611 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 12.4 mt -82.95 -26.67 31.15 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.88 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -72.67 -34.82 67.49 Favored 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 112.165 0.431 . . . . 0.0 112.165 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -64.78 -44.24 90.64 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 122.807 0.443 . . . . 0.0 111.729 179.691 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.503 ' O ' HD23 ' A' ' 109' ' ' LEU . 58.7 mttp -75.84 -33.95 60.07 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.381 179.76 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -71.59 -34.93 70.32 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.573 179.182 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -75.88 -38.17 58.14 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.409 179.663 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 51.4 m -68.82 -40.63 79.41 Favored 'General case' 0 N--CA 1.471 0.603 0 O-C-N 123.3 0.375 . . . . 0.0 111.433 179.425 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.503 HD23 ' O ' ' A' ' 105' ' ' LYS . 4.3 mm? -73.02 -36.32 66.95 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.316 179.34 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.414 ' O ' ' HG3' ' A' ' 114' ' ' GLN . . . -68.46 -34.8 76.59 Favored 'General case' 0 N--CA 1.471 0.582 0 O-C-N 123.393 0.433 . . . . 0.0 111.294 179.27 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 111' ' ' LYS . . . . . 0.476 ' O ' ' HD1' ' A' ' 115' ' ' TYR . 21.7 mmtp -73.36 -35.95 66.05 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.795 178.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.48 ' O ' ' HB2' ' A' ' 116' ' ' LEU . 44.5 mt-10 -70.5 -31.2 68.2 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.288 178.872 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 29.0 mt -77.97 -32.89 17.84 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 178.435 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' GLN . . . . . 0.414 ' HG3' ' O ' ' A' ' 110' ' ' ALA . 53.1 mt-30 -67.24 -39.61 86.21 Favored 'General case' 0 N--CA 1.472 0.637 0 O-C-N 123.382 0.426 . . . . 0.0 110.82 178.556 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 115' ' ' TYR . . . . . 0.476 ' HD1' ' O ' ' A' ' 111' ' ' LYS . 23.4 m-85 -74.31 -35.82 63.68 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.03 178.139 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.628 ' O ' HG12 ' A' ' 120' ' ' ILE . 4.8 tp -68.05 -40.06 82.88 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 115.305 -0.861 . . . . 0.0 110.708 178.801 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -71.16 -33.46 70.03 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.813 179.027 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -68.67 -34.55 75.87 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.68 178.203 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 12.5 mt -72.03 -36.78 69.77 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.3 179.017 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 120' ' ' ILE . . . . . 0.628 HG12 ' O ' ' A' ' 116' ' ' LEU . 46.6 mm -69.67 -35.52 66.14 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 O-C-N 123.398 0.436 . . . . 0.0 110.18 178.384 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -72.89 -32.2 65.2 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.367 179.117 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -75.5 -33.02 60.73 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.557 179.468 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 10.0 p -76.93 -34.43 22.25 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.775 0 O-C-N 123.327 0.392 . . . . 0.0 110.45 178.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -71.06 -38.03 72.49 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.153 178.453 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 53.8 tttt -74.03 -38.24 64.09 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.637 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.489 0 CA-C-N 116.152 -0.476 . . . . 0.0 112.184 -179.923 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.6 m . . . . . 0 N--CA 1.474 0.728 0 CA-C-O 120.405 0.145 . . . . 0.0 111.27 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 14.9 t -89.54 -15.25 33.34 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.738 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -96.65 -14.45 22.12 Favored 'General case' 0 C--O 1.236 0.37 0 O-C-N 123.239 0.337 . . . . 0.0 111.826 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -93.04 -22.28 19.23 Favored 'General case' 0 N--CA 1.468 0.468 0 O-C-N 123.355 0.409 . . . . 0.0 111.848 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.7 m -66.04 -39.81 85.53 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.951 0 N-CA-C 112.789 0.663 . . . . 0.0 112.789 -179.648 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -70.68 -40.53 65.76 Favored Glycine 0 C--N 1.343 0.943 0 CA-C-N 116.185 -0.461 . . . . 0.0 113.389 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -73.58 -35.3 65.42 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 122.61 0.364 . . . . 0.0 111.581 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.669 ' O ' HG12 ' A' ' 21' ' ' ILE . 92.5 mttt -71.76 -36.62 70.44 Favored 'General case' 0 N--CA 1.469 0.521 0 O-C-N 123.476 0.485 . . . . 0.0 111.225 179.328 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 89.4 m -72.08 -36.86 69.63 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.008 179.099 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.559 ' O ' HG22 ' A' ' 23' ' ' VAL . 41.6 mt-10 -70.03 -34.3 73.09 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.464 178.923 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.81 -41.19 65.16 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.789 179.608 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.669 HG12 ' O ' ' A' ' 17' ' ' LYS . 32.2 mm -72.4 -27.19 25.63 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 N-CA-C 109.811 -0.441 . . . . 0.0 109.811 178.727 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -70.34 -44.95 57.48 Favored Glycine 0 C--N 1.348 1.25 0 O-C-N 123.594 0.559 . . . . 0.0 112.34 178.557 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.559 HG22 ' O ' ' A' ' 19' ' ' GLU . 3.1 m -71.31 -33.04 49.0 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 CA-C-O 120.665 0.269 . . . . 0.0 111.254 179.018 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.456 ' O ' ' HB2' ' A' ' 28' ' ' LEU . 96.6 mttt -73.57 -33.48 64.68 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.911 178.735 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.46 ' HB2' ' O ' ' A' ' 21' ' ' ILE . 4.8 tp -69.78 -40.64 75.92 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.9 178.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.6 mt -68.9 -40.47 79.11 Favored 'General case' 0 N--CA 1.473 0.686 0 O-C-N 123.392 0.433 . . . . 0.0 110.995 179.104 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 5.0 t-80 -70.11 -31.59 69.22 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.623 178.857 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.488 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 3.6 tp -74.86 -29.25 60.97 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.775 178.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.432 ' HG3' ' O ' ' A' ' 25' ' ' LEU . 41.2 mt-10 -72.74 -41.11 65.49 Favored 'General case' 0 N--CA 1.47 0.56 0 O-C-N 123.471 0.482 . . . . 0.0 110.829 178.823 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -69.35 -37.47 77.67 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.596 178.533 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -74.21 -26.2 60.12 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.965 178.581 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.488 ' HB2' ' O ' ' A' ' 28' ' ' LEU . 3.3 tt -72.49 -40.82 66.6 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.68 179.163 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.434 ' O ' ' HD2' ' A' ' 37' ' ' TYR . 4.9 tp -70.67 -39.9 73.28 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.439 178.831 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -72.04 -26.88 71.42 Favored Glycine 0 C--N 1.343 0.924 0 CA-C-N 115.713 -0.676 . . . . 0.0 112.949 178.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -81.15 -33.07 33.39 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 122.68 0.392 . . . . 0.0 111.993 179.572 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 47.8 mtt -79.91 -33.45 39.81 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 112.286 0.476 . . . . 0.0 112.286 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.434 ' HD2' ' O ' ' A' ' 33' ' ' LEU . 24.4 m-85 -81.17 -41.6 22.13 Favored 'General case' 0 N--CA 1.472 0.635 0 O-C-N 123.291 0.369 . . . . 0.0 111.886 179.719 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 14.1 t -86.81 -18.4 31.1 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.82 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 72.5 m-70 62.62 113.67 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 123.889 0.876 . . . . 0.0 111.876 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -140.97 167.96 20.93 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.88 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -114.95 -41.38 3.36 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.382 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.95 -30.56 70.72 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 112.826 0.676 . . . . 0.0 112.826 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.472 ' O ' ' HB2' ' A' ' 47' ' ' LEU . 3.6 mt -69.95 -28.48 65.6 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 112.594 0.591 . . . . 0.0 112.594 -179.675 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 45.3 m-85 -74.24 -35.79 63.86 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 122.41 0.284 . . . . 0.0 111.517 179.287 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 13.7 tt0 -72.14 -41.65 66.91 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.515 179.27 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 54.2 m -69.1 -33.71 73.93 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.052 178.675 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.472 ' HB2' ' O ' ' A' ' 43' ' ' LEU . 2.2 tt -70.75 -36.23 73.02 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.128 179.244 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 54.3 mt-30 -71.42 -38.98 71.37 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.403 179.513 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -71.32 -36.38 63.37 Favored Glycine 0 C--N 1.344 0.981 0 CA-C-N 116.059 -0.519 . . . . 0.0 112.62 179.181 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.554 ' O ' HG23 ' A' ' 54' ' ' VAL . 42.2 mt-10 -72.03 -35.97 69.52 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 122.717 0.407 . . . . 0.0 111.093 179.247 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.8 tp -71.32 -34.98 71.05 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.79 179.2 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 54.1 mt-30 -72.97 -33.01 65.6 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.22 178.899 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 19.6 p -74.52 -34.59 63.06 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.494 179.12 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.554 HG23 ' O ' ' A' ' 50' ' ' GLU . 97.3 t -74.83 -34.04 32.25 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 O-C-N 123.373 0.421 . . . . 0.0 110.271 178.884 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -72.69 -36.71 67.93 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.238 179.081 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -73.12 -36.01 66.64 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.259 179.07 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 18.4 p -74.06 -33.23 63.62 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.09 178.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.7 tp -71.85 -39.39 69.75 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.523 179.236 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.417 ' O ' HG13 ' A' ' 62' ' ' ILE . 47.1 mt-30 -69.76 -37.83 76.54 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.993 178.905 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.98 -31.04 68.53 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 115.723 -0.672 . . . . 0.0 111.236 178.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' MET . . . . . 0.524 ' O ' ' HB2' ' A' ' 65' ' ' LEU . 4.6 tmm? -72.1 -43.72 64.33 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.994 179.223 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.417 HG13 ' O ' ' A' ' 59' ' ' GLN . 1.4 pt -75.31 -22.64 16.7 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 O-C-N 123.355 0.409 . . . . 0.0 111.644 179.247 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.4 ' HB2' ' O ' ' A' ' 59' ' ' GLN . 4.9 tp -80.66 -32.78 35.98 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.47 178.821 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -88.82 -17.35 29.91 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.082 178.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.524 ' HB2' ' O ' ' A' ' 61' ' ' MET . 2.8 tt . . . . . 0 N--CA 1.47 0.561 0 C-N-CA 122.969 0.508 . . . . 0.0 111.455 179.506 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 . . . . . 0 N--CA 1.49 1.539 0 N-CA-C 112.809 0.67 . . . . 0.0 112.809 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -76.97 -30.42 55.97 Favored 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 112.211 0.449 . . . . 0.0 112.211 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 13.1 mt -86.28 -30.23 22.45 Favored 'General case' 0 N--CA 1.471 0.622 0 O-C-N 123.425 0.453 . . . . 0.0 111.597 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -74.14 -39.78 63.07 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 122.675 0.39 . . . . 0.0 111.723 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -64.68 -39.12 93.13 Favored 'General case' 0 N--CA 1.474 0.742 0 O-C-N 123.421 0.451 . . . . 0.0 111.659 179.507 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -76.11 -35.86 59.13 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.544 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -71.41 -38.29 71.45 Favored 'General case' 0 N--CA 1.47 0.552 0 O-C-N 123.473 0.483 . . . . 0.0 111.561 179.495 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -75.65 -33.46 60.46 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.624 179.384 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 57.9 m -71.66 -39.16 70.51 Favored 'General case' 0 N--CA 1.47 0.558 0 O-C-N 123.188 0.305 . . . . 0.0 111.227 179.306 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 21.7 mt -72.82 -37.59 67.44 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.206 179.344 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -69.47 -34.71 74.77 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.392 179.195 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' LYS . . . . . 0.462 ' O ' ' HD2' ' A' ' 115' ' ' TYR . 93.4 mttt -74.99 -32.24 61.62 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.902 179.018 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -73.25 -32.7 64.87 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.404 178.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 27.1 mt -78.62 -33.01 16.5 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 178.575 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -69.59 -36.69 76.46 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.809 178.565 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' TYR . . . . . 0.462 ' HD2' ' O ' ' A' ' 111' ' ' LYS . 9.5 m-85 -75.55 -35.89 60.56 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.25 177.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 9.8 tp -70.34 -39.46 74.68 Favored 'General case' 0 C--O 1.239 0.529 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.913 179.107 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 92.5 mttt -72.38 -36.07 68.62 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.806 179.181 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -69.26 -33.55 73.41 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.067 178.715 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.576 ' O ' HG23 ' A' ' 123' ' ' VAL . 17.7 mt -70.82 -43.71 68.02 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.381 179.549 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 120' ' ' ILE . . . . . 0.457 ' O ' ' HB2' ' A' ' 124' ' ' ARG . 1.9 pp -70.59 -30.75 43.78 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 O-C-N 123.222 0.326 . . . . 0.0 111.29 179.174 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -73.22 -33.06 65.13 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.452 178.593 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -73.78 -39.02 64.48 Favored 'General case' 0 N--CA 1.472 0.671 0 O-C-N 123.389 0.43 . . . . 0.0 111.501 179.64 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.576 HG23 ' O ' ' A' ' 119' ' ' LEU . 22.2 t -73.7 -34.74 42.01 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 CA-C-N 116.327 -0.397 . . . . 0.0 109.979 178.862 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 124' ' ' ARG . . . . . 0.457 ' HB2' ' O ' ' A' ' 120' ' ' ILE . 38.7 ttt180 -70.95 -40.39 72.04 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.203 179.048 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -74.2 -30.25 62.12 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.95 179.614 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.538 0 O-C-N 123.419 0.449 . . . . 0.0 112.089 179.974 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 10.0 m . . . . . 0 CA--C 1.542 0.671 0 CA-C-O 121.219 0.533 . . . . 0.0 111.185 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 15.2 t -128.07 -39.64 1.73 Allowed 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.4 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -92.71 -21.97 19.67 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 116.27 -0.423 . . . . 0.0 112.095 -179.741 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -91.55 -22.41 20.36 Favored 'General case' 0 N--CA 1.468 0.438 0 O-C-N 123.267 0.354 . . . . 0.0 111.865 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.0 m -77.49 -40.84 29.02 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 N-CA-C 112.367 0.506 . . . . 0.0 112.367 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.539 ' O ' ' HB2' ' A' ' 19' ' ' GLU . . . -68.77 -36.82 83.28 Favored Glycine 0 C--N 1.342 0.874 0 CA-C-N 116.187 -0.46 . . . . 0.0 113.847 -179.512 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -75.26 -39.59 59.66 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 122.468 0.307 . . . . 0.0 111.665 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.663 ' O ' HG12 ' A' ' 21' ' ' ILE . 66.6 mttm -71.24 -37.94 71.97 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.18 179.574 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 99.5 m -72.51 -33.11 66.68 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.665 178.799 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.563 ' O ' HG22 ' A' ' 23' ' ' VAL . 9.0 tt0 -69.93 -33.88 72.73 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.717 178.59 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.15 -39.97 68.37 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.475 178.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.663 HG12 ' O ' ' A' ' 17' ' ' LYS . 33.5 mm -71.94 -27.37 27.29 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.98 178.563 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.35 -44.38 42.71 Favored Glycine 0 C--N 1.346 1.087 0 CA-C-N 116.09 -0.504 . . . . 0.0 112.576 178.895 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.563 HG22 ' O ' ' A' ' 19' ' ' GLU . 3.0 m -71.16 -34.02 53.19 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 CA-C-O 120.652 0.263 . . . . 0.0 111.295 179.22 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.417 ' O ' ' HB2' ' A' ' 28' ' ' LEU . 96.8 mttt -72.62 -33.51 66.7 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.86 178.816 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.451 ' HB2' ' O ' ' A' ' 21' ' ' ILE . 4.5 tp -70.11 -39.96 75.17 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 123.01 0.524 . . . . 0.0 111.084 179.162 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.9 mt -69.32 -41.01 77.27 Favored 'General case' 0 N--CA 1.473 0.699 0 O-C-N 123.396 0.435 . . . . 0.0 111.334 179.351 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 32.2 m80 -70.91 -31.48 68.12 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.213 178.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.519 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 4.6 tp -74.83 -31.75 61.75 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.968 179.152 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -72.4 -40.74 66.97 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.943 179.16 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -69.7 -38.25 76.89 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.378 178.673 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -74.2 -24.38 59.34 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.215 178.713 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.534 ' O ' ' HB2' ' A' ' 36' ' ' MET . 2.4 tt -75.64 -39.67 57.42 Favored 'General case' 0 N--CA 1.471 0.599 0 O-C-N 123.49 0.494 . . . . 0.0 110.663 179.214 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.456 ' O ' ' HD1' ' A' ' 37' ' ' TYR . 5.6 tp -70.36 -40.75 73.87 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.39 178.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -70.27 -33.44 68.8 Favored Glycine 0 C--N 1.342 0.904 0 CA-C-N 115.616 -0.72 . . . . 0.0 112.663 179.112 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -81.3 -23.3 37.97 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 122.607 0.363 . . . . 0.0 111.725 179.274 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.534 ' HB2' ' O ' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -80.01 -34.89 38.05 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.759 179.853 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.456 ' HD1' ' O ' ' A' ' 33' ' ' LEU . 20.6 m-85 -79.51 -36.81 37.97 Favored 'General case' 0 N--CA 1.471 0.618 0 O-C-N 123.489 0.493 . . . . 0.0 112.055 179.722 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 80.4 p -86.49 -26.24 24.71 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 112.066 0.395 . . . . 0.0 112.066 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 71.3 m-70 63.79 111.64 0.03 OUTLIER 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 123.898 0.879 . . . . 0.0 111.789 -179.645 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -140.3 165.01 28.55 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.863 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -102.57 -40.71 6.53 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.553 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.78 -35.04 79.16 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 112.837 0.68 . . . . 0.0 112.837 -179.644 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.439 ' O ' ' HB2' ' A' ' 47' ' ' LEU . 4.0 mt -69.95 -28.43 65.56 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 112.371 0.508 . . . . 0.0 112.371 -179.607 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -73.78 -34.76 64.81 Favored 'General case' 0 N--CA 1.472 0.646 0 O-C-N 123.256 0.348 . . . . 0.0 111.421 179.165 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -72.54 -41.72 65.5 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.541 179.075 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 16.9 t -69.13 -32.27 71.53 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.744 178.414 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.439 ' HB2' ' O ' ' A' ' 43' ' ' LEU . 5.1 tp -70.65 -37.01 73.68 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.099 179.019 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 11.9 mm100 -71.17 -38.09 72.17 Favored 'General case' 0 N--CA 1.473 0.68 0 O-C-N 123.67 0.606 . . . . 0.0 111.354 179.376 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -71.53 -36.03 62.7 Favored Glycine 0 C--N 1.345 1.034 0 CA-C-N 115.936 -0.575 . . . . 0.0 112.718 179.044 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.592 ' O ' HG23 ' A' ' 54' ' ' VAL . 42.4 mt-10 -72.43 -35.86 68.44 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 122.734 0.414 . . . . 0.0 111.063 179.216 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.9 tt -70.4 -37.22 74.45 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.616 179.126 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -72.59 -31.28 65.08 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.119 179.032 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 17.5 p -75.03 -33.78 61.81 Favored 'General case' 0 N--CA 1.471 0.597 0 O-C-N 123.47 0.481 . . . . 0.0 111.51 179.047 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.592 HG23 ' O ' ' A' ' 50' ' ' GLU . 84.2 t -74.49 -35.01 37.38 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 O-C-N 123.333 0.396 . . . . 0.0 110.318 179.059 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 83.0 mttt -72.69 -37.21 67.94 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.282 178.802 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -72.89 -33.29 65.94 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.265 179.156 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 12.9 p -74.71 -33.95 62.49 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.094 178.789 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.8 tt -70.61 -39.39 73.79 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.413 179.027 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.506 ' O ' HG13 ' A' ' 62' ' ' ILE . 46.7 mt-30 -69.53 -38.2 77.42 Favored 'General case' 0 C--N 1.348 0.541 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.675 178.635 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.83 -28.56 65.8 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.245 178.798 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' MET . . . . . 0.52 ' O ' ' HB2' ' A' ' 65' ' ' LEU . 74.1 mtp -73.18 -43.11 61.93 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.281 178.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.506 HG13 ' O ' ' A' ' 59' ' ' GLN . 0.8 OUTLIER -74.1 -26.53 21.03 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 CA-C-N 116.131 -0.486 . . . . 0.0 112.006 179.805 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 22.8 mt -84.7 -28.83 26.07 Favored 'General case' 0 N--CA 1.468 0.459 0 O-C-N 123.355 0.409 . . . . 0.0 111.44 179.053 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -92.43 -14.2 28.92 Favored 'General case' 0 CA--C 1.536 0.431 0 O-C-N 123.378 0.424 . . . . 0.0 111.466 179.488 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.52 ' HB2' ' O ' ' A' ' 61' ' ' MET . 1.9 tt . . . . . 0 N--CA 1.475 0.785 0 C-N-CA 122.683 0.393 . . . . 0.0 111.645 179.751 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 . . . . . 0 N--CA 1.469 0.487 0 CA-C-O 120.444 0.164 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -76.76 -29.67 56.21 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 116.015 -0.538 . . . . 0.0 111.51 179.41 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 19.4 mt -84.34 -26.39 28.5 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.856 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -70.31 -35.86 73.93 Favored 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 112.131 0.419 . . . . 0.0 112.131 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -64.51 -43.13 95.07 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 122.658 0.383 . . . . 0.0 111.762 179.765 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -75.91 -33.62 59.9 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.523 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -71.67 -37.95 70.7 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.589 179.341 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -75.82 -34.42 60.13 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.707 179.431 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 71.2 m -71.2 -40.37 71.22 Favored 'General case' 0 N--CA 1.471 0.615 0 O-C-N 123.211 0.32 . . . . 0.0 111.305 179.302 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 22.3 mt -73.73 -35.33 65.05 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.333 179.361 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -70.99 -33.91 70.86 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.423 179.295 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 62.5 mttm -76.1 -32.94 59.46 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.849 178.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.519 ' O ' ' HB2' ' A' ' 116' ' ' LEU . 42.0 mt-10 -73.87 -32.38 63.6 Favored 'General case' 0 N--CA 1.471 0.586 0 O-C-N 123.579 0.55 . . . . 0.0 111.739 178.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 34.3 mt -80.07 -33.2 14.27 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 O-C-N 123.368 0.418 . . . . 0.0 110.243 178.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -70.66 -36.15 73.22 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-O 120.84 0.352 . . . . 0.0 110.088 177.898 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 11.9 t80 -74.22 -35.45 63.89 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 115.338 -0.846 . . . . 0.0 109.728 178.261 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.519 ' HB2' ' O ' ' A' ' 112' ' ' GLU . 1.7 tt -67.48 -36.22 80.69 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.82 178.691 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -72.1 -39.64 68.77 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.007 179.232 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 118' ' ' ASP . . . . . 0.529 ' O ' ' HB2' ' A' ' 122' ' ' GLU . 9.1 m-20 -69.38 -29.38 67.14 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.355 178.274 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.567 ' O ' HG22 ' A' ' 123' ' ' VAL . 18.6 mt -73.12 -42.81 62.51 Favored 'General case' 0 N--CA 1.47 0.534 0 O-C-N 123.399 0.437 . . . . 0.0 111.3 179.425 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 2.2 pp -70.71 -36.4 64.87 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 O-C-N 123.374 0.421 . . . . 0.0 111.196 179.264 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -73.13 -29.4 62.86 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.375 179.111 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 122' ' ' GLU . . . . . 0.529 ' HB2' ' O ' ' A' ' 118' ' ' ASP . 10.4 tt0 -76.08 -36.81 58.81 Favored 'General case' 0 C--N 1.347 0.475 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.418 179.833 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.567 HG22 ' O ' ' A' ' 119' ' ' LEU . 3.9 m -75.27 -33.47 28.3 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 O-C-N 123.275 0.359 . . . . 0.0 110.942 178.659 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 74.3 mtp180 -70.95 -39.64 72.47 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.158 178.659 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -74.33 -39.21 62.98 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.83 179.464 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.536 0 CA-C-N 116.028 -0.533 . . . . 0.0 112.29 -179.902 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 6.1 m . . . . . 0 N--CA 1.473 0.697 0 N-CA-C 112.089 0.403 . . . . 0.0 112.089 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 52.9 m -100.72 -26.14 13.89 Favored 'General case' 0 N--CA 1.466 0.353 0 O-C-N 123.418 0.449 . . . . 0.0 111.666 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -91.55 -23.24 19.98 Favored 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 112.211 0.448 . . . . 0.0 112.211 -179.604 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -86.2 -22.26 27.04 Favored 'General case' 0 N--CA 1.47 0.542 0 O-C-N 123.247 0.342 . . . . 0.0 111.888 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.8 m -77.17 -38.96 28.21 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 N-CA-C 112.416 0.524 . . . . 0.0 112.416 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -58.56 -35.31 79.84 Favored Glycine 0 C--N 1.342 0.907 0 CA-C-N 116.112 -0.495 . . . . 0.0 113.873 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -76.8 -31.91 57.28 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 122.471 0.308 . . . . 0.0 111.301 179.561 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -76.01 -34.13 59.7 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.023 179.207 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.508 ' O ' HG22 ' A' ' 21' ' ' ILE . 74.8 m -74.31 -38.41 63.34 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.754 178.796 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.59 ' O ' HG22 ' A' ' 23' ' ' VAL . 40.6 mt-10 -70.25 -36.1 74.25 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.233 178.732 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -73.83 -35.35 64.83 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.539 179.392 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.508 HG22 ' O ' ' A' ' 18' ' ' CYS . 1.1 tp -73.93 -28.21 23.64 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.831 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.402 178.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -73.82 -44.55 30.87 Favored Glycine 0 C--N 1.348 1.226 0 CA-C-N 115.664 -0.698 . . . . 0.0 112.511 178.78 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.59 HG22 ' O ' ' A' ' 19' ' ' GLU . 3.3 m -71.1 -33.28 50.72 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 CA-C-O 120.576 0.227 . . . . 0.0 111.105 179.085 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.47 ' O ' ' HB2' ' A' ' 28' ' ' LEU . 55.4 mttt -72.35 -34.7 68.2 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.075 178.626 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.475 ' HB2' ' O ' ' A' ' 21' ' ' ILE . 2.2 tt -70.05 -39.79 75.51 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.271 179.301 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.2 mt -70.07 -41.27 74.34 Favored 'General case' 0 N--CA 1.473 0.717 0 O-C-N 123.347 0.404 . . . . 0.0 111.614 179.615 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 21.4 m80 -71.13 -31.41 67.69 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.28 179.17 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.47 ' HB2' ' O ' ' A' ' 24' ' ' LYS . 1.8 tt -74.92 -32.29 61.76 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.89 179.232 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.406 ' HG3' ' O ' ' A' ' 25' ' ' LEU . 43.6 mt-10 -72.42 -39.83 67.6 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.936 178.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -69.72 -38.59 76.97 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.563 178.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 54.4 mt-30 -74.14 -25.81 59.96 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.181 178.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.43 ' HB2' ' O ' ' A' ' 28' ' ' LEU . 5.1 tt -74.68 -39.4 62.01 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.704 179.201 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.411 ' O ' ' HD2' ' A' ' 37' ' ' TYR . 4.8 tp -71.13 -39.64 71.9 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.567 179.03 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -72.26 -31.18 63.99 Favored Glycine 0 C--N 1.343 0.967 0 CA-C-N 115.695 -0.684 . . . . 0.0 113.152 179.073 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -81.18 -29.11 34.72 Favored 'General case' 0 N--CA 1.469 0.521 0 N-CA-C 112.337 0.495 . . . . 0.0 112.337 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 43.9 mtt -82.65 -34.75 27.38 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 112.371 0.508 . . . . 0.0 112.371 -179.694 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.411 ' HD2' ' O ' ' A' ' 33' ' ' LEU . 26.6 m-85 -81.21 -40.52 23.71 Favored 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 111.973 0.36 . . . . 0.0 111.973 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 14.4 t -86.76 -25.59 24.59 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.722 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 66.5 m80 62.5 110.34 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 123.775 0.83 . . . . 0.0 111.83 -179.753 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -142.29 160.28 40.57 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.955 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -95.82 -38.59 10.24 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.554 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.7 -37.87 85.61 Favored 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 112.465 0.542 . . . . 0.0 112.465 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.481 ' O ' ' HB2' ' A' ' 47' ' ' LEU . 8.5 mt -71.6 -28.3 63.71 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 116.034 -0.53 . . . . 0.0 112.228 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 12.5 t80 -70.22 -39.94 74.83 Favored 'General case' 0 N--CA 1.473 0.703 0 O-C-N 123.358 0.411 . . . . 0.0 110.931 179.401 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 54.8 mt-30 -71.51 -39.92 70.47 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.486 179.027 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 52.9 m -69.05 -33.7 74.01 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.992 178.524 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.481 ' HB2' ' O ' ' A' ' 43' ' ' LEU . 2.4 tt -70.79 -35.93 72.8 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.205 179.273 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -70.65 -41.2 72.44 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.385 179.366 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -71.42 -38.05 62.41 Favored Glycine 0 C--N 1.344 0.998 0 CA-C-N 115.931 -0.577 . . . . 0.0 112.566 179.186 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.612 ' O ' HG23 ' A' ' 54' ' ' VAL . 40.1 mt-10 -71.43 -35.85 71.08 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 122.681 0.392 . . . . 0.0 111.114 179.178 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.414 ' HB2' ' O ' ' A' ' 47' ' ' LEU . 2.6 tt -70.19 -35.77 74.16 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.719 179.159 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 -72.23 -33.67 67.73 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.977 179.13 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 19.1 p -73.83 -33.99 64.37 Favored 'General case' 0 N--CA 1.472 0.635 0 O-C-N 123.423 0.452 . . . . 0.0 111.648 179.055 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.612 HG23 ' O ' ' A' ' 50' ' ' GLU . 87.8 t -73.78 -34.78 41.58 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.866 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.289 179.005 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 75.2 mttt -73.68 -35.11 65.14 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.291 178.9 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -72.98 -33.97 66.16 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.251 178.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 17.4 p -73.38 -37.35 66.04 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.206 178.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.0 tp -71.14 -37.24 72.28 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.795 179.2 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.433 ' O ' HG13 ' A' ' 62' ' ' ILE . 53.2 mt-30 -69.62 -37.09 76.7 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.865 178.62 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.462 ' O ' ' HB2' ' A' ' 64' ' ' GLN . . . -69.89 -31.49 69.32 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.113 178.682 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 15.8 ttt -70.7 -44.29 67.23 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.954 179.06 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.433 HG13 ' O ' ' A' ' 59' ' ' GLN . 1.6 pt -75.53 -22.69 16.45 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 O-C-N 123.424 0.453 . . . . 0.0 111.87 179.426 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.8 tp -86.49 -24.76 25.46 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.064 179.324 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.462 ' HB2' ' O ' ' A' ' 60' ' ' ALA . 5.5 tt0 -87.36 -31.09 20.32 Favored 'General case' 0 N--CA 1.468 0.466 0 O-C-N 123.435 0.46 . . . . 0.0 111.391 179.608 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 17.5 mt . . . . . 0 N--CA 1.47 0.537 0 O-C-N 123.315 0.384 . . . . 0.0 111.607 179.799 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 . . . . . 0 N--CA 1.47 0.563 0 N-CA-C 111.958 0.355 . . . . 0.0 111.958 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -77.07 -30.56 55.57 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 112.37 0.507 . . . . 0.0 112.37 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 12.8 mt -86.24 -29.49 23.1 Favored 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 112.01 0.374 . . . . 0.0 112.01 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -75.16 -38.19 61.01 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 112.002 0.371 . . . . 0.0 112.002 -179.742 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -64.72 -41.17 96.18 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 122.811 0.444 . . . . 0.0 111.703 179.505 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 23.7 tptt -75.8 -36.77 59.62 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.218 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -71.03 -35.9 72.17 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.532 179.375 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' ASP . . . . . 0.501 ' OD2' ' HE3' ' A' ' 111' ' ' LYS . 2.2 t70 -75.8 -34.84 60.19 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.424 179.582 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 47.6 p -68.93 -44.18 73.59 Favored 'General case' 0 N--CA 1.471 0.622 0 O-C-N 123.29 0.369 . . . . 0.0 111.484 179.449 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 3.2 mp -73.55 -32.42 64.18 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.387 179.353 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.434 ' O ' ' HG3' ' A' ' 114' ' ' GLN . . . -68.03 -36.44 79.92 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 123.224 0.328 . . . . 0.0 110.94 178.606 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 111' ' ' LYS . . . . . 0.501 ' HE3' ' OD2' ' A' ' 107' ' ' ASP . 95.4 mttt -72.88 -35.18 67.11 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.491 178.474 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -67.93 -33.63 75.05 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.285 178.786 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 21.6 mt -77.14 -33.08 19.82 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 O-C-N 123.482 0.489 . . . . 0.0 109.747 178.534 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' GLN . . . . . 0.434 ' HG3' ' O ' ' A' ' 110' ' ' ALA . 53.6 mt-30 -65.26 -36.82 85.3 Favored 'General case' 0 N--CA 1.474 0.73 0 O-C-N 123.357 0.411 . . . . 0.0 110.425 178.141 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 115' ' ' TYR . . . . . 0.484 ' HD1' ' O ' ' A' ' 111' ' ' LYS . 17.8 m-85 -75.01 -35.61 61.97 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.004 177.768 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 2.0 tt -66.2 -38.86 89.02 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.86 178.67 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 117' ' ' LYS . . . . . 0.508 ' O ' HG13 ' A' ' 120' ' ' ILE . 95.2 mttt -72.75 -37.54 67.65 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.804 179.165 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -69.19 -32.02 71.03 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.983 178.507 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.583 ' O ' HG22 ' A' ' 123' ' ' VAL . 14.1 mt -71.77 -43.22 66.11 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.327 179.722 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 120' ' ' ILE . . . . . 0.508 HG13 ' O ' ' A' ' 117' ' ' LYS . 0.8 OUTLIER -69.81 -33.25 55.19 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.296 178.92 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -72.93 -32.11 65.06 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.427 178.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -73.28 -38.24 65.97 Favored 'General case' 0 N--CA 1.47 0.558 0 O-C-N 123.441 0.463 . . . . 0.0 111.685 179.548 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.583 HG22 ' O ' ' A' ' 119' ' ' LEU . 2.7 m -74.01 -33.98 37.68 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 O-C-N 123.315 0.385 . . . . 0.0 111.069 178.666 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -70.56 -36.37 73.6 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.203 178.642 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -74.14 -36.55 64.14 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.287 179.04 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.602 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.987 179.528 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 5.4 m . . . . . 0 N--CA 1.472 0.673 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 50.2 m -94.03 -14.4 25.87 Favored 'General case' 0 N--CA 1.466 0.372 0 O-C-N 123.425 0.453 . . . . 0.0 111.867 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -94.86 -22.14 18.22 Favored 'General case' 0 N--CA 1.467 0.421 0 N-CA-C 112.117 0.414 . . . . 0.0 112.117 -179.709 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -87.03 -22.03 25.73 Favored 'General case' 0 N--CA 1.472 0.667 0 O-C-N 123.331 0.394 . . . . 0.0 111.961 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.7 m -71.09 -39.1 73.85 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 N-CA-C 112.589 0.589 . . . . 0.0 112.589 -179.707 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -60.53 -40.13 97.36 Favored Glycine 0 C--N 1.343 0.946 0 O-C-N 123.484 0.49 . . . . 0.0 113.823 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -75.02 -35.05 61.98 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 122.485 0.314 . . . . 0.0 111.468 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 60.2 mttp -73.89 -34.13 64.3 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.014 179.162 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.404 ' O ' HG22 ' A' ' 21' ' ' ILE . 94.0 m -72.79 -37.95 67.4 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.877 178.878 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.566 ' O ' HG22 ' A' ' 23' ' ' VAL . 41.3 mt-10 -70.18 -36.66 74.81 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.374 179.034 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.34 -38.38 68.62 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.6 179.555 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.404 HG22 ' O ' ' A' ' 18' ' ' CYS . 2.2 tp -72.81 -27.82 25.92 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.815 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.459 178.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -73.05 -42.55 43.81 Favored Glycine 0 C--N 1.348 1.245 0 CA-C-N 115.695 -0.684 . . . . 0.0 112.332 178.829 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.566 HG22 ' O ' ' A' ' 19' ' ' GLU . 2.8 m -71.18 -34.14 53.47 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 CA-C-O 120.698 0.285 . . . . 0.0 111.18 178.895 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -71.48 -35.02 70.67 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.909 178.645 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.7 tt -69.95 -39.23 76.18 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.097 179.072 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 13.5 mt -69.03 -39.98 78.91 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.429 179.406 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 28.6 m80 -70.69 -31.69 68.66 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.02 178.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.444 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 0.6 OUTLIER -74.86 -30.48 61.35 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.064 178.907 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -73.11 -41.09 64.4 Favored 'General case' 0 N--CA 1.471 0.575 0 O-C-N 123.541 0.526 . . . . 0.0 110.694 179.15 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -69.9 -37.12 75.9 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.082 178.857 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 53.9 mt-30 -74.32 -28.64 61.25 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.244 179.043 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.444 ' HB2' ' O ' ' A' ' 28' ' ' LEU . 3.6 tt -72.89 -40.31 65.66 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.906 179.271 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.457 ' O ' ' HD2' ' A' ' 37' ' ' TYR . 4.8 tp -71.16 -39.12 72.11 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.52 178.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -71.96 -28.27 68.95 Favored Glycine 0 C--N 1.343 0.971 0 CA-C-N 115.744 -0.662 . . . . 0.0 112.794 179.025 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -80.99 -30.52 35.02 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 122.709 0.404 . . . . 0.0 111.826 179.199 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 39.6 mtt -78.83 -34.89 44.82 Favored 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 112.117 0.414 . . . . 0.0 112.117 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.457 ' HD2' ' O ' ' A' ' 33' ' ' LEU . 26.4 m-85 -81.08 -35.34 31.85 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 112.003 0.371 . . . . 0.0 112.003 179.802 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 14.4 t -86.55 -27.76 23.76 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.657 179.782 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 74.3 m-70 62.86 110.72 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 123.954 0.902 . . . . 0.0 112.01 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -142.46 162.72 34.74 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.588 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -95.71 -41.35 8.92 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.762 -179.691 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.88 -29.0 68.79 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 112.797 0.666 . . . . 0.0 112.797 -179.662 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -67.29 -28.95 68.43 Favored 'General case' 0 N--CA 1.472 0.651 0 N-CA-C 112.506 0.558 . . . . 0.0 112.506 -179.471 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 27.8 m-85 -68.69 -37.47 79.58 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 122.26 0.224 . . . . 0.0 111.527 179.55 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -72.82 -40.05 66.13 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.378 178.772 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 52.5 m -69.23 -38.73 78.66 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.475 178.677 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.421 ' O ' ' HB2' ' A' ' 51' ' ' LEU . 17.3 mt -70.79 -34.1 71.42 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 116.015 -0.539 . . . . 0.0 112.108 179.515 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -72.96 -40.37 65.41 Favored 'General case' 0 N--CA 1.472 0.669 0 O-C-N 123.314 0.384 . . . . 0.0 111.734 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -71.6 -38.06 61.71 Favored Glycine 0 C--N 1.342 0.891 0 CA-C-N 116.169 -0.469 . . . . 0.0 112.889 179.375 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -73.3 -35.5 66.12 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 122.872 0.469 . . . . 0.0 111.488 179.739 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.421 ' HB2' ' O ' ' A' ' 47' ' ' LEU . 4.0 tp -72.86 -36.05 67.33 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.455 179.563 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -74.19 -33.79 63.54 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.175 179.27 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 17.8 p -74.99 -33.99 61.92 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.475 179.036 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.408 HG12 ' HA ' ' A' ' 51' ' ' LEU . 8.3 p -75.0 -34.04 31.13 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.811 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.718 179.358 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 63.6 mttm -73.7 -36.44 65.25 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.063 178.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -73.19 -33.35 65.36 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.223 178.804 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 10.7 p -74.03 -35.54 64.35 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.336 178.815 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.596 ' O ' HG12 ' A' ' 62' ' ' ILE . 5.8 tp -71.68 -39.27 70.35 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.661 179.185 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.485 ' O ' ' HB2' ' A' ' 63' ' ' LEU . 47.3 mt-30 -69.6 -37.2 76.8 Favored 'General case' 0 C--N 1.348 0.519 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.791 178.816 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.523 ' O ' ' HG2' ' A' ' 64' ' ' GLN . . . -68.45 -32.99 73.4 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.911 178.794 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 82.1 mtp -68.4 -46.42 70.02 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.262 178.848 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.596 HG12 ' O ' ' A' ' 58' ' ' LEU . 11.8 mm -75.38 -18.16 15.9 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.88 179.553 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.485 ' HB2' ' O ' ' A' ' 59' ' ' GLN . 2.4 tt -82.4 -33.75 28.58 Favored 'General case' 0 N--CA 1.469 0.506 0 O-C-N 123.231 0.332 . . . . 0.0 111.53 179.495 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.523 ' HG2' ' O ' ' A' ' 60' ' ' ALA . 11.3 pt20 -87.74 -29.25 21.21 Favored 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 21.4 mt . . . . . 0 N--CA 1.471 0.602 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 -179.831 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 . . . . . 0 N--CA 1.468 0.453 0 N-CA-C 111.468 0.173 . . . . 0.0 111.468 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -76.62 -30.02 56.72 Favored 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 112.287 0.476 . . . . 0.0 112.287 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 13.8 mt -86.2 -29.63 23.04 Favored 'General case' 0 N--CA 1.469 0.487 0 O-C-N 123.343 0.402 . . . . 0.0 111.755 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -75.11 -40.74 59.71 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 122.633 0.373 . . . . 0.0 111.622 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -64.63 -38.4 90.88 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.669 179.447 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -76.71 -35.78 57.63 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.521 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -69.58 -37.8 77.11 Favored 'General case' 0 N--CA 1.47 0.572 0 O-C-N 123.381 0.425 . . . . 0.0 111.601 179.485 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -75.7 -37.45 59.46 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.448 179.423 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' SER . . . . . 0.484 ' O ' ' HG2' ' A' ' 112' ' ' GLU . 73.0 m -69.28 -40.02 78.0 Favored 'General case' 0 N--CA 1.472 0.643 0 O-C-N 123.278 0.361 . . . . 0.0 111.128 179.127 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 24.6 mt -70.21 -38.82 75.36 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.044 179.282 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -71.07 -30.15 66.22 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.902 179.663 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -74.38 -38.89 63.03 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.472 179.464 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.484 ' HG2' ' O ' ' A' ' 108' ' ' SER . 7.7 pt-20 -73.6 -31.09 63.38 Favored 'General case' 0 N--CA 1.476 0.847 0 O-C-N 123.3 0.375 . . . . 0.0 111.657 178.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 48.4 mt -77.04 -33.1 20.08 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 O-C-N 123.207 0.317 . . . . 0.0 110.477 178.651 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -71.25 -40.12 71.19 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-O 120.801 0.334 . . . . 0.0 110.467 178.505 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 11.8 t80 -70.02 -35.79 74.59 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.024 178.441 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.671 ' O ' HG12 ' A' ' 120' ' ' ILE . 10.3 tp -65.19 -40.53 94.35 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.523 178.639 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -66.56 -38.52 87.28 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.012 179.105 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -68.6 -30.88 69.71 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.122 178.594 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 14.9 mt -73.69 -34.27 64.79 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.483 179.094 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 120' ' ' ILE . . . . . 0.671 HG12 ' O ' ' A' ' 116' ' ' LEU . 30.0 mm -72.44 -37.36 57.3 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.301 178.774 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -72.81 -32.64 65.68 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.423 179.288 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -75.89 -33.67 59.94 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.553 179.267 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.405 HG12 ' O ' ' A' ' 120' ' ' ILE . 9.9 p -75.16 -34.95 32.87 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.785 0 O-C-N 123.302 0.376 . . . . 0.0 110.523 179.085 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -71.2 -39.84 71.55 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.109 178.565 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 58.7 mttp -74.22 -30.32 62.13 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.908 179.475 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.549 0 CA-C-N 116.267 -0.424 . . . . 0.0 112.118 -179.915 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.435 ' O ' HG13 ' A' ' 14' ' ' VAL . 2.9 m . . . . . 0 N--CA 1.473 0.691 0 CA-C-O 120.532 0.206 . . . . 0.0 111.011 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 58.1 m -85.92 -14.9 43.38 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.837 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -98.03 -20.42 17.4 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.65 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -89.61 -22.07 22.5 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.864 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.435 HG13 ' O ' ' A' ' 10' ' ' VAL . 2.9 m -64.75 -39.82 86.93 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 N-CA-C 112.814 0.672 . . . . 0.0 112.814 -179.828 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -62.23 -39.87 98.26 Favored Glycine 0 C--N 1.342 0.87 0 O-C-N 123.519 0.512 . . . . 0.0 113.485 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -76.59 -31.5 57.52 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 122.602 0.361 . . . . 0.0 111.255 179.68 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -75.67 -34.25 60.45 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.046 179.305 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.418 ' HA ' HG22 ' A' ' 21' ' ' ILE . 98.0 m -74.49 -38.42 62.89 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.646 178.82 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.567 ' O ' HG22 ' A' ' 23' ' ' VAL . 41.9 mt-10 -70.29 -35.37 73.67 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.39 178.901 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.37 -40.53 67.22 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.427 179.398 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.418 HG22 ' HA ' ' A' ' 18' ' ' CYS . 1.1 tt -71.33 -27.64 29.71 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.847 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.389 178.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.1 -43.72 47.25 Favored Glycine 0 C--N 1.348 1.199 0 CA-C-N 115.712 -0.676 . . . . 0.0 112.241 178.646 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.567 HG22 ' O ' ' A' ' 19' ' ' GLU . 2.8 m -71.23 -30.46 40.42 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 CA-C-O 120.631 0.253 . . . . 0.0 111.28 178.796 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -72.89 -36.26 67.3 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.843 178.5 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.8 tp -70.22 -39.44 75.11 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.218 179.339 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.3 mt -70.79 -38.61 73.38 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.391 179.508 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 9.9 t-80 -72.36 -31.8 65.92 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.776 179.119 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.467 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 5.0 tp -74.72 -31.83 61.96 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.752 179.059 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -73.87 -36.68 64.85 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.765 178.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -69.67 -39.98 76.67 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.454 178.68 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 52.7 mt-30 -74.15 -27.2 60.72 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.021 178.873 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.467 ' HB2' ' O ' ' A' ' 28' ' ' LEU . 3.7 tt -72.12 -39.62 68.71 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.788 179.275 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.437 ' O ' ' HD1' ' A' ' 37' ' ' TYR . 4.8 tp -71.59 -39.8 70.32 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.415 178.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -71.98 -26.54 72.29 Favored Glycine 0 C--N 1.344 1.004 0 CA-C-N 115.71 -0.677 . . . . 0.0 112.792 178.883 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -81.09 -33.04 33.62 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 122.721 0.408 . . . . 0.0 111.907 179.334 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 47.8 mtt -78.98 -33.79 44.76 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 112.372 0.508 . . . . 0.0 112.372 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.437 ' HD1' ' O ' ' A' ' 33' ' ' LEU . 25.8 m-85 -81.13 -39.26 25.88 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 111.931 0.345 . . . . 0.0 111.931 179.776 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 53.2 m -86.74 -21.63 26.46 Favored 'General case' 0 N--CA 1.47 0.568 0 O-C-N 123.403 0.439 . . . . 0.0 111.865 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 72.3 m-70 62.06 111.63 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 123.926 0.89 . . . . 0.0 111.907 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.405 ' CB ' HD12 ' A' ' 43' ' ' LEU . 7.7 m-20 -142.62 164.41 30.18 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.792 -179.809 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -106.94 -40.03 5.59 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.398 179.805 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.85 -31.51 72.18 Favored 'General case' 0 N--CA 1.473 0.717 0 N-CA-C 112.842 0.682 . . . . 0.0 112.842 -179.72 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.405 HD12 ' CB ' ' A' ' 40' ' ' ASP . 2.5 mt -67.06 -28.58 68.32 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 112.43 0.53 . . . . 0.0 112.43 -179.636 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -68.86 -37.48 79.12 Favored 'General case' 0 N--CA 1.474 0.746 0 O-C-N 123.134 0.271 . . . . 0.0 111.213 178.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -72.41 -38.11 68.48 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.531 178.893 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 16.4 t -68.89 -36.88 78.58 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 115.701 -0.682 . . . . 0.0 110.865 178.538 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.418 ' O ' ' HB2' ' A' ' 51' ' ' LEU . 17.5 mt -70.7 -33.8 71.27 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.594 178.752 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -70.37 -40.55 73.94 Favored 'General case' 0 N--CA 1.474 0.755 0 O-C-N 123.5 0.5 . . . . 0.0 111.391 179.381 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -70.46 -39.69 69.02 Favored Glycine 0 C--N 1.344 1.006 0 CA-C-N 116.073 -0.512 . . . . 0.0 112.345 179.036 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.608 ' O ' HG23 ' A' ' 54' ' ' VAL . 43.7 mt-10 -69.52 -35.63 75.67 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 122.753 0.421 . . . . 0.0 110.847 179.03 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.418 ' HB2' ' O ' ' A' ' 47' ' ' LEU . 2.4 tp -70.06 -34.95 73.86 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.838 179.128 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 19.1 mm-40 -71.86 -33.75 68.67 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.361 179.017 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 19.5 p -73.56 -36.03 65.55 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.54 179.003 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.608 HG23 ' O ' ' A' ' 50' ' ' GLU . 57.5 t -73.17 -34.33 44.4 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.185 178.877 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 64.7 mttm -72.9 -34.5 66.69 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.827 178.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -73.02 -33.46 65.76 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.96 178.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 19.2 p -73.03 -37.06 67.03 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.189 179.016 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 17.5 mt -70.74 -38.06 73.49 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.884 178.825 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -69.29 -36.9 77.52 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.748 178.82 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -70.2 -32.18 69.98 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.092 178.801 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 87.1 mtp -70.76 -40.89 72.4 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.482 179.122 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 3.0 tp -75.28 -27.22 19.3 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.861 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.244 179.278 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.8 tp -83.49 -24.42 31.75 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.4 179.537 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -89.52 -29.38 18.98 Favored 'General case' 0 N--CA 1.469 0.495 0 O-C-N 123.348 0.405 . . . . 0.0 111.766 179.768 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 20.3 mt . . . . . 0 N--CA 1.471 0.585 0 O-C-N 123.188 0.305 . . . . 0.0 111.517 179.913 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 . . . . . 0 N--CA 1.467 0.396 0 CA-C-O 120.389 0.138 . . . . 0.0 111.238 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -76.9 -29.6 55.82 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.867 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 23.5 mt -84.57 -26.65 27.83 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.744 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -72.46 -37.61 68.48 Favored 'General case' 0 N--CA 1.473 0.681 0 O-C-N 123.266 0.354 . . . . 0.0 111.87 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -64.66 -39.68 94.1 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.643 179.66 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.434 ' O ' ' HB2' ' A' ' 109' ' ' LEU . 97.1 mttt -78.32 -31.63 48.88 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.516 179.777 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -71.55 -40.85 69.74 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.514 179.224 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -75.92 -36.01 59.56 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.778 179.63 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' SER . . . . . 0.416 ' O ' ' HG3' ' A' ' 112' ' ' GLU . 17.1 t -70.54 -42.11 71.64 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 123.295 0.372 . . . . 0.0 111.087 179.435 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.434 ' HB2' ' O ' ' A' ' 105' ' ' LYS . 5.0 mp -71.94 -33.78 68.51 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.321 179.287 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -70.86 -33.75 70.95 Favored 'General case' 0 N--CA 1.471 0.602 0 O-C-N 123.344 0.402 . . . . 0.0 110.88 178.583 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' LYS . . . . . 0.457 ' O ' ' HB2' ' A' ' 115' ' ' TYR . 63.8 mttm -75.12 -29.75 60.66 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.699 178.504 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.416 ' HG3' ' O ' ' A' ' 108' ' ' SER . 45.9 mt-10 -72.32 -39.3 68.32 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.4 178.764 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 13.2 mt -73.05 -37.25 52.84 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.078 179.051 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 53.6 mt-30 -70.56 -32.54 69.99 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.863 178.631 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' TYR . . . . . 0.457 ' HB2' ' O ' ' A' ' 111' ' ' LYS . 10.6 t80 -72.33 -36.46 68.84 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.831 179.117 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 13.7 mt -69.42 -37.91 77.65 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.016 178.659 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -68.41 -39.22 81.71 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.947 178.822 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -68.94 -32.2 71.62 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.134 178.537 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.577 ' O ' HG22 ' A' ' 123' ' ' VAL . 14.4 mt -70.57 -39.21 74.04 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.652 179.307 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 14.3 mt -70.56 -36.47 65.94 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.202 178.9 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 121' ' ' GLU . . . . . 0.411 ' O ' ' HB2' ' A' ' 125' ' ' LYS . 42.8 mt-10 -72.95 -28.01 62.17 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.516 178.824 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -76.13 -38.42 56.82 Favored 'General case' 0 N--CA 1.469 0.503 0 O-C-N 123.393 0.433 . . . . 0.0 111.538 179.307 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.577 HG22 ' O ' ' A' ' 119' ' ' LEU . 2.6 m -72.59 -36.29 53.26 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 O-C-N 123.355 0.409 . . . . 0.0 111.002 178.769 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -70.39 -39.08 74.73 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.652 178.696 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 125' ' ' LYS . . . . . 0.411 ' HB2' ' O ' ' A' ' 121' ' ' GLU . 54.9 tttt -74.44 -25.81 59.66 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.276 178.796 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.496 0 CA-C-N 116.105 -0.498 . . . . 0.0 112.277 -179.846 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 3.6 m . . . . . 0 N--CA 1.47 0.538 0 CA-C-O 121.333 0.587 . . . . 0.0 111.574 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 49.4 m -143.62 -43.87 0.28 Allowed 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.867 179.703 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -97.84 -12.18 22.45 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.691 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -87.73 -22.65 24.47 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 122.601 0.36 . . . . 0.0 111.748 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.4 t -77.43 -22.74 14.29 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 C-N-CA 122.713 0.405 . . . . 0.0 111.336 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -73.36 -44.22 35.01 Favored Glycine 0 C--N 1.345 1.041 0 CA-C-N 116.505 -0.316 . . . . 0.0 113.245 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -74.48 -32.14 62.45 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 122.576 0.35 . . . . 0.0 111.445 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.649 ' O ' HG12 ' A' ' 21' ' ' ILE . 97.0 mttt -72.37 -39.41 68.06 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.131 179.532 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 83.8 m -71.72 -36.87 70.64 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.948 178.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.566 ' O ' HG22 ' A' ' 23' ' ' VAL . 40.0 mt-10 -70.1 -31.71 69.41 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.141 178.86 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -73.09 -41.64 63.85 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.55 179.263 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.649 HG12 ' O ' ' A' ' 17' ' ' LYS . 39.3 mm -71.41 -27.37 28.65 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.898 178.63 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -71.12 -45.42 49.97 Favored Glycine 0 C--N 1.348 1.197 0 CA-C-N 115.924 -0.58 . . . . 0.0 112.436 178.651 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.566 HG22 ' O ' ' A' ' 19' ' ' GLU . 3.7 m -71.44 -30.63 40.12 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 CA-C-O 120.585 0.231 . . . . 0.0 111.547 179.054 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.448 ' O ' ' HB2' ' A' ' 28' ' ' LEU . 96.3 mttt -74.65 -34.13 62.66 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.959 178.784 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.408 ' HB2' ' O ' ' A' ' 21' ' ' ILE . 2.3 tt -70.12 -41.95 73.27 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 115.921 -0.582 . . . . 0.0 111.0 179.086 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.9 mt -69.82 -38.32 76.52 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.011 179.151 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 9.2 t-80 -71.41 -31.52 67.34 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.748 179.038 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.505 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 4.9 tp -74.92 -30.47 61.26 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.857 178.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -72.87 -41.02 65.17 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.091 178.663 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -69.89 -37.4 76.02 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.129 178.738 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -74.33 -29.87 61.79 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.527 179.189 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.505 ' HB2' ' O ' ' A' ' 28' ' ' LEU . 2.0 tt -73.57 -39.88 64.32 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.087 179.728 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.1 tt -71.61 -39.21 70.62 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.456 179.129 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -72.35 -28.16 68.43 Favored Glycine 0 C--N 1.344 1.014 0 CA-C-N 115.605 -0.725 . . . . 0.0 112.875 178.808 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -80.89 -31.04 35.37 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 122.586 0.354 . . . . 0.0 111.833 179.325 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 82.6 mtp -80.4 -32.18 37.56 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.653 179.703 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 10.4 t80 -81.27 -41.47 22.12 Favored 'General case' 0 N--CA 1.47 0.554 0 O-C-N 123.399 0.437 . . . . 0.0 111.411 179.766 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 53.7 m -86.72 -24.77 25.04 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 116.152 -0.476 . . . . 0.0 112.003 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 70.3 m-70 63.34 110.03 0.03 OUTLIER 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 123.805 0.842 . . . . 0.0 111.933 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -141.12 163.5 32.8 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.775 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -99.69 -40.43 7.77 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.421 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.73 -28.95 68.83 Favored 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 112.848 0.684 . . . . 0.0 112.848 -179.608 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.444 ' O ' ' HB2' ' A' ' 47' ' ' LEU . 4.3 mm? -67.27 -28.67 68.22 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 112.516 0.562 . . . . 0.0 112.516 -179.534 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 46.8 m-85 -74.82 -34.52 62.37 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 122.39 0.276 . . . . 0.0 111.675 179.621 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 -72.31 -42.36 65.52 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.805 179.219 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 52.1 m -69.26 -34.89 75.47 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.263 178.744 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.444 ' HB2' ' O ' ' A' ' 43' ' ' LEU . 4.5 tp -70.78 -36.62 73.12 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.601 179.484 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 -72.3 -39.3 68.39 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.782 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -71.57 -39.64 60.46 Favored Glycine 0 C--N 1.343 0.962 0 CA-C-N 116.176 -0.465 . . . . 0.0 112.928 179.479 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.489 ' O ' HG22 ' A' ' 54' ' ' VAL . 43.5 mt-10 -71.95 -35.73 69.66 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 122.749 0.42 . . . . 0.0 111.513 179.647 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.401 ' HB2' ' O ' ' A' ' 47' ' ' LEU . 3.8 tp -72.47 -35.7 68.28 Favored 'General case' 0 N--CA 1.47 0.551 0 O-C-N 123.572 0.545 . . . . 0.0 111.253 179.58 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -74.45 -31.41 62.25 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.205 179.096 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 17.2 p -74.5 -36.98 63.25 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.534 179.135 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.489 HG22 ' O ' ' A' ' 50' ' ' GLU . 13.7 m -74.11 -34.18 37.6 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.989 178.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -71.54 -36.98 71.16 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.032 178.778 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -72.98 -33.17 65.66 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.017 178.85 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 11.5 p -73.78 -35.35 64.94 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.435 179.058 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 20.9 mt -72.92 -36.58 67.27 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.868 178.899 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.523 ' O ' HG13 ' A' ' 62' ' ' ILE . 9.6 tt0 -69.54 -38.35 77.46 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.636 178.833 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.38 -35.05 75.44 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.781 178.829 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' MET . . . . . 0.464 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 81.7 mtp -66.63 -43.18 85.41 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.5 179.247 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.523 HG13 ' O ' ' A' ' 59' ' ' GLN . 1.2 pt -74.4 -25.96 19.95 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 O-C-N 123.414 0.446 . . . . 0.0 111.817 179.662 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.4 mp -82.95 -20.61 34.92 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.216 178.651 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -86.96 -38.75 16.35 Favored 'General case' 0 N--CA 1.468 0.471 0 N-CA-C 112.305 0.483 . . . . 0.0 112.305 179.593 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.464 ' HG ' ' O ' ' A' ' 61' ' ' MET . 3.3 pp . . . . . 0 N--CA 1.472 0.634 0 N-CA-C 112.123 0.416 . . . . 0.0 112.123 -179.647 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 . . . . . 0 N--CA 1.47 0.557 0 N-CA-C 111.931 0.345 . . . . 0.0 111.931 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -76.95 -29.95 55.84 Favored 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 112.193 0.442 . . . . 0.0 112.193 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 13.3 mt -86.18 -26.61 25.03 Favored 'General case' 0 N--CA 1.469 0.516 0 O-C-N 123.481 0.488 . . . . 0.0 111.84 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -67.74 -37.46 82.19 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 112.132 0.419 . . . . 0.0 112.132 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -64.52 -38.95 92.81 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 122.783 0.433 . . . . 0.0 111.55 179.562 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 59.0 mttp -74.78 -33.5 62.28 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.271 179.61 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -71.51 -36.41 71.06 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.531 179.426 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 -75.61 -35.46 60.5 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.42 179.282 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' SER . . . . . 0.422 ' O ' ' HG3' ' A' ' 112' ' ' GLU . 16.1 t -70.57 -41.44 72.41 Favored 'General case' 0 N--CA 1.471 0.592 0 O-C-N 123.309 0.381 . . . . 0.0 110.991 179.047 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 26.8 mt -70.68 -35.92 73.06 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.147 179.262 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -69.74 -34.43 73.82 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.269 179.01 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -74.44 -29.9 61.67 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.853 178.814 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.422 ' HG3' ' O ' ' A' ' 108' ' ' SER . 45.2 mt-10 -73.44 -38.24 65.58 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.458 178.842 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 13.6 mt -74.34 -34.21 36.08 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.247 179.272 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 52.9 mt-30 -72.64 -34.03 67.01 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.012 178.853 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 10.4 t80 -72.19 -38.2 69.12 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.614 179.189 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.694 ' O ' HG12 ' A' ' 120' ' ' ILE . 15.1 mt -68.2 -38.4 81.92 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.895 178.713 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 64.1 mttm -68.34 -37.93 81.01 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.33 179.273 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -68.81 -33.71 74.3 Favored 'General case' 0 N--CA 1.47 0.56 0 O-C-N 123.459 0.474 . . . . 0.0 111.425 178.75 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 16.5 mt -71.33 -38.96 71.66 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.789 179.299 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 120' ' ' ILE . . . . . 0.694 HG12 ' O ' ' A' ' 116' ' ' LEU . 28.5 mm -72.28 -33.66 46.87 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 O-C-N 123.356 0.41 . . . . 0.0 110.443 179.302 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -73.02 -33.57 65.82 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.452 179.259 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -74.94 -34.99 62.16 Favored 'General case' 0 N--CA 1.47 0.557 0 O-C-N 123.515 0.509 . . . . 0.0 111.433 179.493 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 9.9 p -74.87 -34.51 33.34 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.813 0 O-C-N 123.413 0.446 . . . . 0.0 110.606 178.897 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -71.17 -37.64 72.19 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.369 178.694 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -73.89 -36.56 64.78 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.853 179.504 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.523 0 CA-C-N 116.035 -0.529 . . . . 0.0 112.065 179.907 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 5.3 m . . . . . 0 CA--C 1.541 0.604 0 CA-C-O 121.444 0.64 . . . . 0.0 111.338 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 52.9 m -138.73 -39.64 0.5 Allowed 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 115.224 -0.898 . . . . 0.0 111.118 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -95.51 -26.56 15.76 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.832 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -84.54 -22.66 30.05 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 122.55 0.34 . . . . 0.0 111.834 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 1.6 m -77.44 -36.07 23.0 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 N-CA-C 112.456 0.539 . . . . 0.0 112.456 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -57.3 -38.34 86.0 Favored Glycine 0 C--N 1.341 0.842 0 O-C-N 123.598 0.561 . . . . 0.0 114.012 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -75.63 -32.53 60.28 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 122.463 0.305 . . . . 0.0 111.286 179.56 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -75.52 -33.98 60.76 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.843 179.057 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.441 ' O ' HG22 ' A' ' 21' ' ' ILE . 48.5 t -72.95 -38.81 66.62 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.718 178.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.573 ' O ' HG22 ' A' ' 23' ' ' VAL . 42.8 mt-10 -70.24 -37.32 74.94 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.408 178.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.3 -38.03 68.83 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.513 179.522 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.441 HG22 ' O ' ' A' ' 18' ' ' CYS . 1.3 tp -72.34 -28.46 28.84 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.792 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.459 179.1 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -73.04 -42.81 42.85 Favored Glycine 0 C--N 1.349 1.266 0 CA-C-N 115.705 -0.68 . . . . 0.0 112.433 178.834 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.573 HG22 ' O ' ' A' ' 19' ' ' GLU . 2.9 m -71.21 -32.95 49.12 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 122.236 0.214 . . . . 0.0 111.232 178.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -71.61 -37.12 70.97 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.104 178.795 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.5 tp -69.82 -39.01 76.75 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.453 179.289 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.4 mt -69.63 -41.73 75.25 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.809 179.763 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 21.5 m80 -70.75 -31.77 68.7 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.439 179.264 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.452 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 0.8 OUTLIER -74.92 -31.49 61.55 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.355 179.036 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -72.86 -40.86 65.33 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.992 179.018 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -69.96 -37.64 75.87 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.246 178.874 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -74.4 -28.45 61.1 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.469 179.154 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.452 ' HB2' ' O ' ' A' ' 28' ' ' LEU . 3.6 tt -73.38 -41.5 63.29 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 122.855 0.462 . . . . 0.0 110.984 179.577 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.46 ' O ' ' HD2' ' A' ' 37' ' ' TYR . 8.8 mt -71.55 -37.53 71.09 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.705 178.902 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -71.97 -29.3 67.19 Favored Glycine 0 C--N 1.344 0.989 0 CA-C-N 115.722 -0.672 . . . . 0.0 112.465 178.835 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -80.99 -28.62 35.48 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 122.709 0.404 . . . . 0.0 111.582 178.895 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 36.5 mtt -78.21 -34.93 49.08 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 116.252 -0.431 . . . . 0.0 112.138 179.695 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.46 ' HD2' ' O ' ' A' ' 33' ' ' LEU . 16.0 m-85 -77.0 -33.21 57.6 Favored 'General case' 0 N--CA 1.472 0.66 0 O-C-N 123.385 0.428 . . . . 0.0 112.028 179.737 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 69.8 p -86.57 -22.68 26.15 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.867 179.734 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 65.9 m80 63.01 104.47 0.03 OUTLIER 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 123.895 0.878 . . . . 0.0 111.811 -179.703 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -143.73 161.86 37.49 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.797 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -101.16 -40.77 7.02 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.574 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.92 -38.18 85.72 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 112.705 0.632 . . . . 0.0 112.705 -179.646 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 6.4 mp -69.87 -28.85 65.99 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 112.365 0.505 . . . . 0.0 112.365 -179.628 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -70.88 -37.26 73.04 Favored 'General case' 0 N--CA 1.472 0.659 0 O-C-N 123.262 0.351 . . . . 0.0 111.173 179.141 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 54.9 mt-30 -72.32 -37.62 68.87 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.561 178.782 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 16.3 t -69.12 -37.83 78.57 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.995 178.586 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 19.8 mt -70.72 -33.73 71.16 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.75 179.207 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -71.46 -41.11 69.81 Favored 'General case' 0 N--CA 1.474 0.759 0 O-C-N 123.414 0.447 . . . . 0.0 111.406 179.415 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -71.5 -37.84 62.18 Favored Glycine 0 C--N 1.344 1.02 0 CA-C-N 116.055 -0.52 . . . . 0.0 112.542 179.094 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.57 ' O ' HG23 ' A' ' 54' ' ' VAL . 41.6 mt-10 -71.05 -35.73 72.04 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 122.787 0.435 . . . . 0.0 111.022 179.261 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.8 tp -71.2 -35.01 71.39 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.853 179.167 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 54.0 mt-30 -73.22 -31.98 64.48 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.261 179.013 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 18.6 p -75.1 -35.9 61.72 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.397 179.055 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.57 HG23 ' O ' ' A' ' 50' ' ' GLU . 85.1 t -74.11 -34.42 38.3 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.31 179.138 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -74.23 -34.62 63.72 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.112 179.034 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -73.04 -34.39 66.28 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.96 178.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 18.5 p -73.48 -36.36 65.79 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.991 178.877 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.7 tt -69.98 -38.52 76.07 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.644 179.114 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 11.9 mm100 -69.66 -38.63 77.17 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.143 179.055 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -70.32 -29.41 66.12 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 115.8 -0.637 . . . . 0.0 111.29 178.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' MET . . . . . 0.546 ' O ' ' HB2' ' A' ' 65' ' ' LEU . 5.6 tmm? -73.4 -43.27 60.88 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.096 179.315 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.426 ' H ' HG13 ' A' ' 62' ' ' ILE . 2.2 pp -75.09 -24.7 17.89 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.679 179.613 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.9 tp -82.3 -30.91 30.27 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.663 178.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 54.0 mt-30 -90.4 -15.73 30.43 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.294 179.265 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.546 ' HB2' ' O ' ' A' ' 61' ' ' MET . 2.3 tt . . . . . 0 N--CA 1.472 0.673 0 C-N-CA 122.81 0.444 . . . . 0.0 111.495 179.555 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 . . . . . 0 N--CA 1.468 0.452 0 CA-C-O 120.439 0.162 . . . . 0.0 111.046 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -76.87 -29.69 55.92 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.692 179.642 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 15.5 mt -84.67 -27.23 27.23 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.74 179.798 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -74.67 -39.56 61.95 Favored 'General case' 0 N--CA 1.473 0.686 0 O-C-N 123.256 0.347 . . . . 0.0 111.753 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -64.66 -39.53 93.84 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 122.804 0.442 . . . . 0.0 111.591 179.404 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.467 ' O ' HD23 ' A' ' 109' ' ' LEU . 97.1 mttt -78.16 -31.55 49.77 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.502 179.834 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -71.53 -40.1 70.3 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.551 179.191 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -75.86 -36.84 59.44 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.888 179.59 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 74.1 m -70.28 -41.74 73.0 Favored 'General case' 0 N--CA 1.473 0.69 0 O-C-N 123.228 0.33 . . . . 0.0 111.287 179.397 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.467 HD23 ' O ' ' A' ' 105' ' ' LYS . 4.3 mm? -72.31 -33.36 67.32 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.282 179.264 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -69.72 -35.3 74.91 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.881 178.473 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' LYS . . . . . 0.443 ' O ' ' HD2' ' A' ' 115' ' ' TYR . 66.0 mttm -73.83 -30.69 62.84 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.645 178.685 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.48 ' O ' HD12 ' A' ' 116' ' ' LEU . 38.5 mt-10 -71.43 -38.32 71.37 Favored 'General case' 0 N--CA 1.471 0.623 0 O-C-N 123.57 0.544 . . . . 0.0 111.172 178.711 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 15.6 mt -73.91 -33.22 36.22 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.109 178.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 -70.77 -36.35 73.02 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.147 178.704 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 115' ' ' TYR . . . . . 0.443 ' HD2' ' O ' ' A' ' 111' ' ' LYS . 4.0 m-85 -72.31 -36.04 68.79 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.7 178.875 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.48 HD12 ' O ' ' A' ' 112' ' ' GLU . 1.0 OUTLIER -67.31 -39.83 85.94 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.094 178.62 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 27.1 tttm -70.01 -37.19 75.58 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.99 179.608 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -68.97 -32.53 72.18 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.407 178.787 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 13.0 mt -72.78 -40.12 66.18 Favored 'General case' 0 N--CA 1.471 0.595 0 O-C-N 123.382 0.426 . . . . 0.0 111.525 179.43 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 11.5 mt -72.32 -33.31 45.61 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.215 178.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -73.04 -31.91 64.74 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.574 179.054 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -74.99 -37.2 61.92 Favored 'General case' 0 N--CA 1.471 0.586 0 O-C-N 123.4 0.437 . . . . 0.0 111.313 179.287 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 9.4 p -72.29 -36.35 55.29 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.907 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.636 179.047 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -71.16 -37.88 72.21 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.338 178.914 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -73.89 -30.23 62.5 Favored 'General case' 0 N--CA 1.471 0.625 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.778 179.379 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.5 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.771 179.516 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 4.3 m . . . . . 0 N--CA 1.472 0.67 0 N-CA-C 111.947 0.351 . . . . 0.0 111.947 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 52.5 m -89.88 -13.54 36.2 Favored 'General case' 0 CA--C 1.537 0.446 0 O-C-N 123.428 0.455 . . . . 0.0 112.022 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -96.5 -29.01 14.14 Favored 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 112.203 0.446 . . . . 0.0 112.203 -179.63 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -84.41 -22.02 30.58 Favored 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 112.124 0.416 . . . . 0.0 112.124 -179.696 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.4 m -71.72 -37.4 62.55 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 N-CA-C 112.673 0.62 . . . . 0.0 112.673 -179.803 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.402 ' O ' ' HB2' ' A' ' 19' ' ' GLU . . . -59.35 -39.37 94.65 Favored Glycine 0 C--N 1.342 0.916 0 CA-C-N 116.24 -0.436 . . . . 0.0 113.829 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -76.68 -35.58 57.82 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 122.553 0.341 . . . . 0.0 111.489 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.486 ' HD3' ' SD ' ' A' ' 61' ' ' MET . 97.4 mttt -74.39 -34.16 63.23 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.038 179.303 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.423 ' O ' HG22 ' A' ' 21' ' ' ILE . 91.8 m -74.54 -36.21 63.14 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.729 178.852 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.572 ' O ' HG22 ' A' ' 23' ' ' VAL . 9.3 tt0 -70.33 -36.53 74.32 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.988 178.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.53 -38.61 68.0 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.519 179.275 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.423 HG22 ' O ' ' A' ' 18' ' ' CYS . 1.7 tp -72.31 -27.6 26.84 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.816 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.391 178.929 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -73.19 -43.64 38.51 Favored Glycine 0 C--N 1.348 1.219 0 CA-C-N 115.774 -0.648 . . . . 0.0 112.355 178.791 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.572 HG22 ' O ' ' A' ' 19' ' ' GLU . 2.8 m -71.06 -31.86 46.24 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 CA-C-O 120.63 0.252 . . . . 0.0 111.019 178.81 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 38.0 mttp -73.9 -35.13 64.63 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.929 178.436 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.478 ' O ' ' HB2' ' A' ' 29' ' ' GLU . 2.6 tt -70.01 -37.37 75.65 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 123.057 0.543 . . . . 0.0 111.096 179.231 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.4 mt -73.96 -36.87 64.63 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.467 179.386 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 8.5 t-80 -74.12 -35.85 64.17 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.893 179.202 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.451 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 2.6 tt -74.98 -30.55 61.21 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.809 179.199 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.533 ' O ' HD23 ' A' ' 33' ' ' LEU . 12.4 tt0 -73.97 -38.68 64.1 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.599 179.197 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -69.99 -38.9 76.13 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.812 178.776 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 53.6 mt-30 -74.07 -28.67 61.51 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.52 179.418 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.555 ' O ' ' HB2' ' A' ' 36' ' ' MET . 2.0 tt -75.43 -37.92 60.1 Favored 'General case' 0 N--CA 1.471 0.609 0 O-C-N 123.43 0.457 . . . . 0.0 111.079 179.537 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.533 HD23 ' O ' ' A' ' 29' ' ' GLU . 3.8 mm? -71.54 -39.19 70.87 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.812 179.078 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -71.79 -33.33 63.21 Favored Glycine 0 C--N 1.344 0.995 0 CA-C-N 115.682 -0.69 . . . . 0.0 112.438 178.808 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -81.22 -22.53 38.73 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 122.617 0.367 . . . . 0.0 111.699 178.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.555 ' HB2' ' O ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -79.79 -38.43 33.07 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.415 179.659 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.431 ' HD1' ' O ' ' A' ' 33' ' ' LEU . 33.7 m-85 -81.11 -35.35 31.74 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.962 179.49 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 14.6 t -86.53 -32.36 20.77 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.47 179.686 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 9.2 t-80 61.5 109.85 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 123.901 0.881 . . . . 0.0 111.822 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -143.02 165.38 27.54 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.387 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -93.1 -40.24 10.62 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.492 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.95 -40.23 87.46 Favored 'General case' 0 N--CA 1.473 0.675 0 N-CA-C 112.741 0.645 . . . . 0.0 112.741 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 22.0 mt -71.76 -30.02 65.12 Favored 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 112.271 0.471 . . . . 0.0 112.271 -179.563 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -70.86 -37.14 73.09 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 122.429 0.291 . . . . 0.0 111.473 179.609 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -72.76 -40.16 66.21 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.511 178.821 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 56.2 m -69.08 -37.89 78.7 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.24 178.648 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.472 ' O ' ' HB2' ' A' ' 51' ' ' LEU . 15.5 mt -70.97 -33.67 70.66 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.937 179.407 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -72.65 -39.64 67.0 Favored 'General case' 0 N--CA 1.472 0.674 0 O-C-N 123.382 0.426 . . . . 0.0 111.547 179.654 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -71.57 -37.31 62.11 Favored Glycine 0 C--N 1.343 0.965 0 CA-C-N 116.187 -0.461 . . . . 0.0 112.52 179.097 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -73.04 -35.31 66.71 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 122.963 0.505 . . . . 0.0 110.96 179.174 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.472 ' HB2' ' O ' ' A' ' 47' ' ' LEU . 2.3 tt -71.17 -35.19 71.54 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.017 179.354 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -73.93 -35.0 64.54 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.098 179.006 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 19.2 p -73.16 -34.03 65.82 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.477 178.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.427 HG12 ' O ' ' A' ' 51' ' ' LEU . 6.9 p -75.37 -34.26 29.87 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.862 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.626 179.423 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 44.9 mttm -73.68 -32.93 64.21 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.024 178.698 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -72.75 -38.25 67.44 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.473 178.703 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 12.7 p -71.1 -35.94 71.99 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.184 178.814 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.5 tt -71.24 -36.27 71.75 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.624 179.248 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.439 ' O ' HG13 ' A' ' 62' ' ' ILE . 50.0 mt-30 -69.44 -37.33 77.33 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.962 178.771 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.73 -34.09 73.36 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.186 178.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' MET . . . . . 0.486 ' SD ' ' HD3' ' A' ' 17' ' ' LYS . 38.5 mmm -69.9 -41.01 75.26 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 115.815 -0.629 . . . . 0.0 111.602 179.072 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.439 HG13 ' O ' ' A' ' 59' ' ' GLN . 1.7 pp -75.62 -27.26 18.72 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 CA-C-N 116.297 -0.411 . . . . 0.0 112.092 179.628 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 23.4 mt -79.32 -30.73 42.91 Favored 'General case' 0 N--CA 1.471 0.625 0 O-C-N 123.343 0.402 . . . . 0.0 111.274 179.063 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 4.4 tp60 -83.79 -30.27 26.71 Favored 'General case' 0 CA--C 1.537 0.456 0 O-C-N 123.487 0.492 . . . . 0.0 111.119 179.213 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 16.4 mt . . . . . 0 C--O 1.238 0.469 0 CA-C-O 121.412 0.625 . . . . 0.0 110.304 179.664 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 . . . . . 0 N--CA 1.47 0.548 0 N-CA-C 111.697 0.258 . . . . 0.0 111.697 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -76.84 -29.88 56.09 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 112.248 0.462 . . . . 0.0 112.248 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 12.3 mt -83.85 -26.69 29.27 Favored 'General case' 0 N--CA 1.47 0.56 0 O-C-N 123.463 0.477 . . . . 0.0 111.961 -179.672 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -72.63 -37.93 67.89 Favored 'General case' 0 N--CA 1.473 0.706 0 N-CA-C 112.011 0.375 . . . . 0.0 112.011 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -64.61 -41.38 96.24 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 122.719 0.408 . . . . 0.0 111.603 179.533 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -74.94 -34.27 62.07 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 115.954 -0.567 . . . . 0.0 111.396 179.751 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -71.43 -37.81 71.41 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.707 179.331 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -75.67 -33.22 60.4 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.606 179.522 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 68.8 m -72.89 -38.96 66.77 Favored 'General case' 0 N--CA 1.471 0.595 0 O-C-N 123.293 0.371 . . . . 0.0 111.382 179.125 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 21.3 mt -75.82 -31.68 59.49 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.322 179.541 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.403 ' HA ' HG22 ' A' ' 113' ' ' ILE . . . -73.82 -36.83 64.99 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.347 179.227 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -74.71 -34.69 62.65 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.95 179.148 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.507 ' O ' ' HB2' ' A' ' 116' ' ' LEU . 40.2 mt-10 -73.91 -32.61 63.62 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.591 178.855 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.403 HG22 ' HA ' ' A' ' 110' ' ' ALA . 3.3 tp -77.27 -33.34 19.85 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.761 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.802 179.36 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -73.7 -36.93 65.3 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.884 178.721 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -72.76 -35.95 67.58 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.08 178.735 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.623 ' O ' HG12 ' A' ' 120' ' ' ILE . 0.2 OUTLIER -66.29 -40.23 89.89 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.657 178.828 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -66.06 -44.09 85.52 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.033 179.111 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 118' ' ' ASP . . . . . 0.456 ' O ' ' HB2' ' A' ' 122' ' ' GLU . 10.4 m-20 -68.9 -24.86 64.36 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.99 178.358 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.543 ' O ' HG22 ' A' ' 123' ' ' VAL . 1.2 tt -73.32 -38.9 65.64 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.11 179.288 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 120' ' ' ILE . . . . . 0.623 HG12 ' O ' ' A' ' 116' ' ' LEU . 26.6 mm -71.96 -37.82 62.23 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.11 179.065 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -72.7 -28.36 62.63 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.376 179.075 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 122' ' ' GLU . . . . . 0.456 ' HB2' ' O ' ' A' ' 118' ' ' ASP . 11.3 tt0 -75.93 -39.17 56.69 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.207 179.506 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.543 HG22 ' O ' ' A' ' 119' ' ' LEU . 5.8 m -73.62 -33.37 38.61 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 O-C-N 123.247 0.342 . . . . 0.0 110.946 178.901 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 37.7 ttt180 -70.92 -38.99 72.94 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.835 178.678 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -74.09 -30.45 62.36 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.645 179.119 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.534 0 CA-C-N 116.202 -0.454 . . . . 0.0 112.131 179.806 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 4.3 m . . . . . 0 N--CA 1.473 0.691 0 N-CA-C 112.238 0.459 . . . . 0.0 112.238 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 13.9 t -101.91 -16.0 16.67 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.777 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -95.93 -30.73 13.47 Favored 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 112.182 0.438 . . . . 0.0 112.182 -179.52 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -83.32 -22.12 33.0 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 112.378 0.51 . . . . 0.0 112.378 -179.734 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.7 m -71.89 -38.83 66.19 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 N-CA-C 112.533 0.568 . . . . 0.0 112.533 -179.779 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -65.67 -41.47 95.9 Favored Glycine 0 C--N 1.341 0.832 0 O-C-N 123.472 0.483 . . . . 0.0 113.633 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -72.38 -39.43 68.01 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 122.516 0.326 . . . . 0.0 111.323 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.659 ' O ' HG12 ' A' ' 21' ' ' ILE . 96.9 mttt -70.19 -34.84 73.44 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.041 179.436 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 47.4 t -70.95 -36.71 72.69 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.714 178.897 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.559 ' O ' HG22 ' A' ' 23' ' ' VAL . 41.3 mt-10 -69.83 -31.81 69.88 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.796 178.59 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -71.81 -39.94 69.5 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.314 178.756 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.659 HG12 ' O ' ' A' ' 17' ' ' LYS . 36.4 mm -71.91 -27.58 27.92 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.932 178.62 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -71.73 -44.36 48.54 Favored Glycine 0 C--N 1.346 1.104 0 O-C-N 123.587 0.555 . . . . 0.0 112.554 178.74 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.559 HG22 ' O ' ' A' ' 19' ' ' GLU . 2.9 m -71.22 -33.0 49.24 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 CA-C-O 120.579 0.228 . . . . 0.0 111.332 179.085 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.4 ' O ' ' HB2' ' A' ' 28' ' ' LEU . 96.8 mttt -73.73 -33.69 64.44 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.861 178.796 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.425 ' HB2' ' O ' ' A' ' 21' ' ' ILE . 4.9 tp -70.03 -39.8 75.54 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.937 179.042 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.7 mt -70.01 -40.27 75.33 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.211 179.188 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 6.4 t-80 -70.08 -32.52 70.63 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.609 178.88 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.489 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 4.7 tp -74.76 -29.46 61.14 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.636 178.865 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -72.13 -40.37 68.13 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.515 179.087 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -69.7 -38.08 76.82 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.722 178.616 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 52.7 mt-30 -74.19 -25.21 59.56 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.951 178.701 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.489 ' HB2' ' O ' ' A' ' 28' ' ' LEU . 3.5 tt -74.16 -40.11 62.79 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.722 179.172 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.438 ' O ' ' HD1' ' A' ' 37' ' ' TYR . 4.9 tp -71.15 -39.18 72.1 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.416 179.034 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -72.05 -29.98 66.07 Favored Glycine 0 C--N 1.342 0.897 0 CA-C-N 115.674 -0.693 . . . . 0.0 112.978 179.043 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -81.26 -29.33 34.41 Favored 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 112.004 0.372 . . . . 0.0 112.004 179.581 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 37.6 mtt -80.58 -34.66 35.1 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.438 ' HD1' ' O ' ' A' ' 33' ' ' LEU . 25.4 m-85 -81.21 -38.79 26.43 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 111.96 0.356 . . . . 0.0 111.96 179.716 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 54.9 m -86.69 -8.67 57.22 Favored 'General case' 0 N--CA 1.469 0.516 0 O-C-N 123.398 0.436 . . . . 0.0 112.049 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 29.8 p80 46.37 102.63 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.596 0 C-N-CA 124.678 1.191 . . . . 0.0 113.247 -179.68 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -135.88 160.36 38.84 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.827 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -98.94 -39.92 8.33 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.592 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.84 -33.77 76.34 Favored 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 112.84 0.682 . . . . 0.0 112.84 -179.745 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.568 ' O ' ' HB2' ' A' ' 47' ' ' LEU . 4.8 mt -72.41 -28.5 63.02 Favored 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 -179.72 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -74.95 -36.71 62.1 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 122.401 0.28 . . . . 0.0 111.398 179.32 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 19.6 mm-40 -72.07 -40.92 67.93 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.593 179.228 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 16.1 t -69.15 -35.04 75.92 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.917 178.621 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.568 ' HB2' ' O ' ' A' ' 43' ' ' LEU . 0.2 OUTLIER -70.64 -34.38 72.0 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.389 179.135 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 53.2 mt-30 -71.77 -39.9 69.65 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.28 179.305 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -71.42 -37.8 62.53 Favored Glycine 0 C--N 1.343 0.954 0 CA-C-N 116.129 -0.487 . . . . 0.0 112.642 179.137 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.594 ' O ' HG23 ' A' ' 54' ' ' VAL . 42.3 mt-10 -71.32 -35.9 71.39 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 122.828 0.451 . . . . 0.0 111.071 179.214 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.6 tp -71.38 -35.06 70.95 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.929 179.185 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 11.7 mm100 -72.97 -32.56 65.28 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.196 178.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 18.5 p -73.98 -36.26 64.53 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.602 178.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.594 HG23 ' O ' ' A' ' 50' ' ' GLU . 78.3 t -73.5 -34.25 41.91 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.29 178.882 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -72.07 -36.66 69.63 Favored 'General case' 0 N--CA 1.471 0.625 0 O-C-N 123.389 0.43 . . . . 0.0 111.092 178.874 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -72.82 -32.76 65.74 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.141 178.87 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 16.5 p -73.71 -35.52 65.14 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.171 178.868 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 21.3 mt -71.2 -38.42 72.08 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.894 178.92 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.451 ' O ' HG13 ' A' ' 62' ' ' ILE . 47.2 mt-30 -69.49 -37.62 77.31 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.69 178.572 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.455 ' O ' ' HB2' ' A' ' 64' ' ' GLN . . . -69.89 -30.66 68.15 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.049 178.834 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' MET . . . . . 0.432 ' O ' HD12 ' A' ' 65' ' ' LEU . 82.8 mtp -71.64 -43.69 65.68 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.324 178.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.451 HG13 ' O ' ' A' ' 59' ' ' GLN . 1.4 pt -75.22 -22.88 16.87 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.687 179.427 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 2.8 tt -86.72 -25.39 24.76 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.18 179.157 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.455 ' HB2' ' O ' ' A' ' 60' ' ' ALA . 3.8 tp60 -89.4 -26.92 20.76 Favored 'General case' 0 CA--C 1.539 0.521 0 O-C-N 123.362 0.413 . . . . 0.0 111.47 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.432 HD12 ' O ' ' A' ' 61' ' ' MET . 6.7 mt . . . . . 0 N--CA 1.471 0.612 0 N-CA-C 111.905 0.335 . . . . 0.0 111.905 179.808 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 . . . . . 0 N--CA 1.469 0.485 0 N-CA-C 111.452 0.167 . . . . 0.0 111.452 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -76.77 -29.74 56.2 Favored 'General case' 0 N--CA 1.47 0.547 0 O-C-N 123.425 0.453 . . . . 0.0 111.973 179.66 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 11.1 mt -79.69 -26.64 40.86 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 116.001 -0.545 . . . . 0.0 112.018 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -70.86 -39.19 73.04 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 122.669 0.388 . . . . 0.0 111.979 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -64.68 -40.36 95.26 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 122.79 0.436 . . . . 0.0 111.728 179.794 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -77.23 -30.65 54.65 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.548 179.814 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -71.77 -39.22 70.1 Favored 'General case' 0 N--CA 1.47 0.562 0 O-C-N 123.474 0.484 . . . . 0.0 111.66 179.203 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -75.78 -37.63 59.03 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 115.855 -0.612 . . . . 0.0 111.606 179.468 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 68.0 m -70.54 -37.46 74.07 Favored 'General case' 0 N--CA 1.47 0.572 0 O-C-N 123.221 0.326 . . . . 0.0 111.288 179.313 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 4.7 tp -73.25 -36.78 66.45 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.878 179.313 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.414 ' O ' ' HB2' ' A' ' 114' ' ' GLN . . . -71.3 -30.94 66.85 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.261 179.075 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 55.5 mttp -77.22 -32.22 55.75 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.794 178.767 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -73.45 -35.13 65.71 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.425 178.777 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 24.7 mt -77.95 -32.93 17.91 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 N-CA-C 109.776 -0.454 . . . . 0.0 109.776 178.535 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 114' ' ' GLN . . . . . 0.414 ' HB2' ' O ' ' A' ' 110' ' ' ALA . 14.7 tt0 -67.85 -37.87 82.41 Favored 'General case' 0 N--CA 1.469 0.512 0 O-C-N 123.453 0.471 . . . . 0.0 110.191 178.383 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 12.1 t80 -73.6 -35.83 65.42 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.936 178.488 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.605 ' O ' HG12 ' A' ' 120' ' ' ILE . 10.1 tp -67.24 -36.88 82.57 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.7 178.74 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 62.4 mttm -69.19 -43.35 74.34 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.714 178.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -68.68 -25.01 64.58 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.639 178.054 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.582 ' O ' HG22 ' A' ' 123' ' ' VAL . 2.3 tt -71.5 -42.79 67.57 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.563 179.011 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 120' ' ' ILE . . . . . 0.605 HG12 ' O ' ' A' ' 116' ' ' LEU . 26.2 mm -69.21 -34.41 63.01 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.182 178.906 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -72.49 -30.99 65.01 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.5 179.113 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -74.57 -37.47 62.94 Favored 'General case' 0 N--CA 1.471 0.611 0 O-C-N 123.346 0.404 . . . . 0.0 111.603 179.435 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.582 HG22 ' O ' ' A' ' 119' ' ' LEU . 2.5 m -74.6 -33.13 31.22 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 O-C-N 123.261 0.351 . . . . 0.0 111.063 178.609 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -70.8 -38.31 73.34 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.321 178.534 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -74.1 -38.01 63.99 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.898 179.769 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.521 0 CA-C-N 116.157 -0.474 . . . . 0.0 112.2 -179.84 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.454 ' O ' HG22 ' A' ' 14' ' ' VAL . 3.2 m . . . . . 0 N--CA 1.472 0.665 0 N-CA-C 111.382 0.141 . . . . 0.0 111.382 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 14.2 t -83.88 -15.88 46.46 Favored 'General case' 0 N--CA 1.469 0.489 0 O-C-N 123.542 0.526 . . . . 0.0 111.77 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -97.2 -17.44 19.87 Favored 'General case' 0 CA--C 1.533 0.311 0 O-C-N 123.318 0.386 . . . . 0.0 111.927 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -90.57 -25.7 20.07 Favored 'General case' 0 N--CA 1.47 0.555 0 O-C-N 123.232 0.332 . . . . 0.0 111.779 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.454 HG22 ' O ' ' A' ' 10' ' ' VAL . 2.5 m -77.26 -38.41 27.05 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 N-CA-C 112.216 0.45 . . . . 0.0 112.216 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -62.73 -34.92 91.07 Favored Glycine 0 C--N 1.342 0.907 0 O-C-N 123.556 0.535 . . . . 0.0 113.704 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -75.89 -33.88 59.95 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 122.534 0.334 . . . . 0.0 111.211 179.419 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -74.81 -33.96 62.29 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.789 178.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 49.2 t -72.53 -39.14 67.77 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.793 178.905 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.561 ' O ' HG22 ' A' ' 23' ' ' VAL . 42.0 mt-10 -70.22 -36.6 74.65 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.718 179.105 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -71.98 -39.18 69.48 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.593 179.656 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.627 HD11 HG13 ' A' ' 54' ' ' VAL . 4.0 tp -72.91 -27.5 24.99 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.802 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.293 178.757 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -70.01 -44.91 59.42 Favored Glycine 0 C--N 1.349 1.265 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.918 178.198 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.561 HG22 ' O ' ' A' ' 19' ' ' GLU . 2.6 m -71.26 -29.19 34.98 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 CA-C-O 120.691 0.282 . . . . 0.0 110.778 178.422 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.413 ' O ' ' HB2' ' A' ' 28' ' ' LEU . 40.4 tttt -74.37 -34.42 63.36 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.5 178.387 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 6.5 tp -70.08 -39.22 75.71 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.115 179.228 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.6 mt -71.76 -38.73 70.34 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.287 179.142 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 3.9 t60 -71.72 -33.9 69.13 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.736 179.15 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.517 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 2.7 tt -75.08 -30.22 60.87 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.71 179.028 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -71.01 -42.06 70.09 Favored 'General case' 0 N--CA 1.47 0.541 0 O-C-N 123.473 0.483 . . . . 0.0 110.59 179.251 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -68.94 -38.68 79.62 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.272 178.611 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 12.4 tt0 -74.4 -21.74 59.5 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.76 178.641 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.517 ' HB2' ' O ' ' A' ' 28' ' ' LEU . 3.9 tt -75.18 -42.83 55.0 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 122.944 0.498 . . . . 0.0 110.586 179.27 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 11.5 mt -71.84 -36.19 70.09 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.613 178.692 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -72.0 -31.76 64.04 Favored Glycine 0 C--N 1.345 1.057 0 CA-C-N 115.536 -0.757 . . . . 0.0 112.67 178.764 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -81.1 -27.67 35.51 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 122.521 0.328 . . . . 0.0 111.519 179.176 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 80.8 mtp -80.26 -30.33 38.43 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.712 179.558 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 10.6 t80 -78.68 -39.27 37.18 Favored 'General case' 0 N--CA 1.469 0.5 0 O-C-N 123.397 0.436 . . . . 0.0 111.463 179.656 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 74.8 p -86.73 -11.31 51.51 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 116.131 -0.486 . . . . 0.0 112.084 179.749 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 30.7 p80 46.94 102.84 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.478 0 C-N-CA 124.755 1.222 . . . . 0.0 113.116 -179.585 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -134.27 159.69 40.2 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.987 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -97.01 -37.62 10.1 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.493 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.79 -38.27 86.2 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.012 0.525 . . . . 0.0 112.413 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.468 ' O ' ' HB2' ' A' ' 47' ' ' LEU . 8.2 mt -70.68 -28.33 64.7 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 115.993 -0.549 . . . . 0.0 112.099 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -72.62 -37.78 67.96 Favored 'General case' 0 N--CA 1.472 0.634 0 O-C-N 123.306 0.378 . . . . 0.0 111.085 179.507 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 54.8 mt-30 -71.51 -40.95 69.81 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.7 179.22 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 55.6 m -68.95 -34.62 75.65 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.89 178.596 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.468 ' HB2' ' O ' ' A' ' 43' ' ' LEU . 1.8 tt -70.74 -33.96 71.37 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.176 179.121 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 54.0 mt-30 -71.3 -39.46 71.46 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.26 179.135 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -70.51 -35.98 68.44 Favored Glycine 0 C--N 1.345 1.03 0 CA-C-N 115.916 -0.584 . . . . 0.0 112.428 178.803 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.553 ' O ' HG23 ' A' ' 54' ' ' VAL . 43.8 mt-10 -72.09 -35.73 69.29 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 122.867 0.467 . . . . 0.0 110.929 179.039 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.2 tt -69.39 -36.33 76.67 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.668 179.017 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -71.32 -35.27 71.17 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.109 178.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 18.3 p -72.38 -32.01 66.06 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.469 178.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.627 HG13 HD11 ' A' ' 21' ' ' ILE . 74.7 t -74.43 -34.48 36.28 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.209 178.676 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 81.0 mttt -71.42 -36.41 71.31 Favored 'General case' 0 N--CA 1.472 0.626 0 O-C-N 123.407 0.442 . . . . 0.0 111.103 178.574 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -72.66 -35.31 67.7 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.181 179.009 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 18.8 p -73.42 -31.98 64.15 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.078 178.861 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.6 mt -71.98 -39.97 68.93 Favored 'General case' 0 C--N 1.345 0.392 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.035 178.855 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -69.55 -37.89 77.24 Favored 'General case' 0 N--CA 1.472 0.627 0 O-C-N 123.556 0.535 . . . . 0.0 110.936 178.844 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.489 ' O ' ' HB2' ' A' ' 64' ' ' GLN . . . -70.11 -32.02 69.85 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.238 178.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' MET . . . . . 0.558 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 9.9 ttt -71.16 -43.45 67.49 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.229 179.481 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 2.2 pp -75.54 -24.65 17.25 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.846 0 O-C-N 123.346 0.404 . . . . 0.0 111.726 179.514 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.7 tp -84.48 -24.3 29.51 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.057 179.174 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.489 ' HB2' ' O ' ' A' ' 60' ' ' ALA . 5.1 tt0 -85.07 -36.07 21.44 Favored 'General case' 0 N--CA 1.468 0.459 0 O-C-N 123.405 0.441 . . . . 0.0 111.301 179.488 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.558 ' HG ' ' O ' ' A' ' 61' ' ' MET . 0.8 OUTLIER . . . . . 0 CA--C 1.536 0.44 0 CA-C-O 121.461 0.648 . . . . 0.0 110.723 179.803 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 . . . . . 0 N--CA 1.469 0.509 0 N-CA-C 111.755 0.28 . . . . 0.0 111.755 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -76.97 -31.0 56.25 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 112.128 0.418 . . . . 0.0 112.128 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 13.4 mt -86.32 -29.86 22.69 Favored 'General case' 0 N--CA 1.47 0.565 0 O-C-N 123.397 0.435 . . . . 0.0 111.734 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -72.98 -43.44 62.22 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 122.546 0.338 . . . . 0.0 111.541 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -64.83 -37.82 88.92 Favored 'General case' 0 N--CA 1.474 0.772 0 O-C-N 123.465 0.478 . . . . 0.0 111.526 179.246 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -74.29 -34.25 63.48 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.569 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -69.71 -37.89 76.72 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.647 179.372 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -75.72 -34.49 60.35 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.346 179.442 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 70.6 m -70.63 -40.09 73.33 Favored 'General case' 0 N--CA 1.471 0.58 0 O-C-N 123.32 0.388 . . . . 0.0 111.187 179.07 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 23.8 mt -71.36 -37.49 71.64 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.135 179.278 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -69.59 -33.16 72.31 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.183 179.024 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' LYS . . . . . 0.456 ' O ' ' HB2' ' A' ' 115' ' ' TYR . 92.8 mttt -75.61 -29.86 59.38 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.881 178.829 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -73.49 -37.41 65.73 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.48 178.738 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 13.9 mt -74.66 -36.61 41.12 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.222 179.178 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 53.8 mt-30 -71.87 -32.97 68.0 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.933 178.765 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 115' ' ' TYR . . . . . 0.456 ' HB2' ' O ' ' A' ' 111' ' ' LYS . 9.0 t80 -72.78 -37.35 67.64 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.563 179.171 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.674 ' O ' HG12 ' A' ' 120' ' ' ILE . 16.1 mt -67.74 -38.79 83.98 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.751 178.548 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -66.44 -41.42 89.15 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.145 179.122 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 118' ' ' ASP . . . . . 0.437 ' O ' ' HB2' ' A' ' 122' ' ' GLU . 20.0 m-20 -68.97 -29.32 67.51 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.519 178.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 18.1 mt -74.36 -35.39 63.54 Favored 'General case' 0 N--CA 1.47 0.561 0 O-C-N 123.429 0.455 . . . . 0.0 111.775 179.126 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 120' ' ' ILE . . . . . 0.674 HG12 ' O ' ' A' ' 116' ' ' LEU . 32.3 mm -74.05 -37.5 47.14 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 O-C-N 123.211 0.319 . . . . 0.0 110.533 179.229 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -73.06 -33.54 65.71 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.517 179.117 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 122' ' ' GLU . . . . . 0.437 ' HB2' ' O ' ' A' ' 118' ' ' ASP . 3.0 tp10 -76.19 -33.65 59.31 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.421 179.81 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 9.9 p -77.79 -33.42 18.76 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.754 0 O-C-N 123.409 0.443 . . . . 0.0 110.437 178.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 124' ' ' ARG . . . . . 0.414 ' HB2' ' O ' ' A' ' 120' ' ' ILE . 35.8 ttt180 -71.17 -37.91 72.18 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.987 178.802 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -74.09 -41.46 61.65 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.853 179.616 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.477 0 CA-C-N 116.228 -0.442 . . . . 0.0 112.022 -179.95 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 4.0 m . . . . . 0 N--CA 1.473 0.693 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 53.4 m -92.36 -14.38 28.78 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.927 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -95.41 -24.59 16.63 Favored 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 -179.635 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -86.57 -22.08 26.48 Favored 'General case' 0 N--CA 1.471 0.581 0 N-CA-C 112.172 0.434 . . . . 0.0 112.172 -179.697 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.7 m -71.18 -39.82 73.9 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 N-CA-C 112.619 0.6 . . . . 0.0 112.619 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -64.68 -42.39 97.27 Favored Glycine 0 C--N 1.343 0.918 0 CA-C-N 116.192 -0.458 . . . . 0.0 113.645 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -73.11 -38.04 66.48 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 122.535 0.334 . . . . 0.0 111.471 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.653 ' O ' HG12 ' A' ' 21' ' ' ILE . 95.9 mttt -70.85 -35.47 72.42 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.223 179.352 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 66.0 m -71.28 -36.47 71.7 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.685 178.695 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.565 ' O ' HG22 ' A' ' 23' ' ' VAL . 41.1 mt-10 -69.89 -31.57 69.44 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.789 178.376 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.13 -39.74 68.58 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.397 178.775 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.653 HG12 ' O ' ' A' ' 17' ' ' LYS . 39.9 mm -72.29 -27.63 26.97 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.775 0 CA-C-N 116.166 -0.47 . . . . 0.0 109.898 178.619 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -71.59 -44.09 50.59 Favored Glycine 0 C--N 1.348 1.197 0 CA-C-N 115.967 -0.56 . . . . 0.0 112.305 178.788 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.565 HG22 ' O ' ' A' ' 19' ' ' GLU . 3.0 m -71.32 -33.18 49.45 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 CA-C-O 120.562 0.22 . . . . 0.0 111.276 179.043 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.441 ' O ' ' HB2' ' A' ' 28' ' ' LEU . 96.7 mttt -73.25 -33.75 65.47 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.928 178.789 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.43 ' HB2' ' O ' ' A' ' 21' ' ' ILE . 4.7 tp -70.13 -40.35 74.88 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.169 179.124 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.4 mt -69.31 -43.42 73.81 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.284 179.539 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.638 ' O ' ' HG2' ' A' ' 31' ' ' GLN . 31.2 m80 -67.97 -31.95 72.03 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.057 178.927 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.478 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 4.8 tp -71.9 -34.49 69.17 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.559 178.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.424 ' HG3' ' O ' ' A' ' 25' ' ' LEU . 42.8 mt-10 -69.99 -36.17 74.95 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.901 178.794 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -68.05 -44.85 75.45 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.224 178.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.638 ' HG2' ' O ' ' A' ' 27' ' ' HIS . 8.5 pt20 -74.39 -21.56 59.59 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.462 179.063 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.478 ' HB2' ' O ' ' A' ' 28' ' ' LEU . 4.0 tt -72.68 -44.89 61.21 Favored 'General case' 0 N--CA 1.471 0.584 0 O-C-N 123.427 0.454 . . . . 0.0 110.68 179.079 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.3 mp -71.19 -35.72 71.67 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.597 178.678 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -72.08 -30.63 65.09 Favored Glycine 0 C--N 1.345 1.028 0 CA-C-N 115.73 -0.668 . . . . 0.0 112.889 178.592 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -81.25 -29.01 34.52 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 111.903 0.334 . . . . 0.0 111.903 179.539 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 47.0 mtt -80.8 -34.42 34.05 Favored 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 111.929 0.344 . . . . 0.0 111.929 179.794 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 8.9 t80 -81.21 -43.43 19.28 Favored 'General case' 0 N--CA 1.469 0.482 0 O-C-N 123.303 0.377 . . . . 0.0 111.646 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 53.2 m -86.78 -18.13 31.82 Favored 'General case' 0 N--CA 1.469 0.516 0 O-C-N 123.584 0.552 . . . . 0.0 112.307 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 72.1 m-70 62.29 108.98 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 123.762 0.825 . . . . 0.0 111.631 -179.623 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.408 ' CB ' HD12 ' A' ' 43' ' ' LEU . 7.6 m-20 -139.99 157.11 46.19 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.048 -179.653 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -103.79 -40.19 6.35 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.446 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.86 -37.02 83.64 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 112.523 0.564 . . . . 0.0 112.523 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.463 ' O ' ' HB2' ' A' ' 47' ' ' LEU . 11.7 mt -70.9 -28.42 64.52 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 115.997 -0.547 . . . . 0.0 112.038 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -73.76 -37.36 65.05 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 122.646 0.378 . . . . 0.0 111.183 179.424 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 13.9 tt0 -71.13 -41.47 70.45 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.59 179.281 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 42.2 p -69.1 -34.47 75.15 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.105 178.706 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.463 ' HB2' ' O ' ' A' ' 43' ' ' LEU . 2.2 tt -70.77 -34.47 71.84 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.316 179.24 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 54.0 mt-30 -72.51 -39.88 67.27 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 116.059 -0.518 . . . . 0.0 111.648 179.516 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -71.61 -36.89 62.11 Favored Glycine 0 C--N 1.343 0.946 0 CA-C-N 116.096 -0.502 . . . . 0.0 112.789 179.296 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -73.45 -35.38 65.75 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 122.88 0.472 . . . . 0.0 111.342 179.403 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.429 ' O ' HG12 ' A' ' 54' ' ' VAL . 2.6 tt -72.23 -36.39 69.1 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.267 179.535 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -73.81 -35.21 64.85 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.115 179.191 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 18.1 p -73.44 -33.76 65.08 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.532 178.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.429 HG12 ' O ' ' A' ' 51' ' ' LEU . 6.9 p -74.96 -34.24 31.99 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.747 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.613 179.366 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 75.8 mttt -72.53 -35.63 68.12 Favored 'General case' 0 N--CA 1.47 0.542 0 O-C-N 123.466 0.479 . . . . 0.0 111.052 178.759 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -72.67 -34.82 67.48 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.082 178.823 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 16.3 p -72.64 -36.0 67.9 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.399 179.007 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 24.5 mt -71.95 -36.49 69.89 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.957 179.056 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.452 ' O ' ' HB2' ' A' ' 63' ' ' LEU . 46.5 mt-30 -69.47 -37.92 77.48 Favored 'General case' 0 N--CA 1.472 0.642 0 O-C-N 123.515 0.51 . . . . 0.0 110.826 178.558 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.505 ' O ' ' HG2' ' A' ' 64' ' ' GLN . . . -69.42 -33.47 73.03 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.926 178.847 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 24.8 mmm -67.93 -45.19 75.0 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.525 179.035 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.423 ' H ' HG13 ' A' ' 62' ' ' ILE . 2.1 pp -75.75 -21.05 15.79 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.767 179.423 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.452 ' HB2' ' O ' ' A' ' 59' ' ' GLN . 2.5 tt -79.29 -34.11 42.73 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.374 179.398 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.505 ' HG2' ' O ' ' A' ' 60' ' ' ALA . 11.3 pt20 -85.29 -32.19 22.66 Favored 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 111.994 0.368 . . . . 0.0 111.994 179.77 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 16.2 mt . . . . . 0 N--CA 1.471 0.583 0 N-CA-C 112.002 0.371 . . . . 0.0 112.002 -179.932 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 . . . . . 0 N--CA 1.47 0.542 0 CA-C-O 120.486 0.184 . . . . 0.0 110.954 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -76.81 -29.54 56.01 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.602 179.578 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 13.6 mt -83.43 -26.57 30.25 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.788 179.789 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -71.12 -43.66 67.17 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.771 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -64.87 -39.68 93.92 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 122.947 0.499 . . . . 0.0 111.692 179.447 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 58.9 mttp -74.45 -31.02 62.11 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.662 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -71.55 -38.22 71.04 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.577 179.523 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -75.71 -35.9 60.15 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.433 179.321 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' SER . . . . . 0.455 ' O ' ' HG3' ' A' ' 112' ' ' GLU . 16.4 t -70.24 -42.07 72.69 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.134 179.294 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 20.9 mt -72.31 -33.63 67.51 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 115.932 -0.577 . . . . 0.0 111.12 179.4 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -69.67 -34.76 74.42 Favored 'General case' 0 N--CA 1.47 0.525 0 O-C-N 123.401 0.438 . . . . 0.0 110.845 178.542 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -74.79 -29.96 61.28 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.52 178.487 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.455 ' HG3' ' O ' ' A' ' 108' ' ' SER . 42.2 mt-10 -71.47 -38.26 71.25 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.381 178.727 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 12.1 mt -75.2 -34.11 30.35 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.189 179.077 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 54.0 mt-30 -73.96 -32.52 63.51 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.951 178.715 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -73.64 -36.22 65.39 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.783 178.649 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.666 ' O ' HG12 ' A' ' 120' ' ' ILE . 13.5 mt -68.8 -41.6 78.45 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.93 178.68 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -68.2 -37.2 80.67 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.184 179.22 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -68.97 -33.84 74.35 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.082 178.898 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.554 ' O ' HG22 ' A' ' 123' ' ' VAL . 15.2 mt -70.75 -38.15 73.48 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.517 179.416 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 120' ' ' ILE . . . . . 0.666 HG12 ' O ' ' A' ' 116' ' ' LEU . 31.1 mm -70.3 -36.29 66.54 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 O-C-N 123.32 0.387 . . . . 0.0 110.223 178.771 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -72.77 -29.34 63.22 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.552 179.177 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -75.94 -38.18 57.89 Favored 'General case' 0 N--CA 1.47 0.568 0 O-C-N 123.269 0.356 . . . . 0.0 111.575 179.433 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.554 HG22 ' O ' ' A' ' 119' ' ' LEU . 4.7 m -74.33 -33.42 33.92 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 O-C-N 123.246 0.341 . . . . 0.0 110.938 178.92 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 36.5 ttt180 -71.23 -39.86 71.41 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.824 178.668 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -74.21 -30.68 62.31 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 115.875 -0.602 . . . . 0.0 112.021 179.518 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.6 0 N-CA-C 112.179 0.436 . . . . 0.0 112.179 179.98 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 5.6 m . . . . . 0 N--CA 1.473 0.702 0 N-CA-C 112.281 0.474 . . . . 0.0 112.281 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 53.2 m -95.86 -30.9 13.41 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.686 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -91.15 -15.68 28.98 Favored 'General case' 0 N--CA 1.468 0.445 0 N-CA-C 112.248 0.462 . . . . 0.0 112.248 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -91.01 -22.32 20.84 Favored 'General case' 0 N--CA 1.468 0.432 0 O-C-N 123.279 0.362 . . . . 0.0 111.767 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.6 m -77.33 -39.67 28.36 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 N-CA-C 112.42 0.526 . . . . 0.0 112.42 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -66.07 -38.88 94.43 Favored Glycine 0 C--N 1.342 0.888 0 O-C-N 123.411 0.444 . . . . 0.0 113.681 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -73.21 -37.26 66.5 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 122.56 0.344 . . . . 0.0 111.517 179.765 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -71.55 -35.45 70.63 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.129 179.326 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 95.7 m -71.97 -36.4 69.8 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 178.848 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.542 ' O ' HG22 ' A' ' 23' ' ' VAL . 40.4 mt-10 -70.46 -33.25 71.07 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.76 178.774 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -73.13 -44.01 60.8 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 123.411 0.445 . . . . 0.0 111.792 179.744 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.404 ' O ' ' HB2' ' A' ' 25' ' ' LEU . 1.6 mp -71.71 -27.21 27.41 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.709 0 CA-C-N 116.248 -0.433 . . . . 0.0 109.836 178.191 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -70.48 -43.98 59.8 Favored Glycine 0 C--N 1.347 1.179 0 CA-C-N 115.967 -0.56 . . . . 0.0 112.422 178.75 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.542 HG22 ' O ' ' A' ' 19' ' ' GLU . 4.4 m -71.15 -35.05 56.97 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 CA-C-O 120.838 0.351 . . . . 0.0 110.983 178.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 58.4 mttp -70.71 -33.6 71.03 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.864 178.542 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.427 ' O ' ' HG3' ' A' ' 29' ' ' GLU . 5.3 tp -69.47 -40.65 76.98 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.987 179.189 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 14.0 mt -68.24 -39.33 82.3 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.241 179.102 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 27.7 m80 -70.63 -32.26 69.52 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.246 178.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.486 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 16.7 mt -74.84 -30.84 61.5 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.193 178.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.427 ' HG3' ' O ' ' A' ' 25' ' ' LEU . 42.7 mt-10 -70.77 -45.33 64.95 Favored 'General case' 0 N--CA 1.471 0.597 0 O-C-N 123.362 0.414 . . . . 0.0 110.786 179.106 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -66.98 -37.84 84.97 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.611 178.657 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 -74.36 -22.81 59.04 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.169 178.549 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.486 ' HB2' ' O ' ' A' ' 28' ' ' LEU . 3.6 tt -72.54 -45.94 56.91 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 122.87 0.468 . . . . 0.0 110.619 179.229 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.458 ' O ' ' HD2' ' A' ' 37' ' ' TYR . 5.1 mp -69.83 -37.67 76.29 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.485 178.582 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -70.35 -28.59 71.1 Favored Glycine 0 C--N 1.345 1.049 0 CA-C-N 115.651 -0.704 . . . . 0.0 112.771 178.821 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -81.09 -31.24 34.45 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 122.601 0.36 . . . . 0.0 111.753 179.264 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 47.8 mtt -78.15 -30.74 49.38 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 116.139 -0.482 . . . . 0.0 112.253 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.458 ' HD2' ' O ' ' A' ' 33' ' ' LEU . 12.9 m-85 -79.1 -40.78 30.23 Favored 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 112.014 0.376 . . . . 0.0 112.014 179.654 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 82.9 p -86.85 -19.83 28.38 Favored 'General case' 0 N--CA 1.47 0.57 0 O-C-N 123.334 0.396 . . . . 0.0 112.008 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 71.2 m-70 63.39 110.62 0.03 OUTLIER 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 123.958 0.903 . . . . 0.0 111.649 -179.593 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -138.13 169.5 17.68 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.937 -179.727 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -115.84 -40.3 3.36 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.424 179.759 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.83 -30.73 70.99 Favored 'General case' 0 N--CA 1.474 0.76 0 N-CA-C 112.755 0.65 . . . . 0.0 112.755 -179.767 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.451 ' O ' ' HB2' ' A' ' 47' ' ' LEU . 2.0 mt -69.15 -28.28 66.29 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 112.426 0.528 . . . . 0.0 112.426 -179.783 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 53.8 m-85 -74.04 -35.45 64.31 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 122.516 0.326 . . . . 0.0 111.355 179.177 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 55.4 mt-30 -71.94 -41.56 67.65 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.772 179.163 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 51.2 m -69.1 -34.1 74.56 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.818 178.541 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.451 ' HB2' ' O ' ' A' ' 43' ' ' LEU . 2.3 tt -70.74 -34.68 72.13 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.104 179.174 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 53.5 mt-30 -72.18 -38.51 69.07 Favored 'General case' 0 N--CA 1.473 0.712 0 O-C-N 123.568 0.542 . . . . 0.0 111.335 179.293 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -71.61 -36.07 62.41 Favored Glycine 0 C--N 1.344 0.998 0 CA-C-N 116.024 -0.535 . . . . 0.0 112.424 179.169 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.485 ' O ' HG22 ' A' ' 54' ' ' VAL . 43.2 mt-10 -72.66 -35.57 67.75 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 122.907 0.483 . . . . 0.0 110.978 179.15 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.0 tp -71.66 -35.05 70.22 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.992 179.322 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 54.7 mt-30 -74.47 -32.93 62.75 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.973 179.062 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 18.3 p -73.05 -36.47 66.91 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.659 179.151 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.485 HG22 ' O ' ' A' ' 50' ' ' GLU . 11.9 m -74.42 -34.19 35.49 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.846 178.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -69.49 -36.92 76.98 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.794 178.365 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -72.67 -34.37 67.16 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.162 178.81 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 14.3 p -73.36 -33.7 65.21 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.31 178.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 20.6 mt -72.99 -37.22 67.08 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.886 179.055 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.473 ' O ' HG13 ' A' ' 62' ' ' ILE . 13.7 tt0 -69.44 -38.6 77.9 Favored 'General case' 0 N--CA 1.47 0.566 0 O-C-N 123.536 0.523 . . . . 0.0 110.292 178.539 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.427 ' O ' ' HB2' ' A' ' 64' ' ' GLN . . . -69.95 -30.7 68.15 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.95 178.608 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 37.3 mmm -70.32 -43.44 70.31 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 115.822 -0.627 . . . . 0.0 111.529 178.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.473 HG13 ' O ' ' A' ' 59' ' ' GLN . 1.4 pt -75.56 -25.13 17.45 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 O-C-N 123.47 0.481 . . . . 0.0 112.073 179.507 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 2.6 tt -85.31 -24.94 27.47 Favored 'General case' 0 N--CA 1.469 0.51 0 O-C-N 123.435 0.46 . . . . 0.0 111.388 179.543 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.427 ' HB2' ' O ' ' A' ' 60' ' ' ALA . 5.1 tt0 -91.6 -27.43 18.16 Favored 'General case' 0 N--CA 1.468 0.448 0 O-C-N 123.176 0.298 . . . . 0.0 111.776 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 22.6 mt . . . . . 0 N--CA 1.469 0.507 0 N-CA-C 111.95 0.352 . . . . 0.0 111.95 -179.749 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 . . . . . 0 N--CA 1.469 0.524 0 N-CA-C 111.882 0.327 . . . . 0.0 111.882 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -77.0 -31.1 56.21 Favored 'General case' 0 N--CA 1.471 0.585 0 N-CA-C 112.32 0.489 . . . . 0.0 112.32 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 13.6 mt -86.33 -26.77 24.69 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.955 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -73.43 -38.32 65.58 Favored 'General case' 0 N--CA 1.472 0.649 0 O-C-N 123.381 0.426 . . . . 0.0 111.915 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -64.67 -40.2 95.01 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.692 179.528 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -78.23 -31.45 49.3 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.474 179.791 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -71.75 -41.02 68.94 Favored 'General case' 0 N--CA 1.47 0.551 0 O-C-N 123.276 0.36 . . . . 0.0 111.383 179.336 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -75.97 -35.33 59.69 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.847 179.582 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 16.5 t -70.2 -41.98 72.95 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 123.299 0.374 . . . . 0.0 111.126 179.457 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 3.7 mp -72.71 -34.92 67.45 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.33 179.464 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -69.3 -34.99 75.54 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.104 178.901 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -74.79 -31.74 61.82 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.81 178.873 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -73.29 -32.66 64.77 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.522 178.799 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 23.8 mt -78.82 -33.12 16.16 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 178.735 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 -70.38 -35.84 73.75 Favored 'General case' 0 N--CA 1.473 0.684 0 O-C-N 123.367 0.417 . . . . 0.0 110.614 178.548 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 12.4 t80 -75.43 -36.03 60.84 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.83 178.265 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.656 ' O ' HG12 ' A' ' 120' ' ' ILE . 13.1 tp -69.46 -42.23 75.19 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.57 178.916 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -69.32 -34.9 75.35 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.954 179.155 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -68.64 -34.37 75.61 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.68 178.604 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.607 ' O ' HG23 ' A' ' 123' ' ' VAL . 16.9 mt -69.65 -40.56 76.39 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.336 179.054 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 120' ' ' ILE . . . . . 0.656 HG12 ' O ' ' A' ' 116' ' ' LEU . 22.7 mm -67.4 -35.87 74.82 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 O-C-N 123.346 0.404 . . . . 0.0 110.317 178.846 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -72.56 -30.2 64.22 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.427 179.211 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -76.06 -33.85 59.59 Favored 'General case' 0 N--CA 1.471 0.596 0 O-C-N 123.445 0.465 . . . . 0.0 111.832 179.504 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.607 HG23 ' O ' ' A' ' 119' ' ' LEU . 38.2 t -77.58 -33.9 19.79 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 178.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 74.7 mtp180 -71.09 -38.27 72.41 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.275 178.723 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -74.23 -38.82 63.42 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.883 179.444 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.497 0 CA-C-N 116.127 -0.488 . . . . 0.0 112.136 -179.914 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 3.1 m . . . . . 0 N--CA 1.472 0.63 0 CA-C-O 120.64 0.257 . . . . 0.0 111.153 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 71.4 m -85.76 -18.99 31.44 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.91 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -95.78 -16.83 21.64 Favored 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 112.149 0.425 . . . . 0.0 112.149 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -92.49 -22.34 19.63 Favored 'General case' 0 N--CA 1.469 0.516 0 O-C-N 123.266 0.354 . . . . 0.0 111.832 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.5 m -75.61 -39.46 39.82 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 N-CA-C 112.646 0.61 . . . . 0.0 112.646 -179.552 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -65.29 -40.35 96.54 Favored Glycine 0 C--N 1.342 0.887 0 CA-C-N 116.312 -0.404 . . . . 0.0 113.768 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -75.87 -35.53 59.85 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 122.425 0.29 . . . . 0.0 111.692 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -73.88 -34.54 64.49 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.194 179.35 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.425 ' HB3' ' NH2' ' A' ' 124' ' ' ARG . 78.8 m -74.38 -36.09 63.53 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.651 178.89 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.567 ' O ' HG22 ' A' ' 23' ' ' VAL . 9.2 tt0 -70.13 -35.5 74.12 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.163 178.861 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -73.03 -39.79 65.66 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.736 179.51 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.496 ' O ' ' HB2' ' A' ' 25' ' ' LEU . 1.2 mp -72.26 -27.43 26.59 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.66 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.062 178.36 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -71.99 -45.21 43.0 Favored Glycine 0 C--N 1.346 1.134 0 O-C-N 123.49 0.493 . . . . 0.0 112.584 178.83 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.567 HG22 ' O ' ' A' ' 19' ' ' GLU . 3.3 m -71.06 -35.28 58.35 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 CA-C-O 120.715 0.293 . . . . 0.0 111.305 179.355 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -71.49 -33.61 69.42 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.963 178.925 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.496 ' HB2' ' O ' ' A' ' 21' ' ' ILE . 2.6 tt -69.61 -39.99 76.89 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 179.23 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 13.7 mt -67.85 -39.82 83.77 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.087 178.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 27.3 m80 -69.85 -33.1 71.83 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.4 178.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.457 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 23.9 mt -74.88 -29.53 61.04 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.239 178.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.428 ' HG3' ' O ' ' A' ' 25' ' ' LEU . 45.0 mt-10 -72.0 -42.29 66.61 Favored 'General case' 0 N--CA 1.473 0.682 0 O-C-N 123.414 0.446 . . . . 0.0 110.884 178.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -69.79 -37.12 76.2 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.91 178.724 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 53.9 mt-30 -74.31 -26.16 60.0 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.322 178.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.457 ' HB2' ' O ' ' A' ' 28' ' ' LEU . 4.5 tt -73.64 -42.99 60.69 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.63 179.328 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.457 ' O ' ' HD2' ' A' ' 37' ' ' TYR . 8.7 mt -70.07 -37.66 75.54 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.766 178.853 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -71.97 -30.05 66.15 Favored Glycine 0 C--N 1.343 0.949 0 CA-C-N 115.716 -0.674 . . . . 0.0 112.587 178.807 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -81.08 -26.56 36.17 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 122.661 0.384 . . . . 0.0 111.708 179.107 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 37.3 mtt -79.84 -37.13 35.66 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 112.141 0.423 . . . . 0.0 112.141 179.652 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.457 ' HD2' ' O ' ' A' ' 33' ' ' LEU . 35.2 m-85 -81.18 -39.22 25.82 Favored 'General case' 0 N--CA 1.471 0.598 0 O-C-N 123.272 0.357 . . . . 0.0 111.901 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 14.2 t -86.58 -23.08 25.91 Favored 'General case' 0 N--CA 1.47 0.536 0 O-C-N 123.442 0.463 . . . . 0.0 111.817 179.769 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 71.3 m-70 62.25 108.88 0.02 OUTLIER 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 123.96 0.904 . . . . 0.0 111.856 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -142.76 157.8 44.28 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.9 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -98.52 -39.42 8.74 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.591 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.69 -39.32 88.05 Favored 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 112.522 0.564 . . . . 0.0 112.522 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 6.5 mp -70.16 -28.74 65.57 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-N 116.013 -0.54 . . . . 0.0 112.083 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -70.79 -37.92 73.34 Favored 'General case' 0 N--CA 1.471 0.596 0 O-C-N 123.302 0.376 . . . . 0.0 110.802 179.326 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 -72.01 -36.58 69.77 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.536 178.925 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 53.3 m -69.22 -37.26 77.96 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.361 178.589 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 20.2 mt -70.87 -36.36 72.76 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.871 179.411 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 11.9 tt0 -71.94 -39.37 69.46 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.47 179.79 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -71.78 -39.04 60.46 Favored Glycine 0 C--N 1.343 0.937 0 CA-C-N 116.073 -0.512 . . . . 0.0 112.9 179.571 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.502 ' O ' HG22 ' A' ' 54' ' ' VAL . 43.8 mt-10 -71.94 -35.67 69.67 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 122.767 0.427 . . . . 0.0 111.343 179.579 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.7 tt -72.35 -35.2 68.47 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.89 179.339 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 4.3 tp60 -74.85 -30.95 61.51 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.035 179.181 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 16.6 p -74.84 -36.64 62.38 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.578 179.082 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.502 HG22 ' O ' ' A' ' 50' ' ' GLU . 12.0 m -74.54 -33.96 34.01 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 O-C-N 123.315 0.385 . . . . 0.0 110.821 178.908 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 33.6 tttm -71.3 -37.25 71.83 Favored 'General case' 0 C--N 1.347 0.491 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.699 178.714 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -72.87 -33.56 66.17 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.082 178.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 12.0 p -73.76 -33.44 64.29 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.276 178.858 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 6.8 tp -72.86 -38.38 67.07 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.534 179.181 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.501 ' O ' HG13 ' A' ' 62' ' ' ILE . 54.8 mt-30 -69.38 -37.67 77.67 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.602 178.565 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.456 ' O ' ' HB2' ' A' ' 64' ' ' GLN . . . -70.09 -31.49 69.09 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.028 178.612 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 65.8 mmm -70.52 -42.43 71.26 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.506 179.013 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.501 HG13 ' O ' ' A' ' 59' ' ' GLN . 1.2 pt -75.48 -25.05 17.52 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 O-C-N 123.461 0.476 . . . . 0.0 111.751 179.082 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.6 tp -85.13 -23.37 28.47 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.162 179.149 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.456 ' HB2' ' O ' ' A' ' 60' ' ' ALA . 6.2 tt0 -87.66 -33.11 18.9 Favored 'General case' 0 N--CA 1.469 0.512 0 O-C-N 123.41 0.444 . . . . 0.0 111.273 179.581 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 11.4 mt . . . . . 0 N--CA 1.47 0.531 0 O-C-N 123.425 0.453 . . . . 0.0 111.363 179.809 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 . . . . . 0 N--CA 1.466 0.356 0 CA-C-O 120.341 0.115 . . . . 0.0 110.954 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -76.81 -29.8 56.13 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 122.846 0.458 . . . . 0.0 112.016 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 25.3 mt -83.72 -26.77 29.48 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.83 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -74.88 -38.39 61.91 Favored 'General case' 0 N--CA 1.473 0.691 0 O-C-N 123.294 0.371 . . . . 0.0 111.758 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -64.56 -40.69 96.02 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 122.889 0.476 . . . . 0.0 111.758 179.61 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -77.03 -35.55 56.84 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.543 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -71.55 -38.93 70.95 Favored 'General case' 0 N--CA 1.47 0.555 0 O-C-N 123.473 0.483 . . . . 0.0 111.575 179.285 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -75.84 -32.84 59.97 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.749 179.414 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 44.7 p -71.28 -41.88 69.43 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.328 179.318 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 19.2 mt -73.25 -34.91 66.1 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.265 179.459 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -70.3 -34.78 73.14 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.244 179.107 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -75.53 -31.33 60.05 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.916 178.774 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -73.56 -33.48 64.7 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.491 178.773 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 27.7 mt -78.89 -33.13 15.99 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 O-C-N 123.289 0.368 . . . . 0.0 110.061 178.803 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 50.5 mt-30 -69.97 -36.05 74.91 Favored 'General case' 0 N--CA 1.471 0.596 0 O-C-N 123.369 0.418 . . . . 0.0 110.481 178.195 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -75.0 -35.86 61.98 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.992 178.592 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 11.6 tp -69.09 -35.89 76.98 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 115.43 -0.804 . . . . 0.0 110.654 178.754 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 92.3 mttt -72.5 -38.28 68.17 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.981 179.061 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -69.1 -31.77 70.73 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.217 178.277 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.589 ' O ' HG22 ' A' ' 123' ' ' VAL . 17.0 mt -71.11 -43.79 66.95 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.432 179.478 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 1.8 pp -69.54 -33.49 57.22 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.825 0 O-C-N 123.283 0.364 . . . . 0.0 111.164 179.15 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -72.98 -31.59 64.63 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.633 179.02 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -74.62 -37.13 62.9 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.699 179.592 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.589 HG22 ' O ' ' A' ' 119' ' ' LEU . 2.8 m -74.55 -34.05 34.2 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 O-C-N 123.346 0.404 . . . . 0.0 111.146 178.572 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 124' ' ' ARG . . . . . 0.425 ' NH2' ' HB3' ' A' ' 18' ' ' CYS . 97.9 mtt180 -71.1 -38.22 72.38 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.358 178.622 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -74.29 -36.4 63.76 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.936 179.767 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.494 0 N-CA-C 112.284 0.475 . . . . 0.0 112.284 -179.914 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 4.8 m . . . . . 0 N--CA 1.474 0.731 0 N-CA-C 112.079 0.399 . . . . 0.0 112.079 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 53.1 m -92.88 -15.77 26.02 Favored 'General case' 0 N--CA 1.467 0.397 0 O-C-N 123.435 0.459 . . . . 0.0 112.022 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -96.69 -25.86 15.39 Favored 'General case' 0 N--CA 1.467 0.392 0 N-CA-C 112.214 0.45 . . . . 0.0 112.214 -179.63 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -87.24 -22.21 25.36 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 112.22 0.452 . . . . 0.0 112.22 -179.659 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.1 m -72.54 -39.5 61.78 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 N-CA-C 112.546 0.573 . . . . 0.0 112.546 -179.692 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -64.08 -40.37 98.06 Favored Glycine 0 C--N 1.342 0.869 0 O-C-N 123.543 0.527 . . . . 0.0 113.728 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -75.38 -34.68 61.12 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 122.459 0.304 . . . . 0.0 111.403 179.808 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -74.24 -33.91 63.48 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.977 179.018 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.519 ' SG ' ' HD2' ' A' ' 124' ' ' ARG . 42.6 t -72.66 -38.51 67.61 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.839 178.822 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.571 ' O ' HG22 ' A' ' 23' ' ' VAL . 41.9 mt-10 -70.17 -37.2 75.11 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.645 179.25 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.415 ' O ' ' HB2' ' A' ' 24' ' ' LYS . . . -73.43 -36.61 65.96 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.642 179.601 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.416 HG22 ' O ' ' A' ' 18' ' ' CYS . 1.4 tp -73.69 -27.51 23.13 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.797 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.283 178.906 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -73.4 -45.09 31.36 Favored Glycine 0 C--N 1.347 1.145 0 CA-C-N 115.724 -0.671 . . . . 0.0 112.399 178.801 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.571 HG22 ' O ' ' A' ' 19' ' ' GLU . 3.2 m -71.3 -32.18 46.2 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.925 0 CA-C-O 120.744 0.307 . . . . 0.0 111.051 178.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.415 ' HB2' ' O ' ' A' ' 20' ' ' ALA . 47.4 tttt -73.11 -33.69 65.71 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.665 178.735 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.423 ' O ' ' HG3' ' A' ' 29' ' ' GLU . 6.7 tp -70.13 -40.56 74.77 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.029 178.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.8 mt -69.01 -39.66 79.17 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.269 179.303 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 10.6 t-80 -70.21 -31.78 69.37 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.745 178.864 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.463 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 2.7 tt -74.9 -30.64 61.35 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.94 179.118 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.423 ' HG3' ' O ' ' A' ' 25' ' ' LEU . 42.5 mt-10 -72.38 -41.67 66.08 Favored 'General case' 0 N--CA 1.473 0.678 0 O-C-N 123.516 0.51 . . . . 0.0 111.0 179.133 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -69.9 -37.24 75.92 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.937 178.67 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 12.9 tt0 -74.05 -27.19 60.8 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.965 179.136 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.463 ' HB2' ' O ' ' A' ' 28' ' ' LEU . 3.4 tt -74.7 -39.25 62.07 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.703 179.271 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.448 ' O ' ' HD1' ' A' ' 37' ' ' TYR . 4.7 tp -70.2 -39.94 74.88 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.607 179.139 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -72.09 -31.7 63.88 Favored Glycine 0 C--N 1.343 0.958 0 CA-C-N 115.669 -0.696 . . . . 0.0 113.007 179.078 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -81.24 -26.02 36.17 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 112.238 0.458 . . . . 0.0 112.238 179.635 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 16.8 mmt -82.92 -36.32 25.36 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 112.074 0.398 . . . . 0.0 112.074 -179.796 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.448 ' HD1' ' O ' ' A' ' 33' ' ' LEU . 29.7 m-85 -81.17 -35.39 31.5 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 112.087 0.403 . . . . 0.0 112.087 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 53.9 m -86.59 -27.23 24.01 Favored 'General case' 0 N--CA 1.469 0.48 0 O-C-N 123.373 0.42 . . . . 0.0 111.854 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 67.0 m80 61.53 110.14 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 123.854 0.862 . . . . 0.0 111.917 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -143.41 162.36 35.97 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.808 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -96.67 -41.24 8.6 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.677 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.81 -37.8 85.23 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 112.725 0.639 . . . . 0.0 112.725 -179.739 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.463 ' O ' ' HB2' ' A' ' 47' ' ' LEU . 6.4 mp -72.04 -28.54 63.42 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 112.363 0.505 . . . . 0.0 112.363 -179.639 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -73.46 -36.62 65.89 Favored 'General case' 0 N--CA 1.473 0.688 0 O-C-N 123.217 0.323 . . . . 0.0 111.411 179.426 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 54.4 mt-30 -72.64 -40.85 66.08 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.459 179.057 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 16.2 t -69.03 -35.79 77.02 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.802 178.612 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.463 ' HB2' ' O ' ' A' ' 43' ' ' LEU . 2.9 tt -70.76 -33.89 71.27 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.259 179.204 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.3 tp-100 -69.92 -43.58 71.38 Favored 'General case' 0 N--CA 1.472 0.66 0 O-C-N 123.443 0.465 . . . . 0.0 111.024 179.554 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -70.73 -37.77 66.83 Favored Glycine 0 C--N 1.343 0.942 0 CA-C-N 116.032 -0.531 . . . . 0.0 112.511 179.046 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.632 ' O ' HG23 ' A' ' 54' ' ' VAL . 39.5 mt-10 -71.13 -35.84 71.88 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 122.679 0.392 . . . . 0.0 111.203 179.321 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.418 ' HB2' ' O ' ' A' ' 47' ' ' LEU . 4.8 tp -70.81 -35.12 72.37 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.813 179.26 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 11.8 mm100 -72.5 -33.13 66.72 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.294 179.022 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 19.8 p -74.66 -35.5 62.83 Favored 'General case' 0 N--CA 1.473 0.688 0 O-C-N 123.389 0.43 . . . . 0.0 111.535 179.121 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.632 HG23 ' O ' ' A' ' 50' ' ' GLU . 71.7 t -74.11 -34.19 37.61 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.306 179.039 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 55.9 tttt -72.97 -37.22 67.14 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.929 179.287 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -73.05 -33.17 65.53 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.345 179.09 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.499 ' O ' ' HB2' ' A' ' 61' ' ' MET . 16.9 p -75.74 -33.22 60.24 Favored 'General case' 0 N--CA 1.472 0.647 0 O-C-N 123.501 0.501 . . . . 0.0 111.309 179.089 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -73.78 -37.01 65.11 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.522 179.03 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.457 ' O ' HG13 ' A' ' 62' ' ' ILE . 54.7 mt-30 -69.88 -41.35 74.88 Favored 'General case' 0 N--CA 1.471 0.583 0 O-C-N 123.557 0.536 . . . . 0.0 111.003 178.824 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -70.24 -30.32 67.35 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.295 178.913 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' MET . . . . . 0.573 ' O ' ' HB2' ' A' ' 65' ' ' LEU . 1.0 OUTLIER -73.6 -40.88 63.52 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.317 179.421 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.457 HG13 ' O ' ' A' ' 59' ' ' GLN . 2.2 pp -75.28 -27.1 19.19 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.564 179.781 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 2.9 tt -81.7 -29.78 32.85 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.706 178.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -90.94 -15.16 30.23 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.239 179.236 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.573 ' HB2' ' O ' ' A' ' 61' ' ' MET . 1.8 tt . . . . . 0 N--CA 1.473 0.68 0 C-N-CA 122.74 0.416 . . . . 0.0 111.672 179.651 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 . . . . . 0 N--CA 1.47 0.548 0 N-CA-C 112.269 0.47 . . . . 0.0 112.269 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -67.98 -39.45 83.3 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 112.753 0.649 . . . . 0.0 112.753 -179.434 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.437 ' H ' HD23 ' A' ' 102' ' ' LEU . 0.3 OUTLIER -86.59 -27.58 23.81 Favored 'General case' 0 N--CA 1.471 0.618 0 O-C-N 123.361 0.413 . . . . 0.0 112.091 179.898 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -74.52 -41.0 61.4 Favored 'General case' 0 N--CA 1.471 0.617 0 O-C-N 123.247 0.342 . . . . 0.0 111.884 -179.799 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -64.67 -37.55 87.98 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.642 179.49 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 66.2 mttm -76.23 -36.74 58.4 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.596 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -71.43 -37.43 71.45 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.596 179.375 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -75.81 -33.67 60.13 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.627 179.277 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 57.7 m -71.63 -38.4 70.76 Favored 'General case' 0 N--CA 1.471 0.586 0 O-C-N 123.262 0.351 . . . . 0.0 111.366 179.248 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 21.9 mt -73.2 -37.91 66.3 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.226 179.22 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -69.64 -33.88 73.24 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.346 179.307 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' LYS . . . . . 0.479 ' O ' ' HD1' ' A' ' 115' ' ' TYR . 92.8 mttt -75.27 -32.93 61.19 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.006 178.831 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.523 ' O ' ' HB2' ' A' ' 116' ' ' LEU . 41.9 mt-10 -73.35 -32.13 64.36 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.466 178.873 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 28.4 mt -78.42 -32.97 16.9 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 O-C-N 123.366 0.417 . . . . 0.0 109.911 178.483 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -67.39 -41.02 85.66 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.277 178.449 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 115' ' ' TYR . . . . . 0.479 ' HD1' ' O ' ' A' ' 111' ' ' LYS . 13.5 m-85 -72.24 -35.41 68.8 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.189 178.115 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.523 ' HB2' ' O ' ' A' ' 112' ' ' GLU . 2.7 tp -66.34 -37.51 85.5 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 115.186 -0.915 . . . . 0.0 111.04 178.841 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 117' ' ' LYS . . . . . 0.528 ' O ' HG13 ' A' ' 120' ' ' ILE . 93.8 mttt -72.24 -38.84 68.83 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.027 179.427 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -68.88 -31.16 69.9 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.314 178.487 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.591 ' O ' HG22 ' A' ' 123' ' ' VAL . 13.1 mt -71.71 -43.76 65.34 Favored 'General case' 0 C--O 1.238 0.485 0 O-C-N 123.342 0.401 . . . . 0.0 111.42 179.545 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 120' ' ' ILE . . . . . 0.528 HG13 ' O ' ' A' ' 117' ' ' LYS . 1.1 pt -70.07 -32.95 53.03 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.359 178.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -72.86 -31.38 64.69 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.566 178.908 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -73.7 -39.3 64.45 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.635 179.421 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.591 HG22 ' O ' ' A' ' 119' ' ' LEU . 2.3 m -73.63 -33.05 37.66 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 O-C-N 123.299 0.374 . . . . 0.0 111.233 178.626 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 124' ' ' ARG . . . . . 0.519 ' HD2' ' SG ' ' A' ' 18' ' ' CYS . 71.4 mtp180 -70.65 -37.85 73.78 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.195 178.461 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -74.22 -34.21 63.61 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.619 179.256 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.465 0 CA-C-N 116.074 -0.512 . . . . 0.0 112.266 -179.977 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 3.2 m . . . . . 0 N--CA 1.47 0.563 0 CA-C-O 120.557 0.217 . . . . 0.0 111.405 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 67.5 m -82.62 -15.52 51.83 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 115.892 -0.595 . . . . 0.0 112.028 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -96.69 -16.13 21.09 Favored 'General case' 0 N--CA 1.466 0.355 0 O-C-N 123.351 0.407 . . . . 0.0 111.988 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -90.37 -22.27 21.57 Favored 'General case' 0 N--CA 1.471 0.598 0 O-C-N 123.334 0.397 . . . . 0.0 111.766 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.3 m -77.16 -37.65 26.3 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 N-CA-C 112.332 0.493 . . . . 0.0 112.332 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -58.92 -35.23 82.13 Favored Glycine 0 C--N 1.342 0.893 0 O-C-N 123.489 0.493 . . . . 0.0 113.694 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -76.87 -32.02 57.2 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 122.504 0.322 . . . . 0.0 111.218 179.46 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 58.7 mttp -75.61 -34.15 60.57 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.776 179.12 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.401 ' HA ' HG22 ' A' ' 21' ' ' ILE . 79.0 m -73.22 -39.81 65.21 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 115.833 -0.622 . . . . 0.0 110.754 178.819 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.568 ' O ' HG22 ' A' ' 23' ' ' VAL . 42.0 mt-10 -70.34 -35.02 73.34 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.379 179.091 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.93 -38.51 66.79 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.698 179.612 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.484 ' O ' ' HB2' ' A' ' 25' ' ' LEU . 3.7 tp -73.41 -27.5 23.78 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.804 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.339 178.828 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.21 -43.93 45.59 Favored Glycine 0 C--N 1.348 1.204 0 CA-C-N 115.855 -0.611 . . . . 0.0 112.321 178.54 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.568 HG22 ' O ' ' A' ' 19' ' ' GLU . 3.1 m -70.55 -36.08 64.32 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.866 0 CA-C-O 120.72 0.295 . . . . 0.0 111.077 178.936 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -70.15 -33.46 71.81 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.828 178.667 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.484 ' HB2' ' O ' ' A' ' 21' ' ' ILE . 2.9 tt -69.59 -39.69 77.15 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.853 179.22 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 14.2 mt -69.14 -37.94 78.55 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.391 179.123 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 22.3 m80 -71.75 -32.75 68.03 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.248 178.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.484 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 20.3 mt -74.97 -30.94 61.33 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.21 178.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -72.56 -40.78 66.4 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.873 179.154 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -69.74 -38.13 76.74 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.591 178.794 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -74.47 -25.43 59.39 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.401 178.827 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.484 ' HB2' ' O ' ' A' ' 28' ' ' LEU . 4.6 tt -73.24 -44.32 59.69 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.771 179.388 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 6.7 mt -71.71 -35.35 70.19 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.71 178.889 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -72.23 -29.98 65.69 Favored Glycine 0 C--N 1.345 1.035 0 CA-C-N 115.623 -0.717 . . . . 0.0 112.819 178.574 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -81.05 -31.18 34.61 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 122.585 0.354 . . . . 0.0 111.787 179.47 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 51.3 mtt -79.47 -32.52 42.62 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.913 179.695 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 9.0 t80 -81.21 -39.78 24.88 Favored 'General case' 0 N--CA 1.468 0.469 0 O-C-N 123.406 0.442 . . . . 0.0 111.445 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 14.7 t -86.62 -26.62 24.31 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.748 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 74.9 m-70 62.98 107.93 0.03 OUTLIER 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 123.846 0.858 . . . . 0.0 111.775 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -143.54 164.83 29.28 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.736 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -102.66 -41.91 6.08 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.624 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.99 -37.72 84.73 Favored 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 112.814 0.672 . . . . 0.0 112.814 -179.726 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.503 ' O ' ' HB2' ' A' ' 47' ' ' LEU . 6.3 mp -70.52 -28.79 65.21 Favored 'General case' 0 N--CA 1.472 0.657 0 N-CA-C 112.443 0.534 . . . . 0.0 112.443 -179.509 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -75.71 -34.5 60.38 Favored 'General case' 0 N--CA 1.472 0.636 0 O-C-N 123.266 0.353 . . . . 0.0 111.491 179.494 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -72.2 -42.43 65.82 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.647 179.209 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 51.5 m -69.15 -35.04 75.92 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.131 178.662 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.503 ' HB2' ' O ' ' A' ' 43' ' ' LEU . 4.7 tp -70.84 -33.95 71.18 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.604 179.208 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -73.18 -39.45 65.59 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.576 179.465 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -71.53 -37.77 62.09 Favored Glycine 0 C--N 1.342 0.892 0 O-C-N 123.506 0.504 . . . . 0.0 112.594 179.16 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.505 ' O ' HG22 ' A' ' 54' ' ' VAL . 43.2 mt-10 -72.36 -35.51 68.52 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 122.818 0.447 . . . . 0.0 111.151 179.316 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.423 ' HB2' ' O ' ' A' ' 47' ' ' LEU . 2.6 tt -71.67 -35.0 70.19 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.153 179.298 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -74.24 -33.37 63.3 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.085 179.12 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 19.8 p -73.03 -36.85 67.03 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.667 179.23 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.505 HG22 ' O ' ' A' ' 50' ' ' GLU . 15.0 m -74.96 -33.89 30.98 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.76 178.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 55.7 tttt -70.02 -35.98 74.74 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.751 178.699 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -72.77 -37.27 67.69 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.886 178.658 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 13.1 p -70.82 -34.58 71.85 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.117 178.784 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.581 ' O ' HG12 ' A' ' 62' ' ' ILE . 0.8 OUTLIER -71.02 -40.36 71.82 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.759 179.35 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 54.8 mt-30 -67.23 -35.68 80.07 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.481 178.819 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.497 ' O ' ' HB2' ' A' ' 64' ' ' GLN . . . -70.05 -31.17 68.67 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.87 178.224 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' MET . . . . . 0.528 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 13.9 ttt -68.87 -44.71 72.73 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.209 179.115 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.581 HG12 ' O ' ' A' ' 58' ' ' LEU . 1.9 mm -75.28 -25.11 17.83 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.939 0 O-C-N 123.284 0.365 . . . . 0.0 110.69 179.413 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.7 tp -83.74 -21.18 32.33 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.09 179.436 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.497 ' HB2' ' O ' ' A' ' 60' ' ' ALA . 11.5 tt0 -87.41 -36.98 17.44 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.183 179.547 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.528 ' HG ' ' O ' ' A' ' 61' ' ' MET . 0.8 OUTLIER . . . . . 0 C--O 1.238 0.485 0 CA-C-O 121.589 0.709 . . . . 0.0 110.641 179.674 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 . . . . . 0 N--CA 1.47 0.537 0 CA-C-O 120.451 0.167 . . . . 0.0 111.115 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -76.65 -29.73 56.54 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.744 179.525 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 15.2 mt -84.23 -26.62 28.55 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.724 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -71.96 -39.37 69.41 Favored 'General case' 0 N--CA 1.473 0.714 0 O-C-N 123.278 0.361 . . . . 0.0 111.852 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -64.69 -39.71 94.13 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 122.848 0.459 . . . . 0.0 111.691 179.657 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.441 ' HA ' ' HG ' ' A' ' 108' ' ' SER . 96.8 mttt -76.72 -33.19 58.18 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.675 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -71.47 -40.27 70.38 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 123.432 0.457 . . . . 0.0 111.583 179.483 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -75.97 -33.72 59.78 Favored 'General case' 0 N--CA 1.469 0.476 0 O-C-N 123.651 0.594 . . . . 0.0 111.672 179.394 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' SER . . . . . 0.441 ' HG ' ' HA ' ' A' ' 105' ' ' LYS . 50.5 p -71.02 -41.54 70.72 Favored 'General case' 0 N--CA 1.47 0.535 0 O-C-N 123.28 0.363 . . . . 0.0 111.291 179.404 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 22.7 mt -73.55 -35.11 65.45 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.28 179.446 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -69.31 -35.94 76.48 Favored 'General case' 0 N--CA 1.471 0.593 0 O-C-N 123.393 0.433 . . . . 0.0 111.257 179.196 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -74.98 -32.19 61.63 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.868 178.84 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.484 ' O ' ' HB2' ' A' ' 116' ' ' LEU . 40.3 mt-10 -73.58 -31.31 63.54 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.686 178.876 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 28.5 mt -80.06 -33.31 14.37 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 O-C-N 123.288 0.368 . . . . 0.0 110.068 178.782 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -69.71 -36.08 75.59 Favored 'General case' 0 N--CA 1.473 0.68 0 O-C-N 123.263 0.352 . . . . 0.0 110.241 178.158 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 12.6 t80 -75.26 -35.75 61.32 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-N 115.472 -0.785 . . . . 0.0 109.877 178.134 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.484 ' HB2' ' O ' ' A' ' 112' ' ' GLU . 5.1 tp -68.51 -38.93 81.36 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.946 178.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 117' ' ' LYS . . . . . 0.46 ' O ' HG13 ' A' ' 120' ' ' ILE . 94.7 mttt -71.9 -37.03 70.18 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.883 179.11 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 118' ' ' ASP . . . . . 0.513 ' O ' ' HB2' ' A' ' 122' ' ' GLU . 3.3 t70 -69.47 -31.14 69.23 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.982 178.331 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.603 ' O ' HG22 ' A' ' 123' ' ' VAL . 15.7 mt -71.34 -43.44 67.0 Favored 'General case' 0 C--N 1.347 0.489 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.36 179.439 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 120' ' ' ILE . . . . . 0.46 HG13 ' O ' ' A' ' 117' ' ' LYS . 1.4 pp -70.1 -36.24 67.3 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 O-C-N 123.371 0.42 . . . . 0.0 111.326 178.886 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -73.1 -27.08 61.5 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.035 178.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 122' ' ' GLU . . . . . 0.513 ' HB2' ' O ' ' A' ' 118' ' ' ASP . 10.7 tt0 -75.87 -39.3 56.77 Favored 'General case' 0 C--N 1.346 0.431 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.378 179.537 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.603 HG22 ' O ' ' A' ' 119' ' ' LEU . 1.1 m -73.33 -33.3 40.41 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 O-C-N 123.309 0.381 . . . . 0.0 110.984 178.519 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 78.9 mtp180 -70.39 -40.09 74.15 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.872 178.475 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -74.52 -33.35 62.75 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.692 178.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.523 0 CA-C-N 116.02 -0.536 . . . . 0.0 112.248 -179.956 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.217 0 CA-C-O 119.141 -0.81 . . . . 0.0 112.704 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 6.5 Cg_exo -75.31 138.18 21.97 Favored 'Trans proline' 0 C--N 1.373 1.859 0 C-N-CA 122.854 2.369 . . . . 0.0 112.752 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 12.6 t-105 -99.73 -37.76 8.97 Favored 'General case' 0 CA--C 1.534 0.341 0 O-C-N 123.714 0.634 . . . . 0.0 111.018 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -94.85 153.44 17.71 Favored 'General case' 0 N--CA 1.467 0.397 0 O-C-N 123.546 0.528 . . . . 0.0 111.054 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -93.03 -36.14 12.88 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.615 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -94.89 114.25 26.08 Favored 'General case' 0 C--O 1.237 0.426 0 O-C-N 123.382 0.426 . . . . 0.0 111.048 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 53.3 m -138.61 -43.59 0.49 Allowed 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.022 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 68.2 m-70 -109.09 -33.01 7.01 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.491 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.1 pp -89.18 83.83 2.25 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.548 0 CA-C-O 121.262 0.553 . . . . 0.0 111.31 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 3.3 m -145.9 -34.8 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 CA-C-N 115.153 -0.931 . . . . 0.0 111.237 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 71.0 m -83.22 -23.44 32.79 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.79 179.77 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -95.81 -13.96 23.64 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.634 179.6 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -91.41 -22.18 20.59 Favored 'General case' 0 N--CA 1.47 0.549 0 O-C-N 123.478 0.486 . . . . 0.0 111.664 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 1.8 m -71.83 -37.41 61.75 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 N-CA-C 112.54 0.57 . . . . 0.0 112.54 -179.8 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -59.75 -43.27 98.0 Favored Glycine 0 C--N 1.343 0.965 0 O-C-N 123.427 0.454 . . . . 0.0 113.447 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -71.87 -35.53 69.83 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 122.606 0.362 . . . . 0.0 111.095 179.309 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.66 ' O ' HG12 ' A' ' 21' ' ' ILE . 66.1 mttm -70.26 -36.96 74.79 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.928 179.157 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 90.8 m -69.64 -36.67 76.32 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.743 178.764 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -69.36 -32.37 71.4 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.644 178.503 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -71.7 -38.16 70.58 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.315 178.814 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.66 HG12 ' O ' ' A' ' 17' ' ' LYS . 34.4 mm -73.12 -27.6 24.65 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 CA-C-N 116.143 -0.48 . . . . 0.0 109.904 178.59 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.04 -42.25 52.22 Favored Glycine 0 C--N 1.347 1.173 0 O-C-N 123.594 0.559 . . . . 0.0 112.298 178.631 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 7.8 p -71.14 -34.91 56.47 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.873 0 C-N-CA 122.4 0.28 . . . . 0.0 110.391 178.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.41 ' O ' ' HB2' ' A' ' 28' ' ' LEU . 96.9 mttt -72.33 -33.43 67.33 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.918 178.656 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.467 ' HB2' ' O ' ' A' ' 21' ' ' ILE . 2.5 tt -69.68 -39.19 77.12 Favored 'General case' 0 C--N 1.348 0.51 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.053 179.078 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 13.3 mt -69.66 -40.72 76.28 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.122 179.074 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 22.1 m80 -70.63 -31.44 68.39 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.997 178.69 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.479 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 5.2 tp -74.33 -31.42 62.44 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.935 179.092 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.422 ' HG3' ' O ' ' A' ' 25' ' ' LEU . 44.1 mt-10 -72.77 -40.07 66.27 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.893 179.01 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -69.52 -38.21 77.45 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.513 178.659 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -74.34 -25.63 59.65 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.103 178.806 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.479 ' HB2' ' O ' ' A' ' 28' ' ' LEU . 3.5 tt -73.53 -40.83 63.71 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.636 179.16 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.411 ' O ' ' HD1' ' A' ' 37' ' ' TYR . 4.7 tp -70.96 -39.14 72.73 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.55 178.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -72.09 -29.43 66.74 Favored Glycine 0 C--N 1.342 0.888 0 CA-C-N 115.697 -0.683 . . . . 0.0 113.078 179.04 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -81.31 -30.79 33.8 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 112.112 0.412 . . . . 0.0 112.112 179.73 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 43.2 mtt -80.91 -34.06 33.71 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 112.258 0.466 . . . . 0.0 112.258 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.411 ' HD1' ' O ' ' A' ' 33' ' ' LEU . 23.1 m-85 -81.16 -39.27 25.79 Favored 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 111.933 0.345 . . . . 0.0 111.933 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 54.4 m -86.74 -22.95 25.67 Favored 'General case' 0 N--CA 1.47 0.53 0 O-C-N 123.4 0.438 . . . . 0.0 111.947 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 3.9 t60 61.78 110.46 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 123.968 0.907 . . . . 0.0 111.512 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.417 ' CB ' HD12 ' A' ' 43' ' ' LEU . 7.0 m-20 -141.69 163.73 32.12 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.887 -179.788 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -104.07 -42.66 5.48 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.36 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.91 -37.41 84.31 Favored 'General case' 0 N--CA 1.473 0.716 0 N-CA-C 112.792 0.664 . . . . 0.0 112.792 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.483 ' O ' ' HB2' ' A' ' 47' ' ' LEU . 10.6 mt -71.47 -28.74 64.15 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 116.106 -0.497 . . . . 0.0 112.283 -179.42 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -75.65 -34.49 60.52 Favored 'General case' 0 N--CA 1.472 0.664 0 O-C-N 123.324 0.39 . . . . 0.0 111.422 179.412 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 54.9 mt-30 -72.13 -42.32 66.16 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.607 179.04 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 52.0 m -69.15 -33.92 74.19 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.053 178.448 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.483 ' HB2' ' O ' ' A' ' 43' ' ' LEU . 4.3 tp -70.49 -35.62 73.36 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.429 179.232 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 54.1 mt-30 -72.49 -39.86 67.35 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.5 179.596 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -71.58 -38.59 61.56 Favored Glycine 0 C--N 1.344 0.981 0 CA-C-N 116.046 -0.524 . . . . 0.0 112.553 179.39 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.576 ' O ' HG23 ' A' ' 54' ' ' VAL . 42.1 mt-10 -71.52 -35.91 70.86 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 122.758 0.423 . . . . 0.0 111.155 179.398 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.6 tt -71.36 -35.09 71.0 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.887 179.316 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 -73.6 -31.96 63.84 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.243 179.115 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 19.4 p -75.11 -35.37 61.73 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.633 179.149 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.576 HG23 ' O ' ' A' ' 50' ' ' GLU . 95.1 t -75.26 -33.83 29.3 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.246 178.875 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 14.0 ttpt -72.39 -37.1 68.8 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.07 179.185 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -72.91 -36.79 67.35 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.136 179.073 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 18.0 p -73.24 -31.56 64.19 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.168 179.061 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.7 tp -74.01 -37.28 64.43 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.574 179.202 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.523 ' O ' HG13 ' A' ' 62' ' ' ILE . 47.1 mt-30 -69.42 -37.88 77.62 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.739 178.646 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.63 -34.48 74.11 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.745 178.508 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.474 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 68.7 mmm -66.09 -43.96 85.76 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.35 178.845 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.523 HG13 ' O ' ' A' ' 59' ' ' GLN . 1.4 pt -75.11 -23.75 17.4 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 O-C-N 123.576 0.548 . . . . 0.0 111.508 179.416 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.441 ' O ' HD23 ' A' ' 63' ' ' LEU . 2.7 tt -84.58 -19.66 32.72 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.867 178.807 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -87.96 -38.92 15.14 Favored 'General case' 0 N--CA 1.468 0.459 0 O-C-N 123.435 0.459 . . . . 0.0 112.167 179.731 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.474 ' HG ' ' O ' ' A' ' 61' ' ' MET . 3.1 pp -87.7 -38.68 15.62 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 112.108 0.41 . . . . 0.0 112.108 -179.849 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.448 ' N ' HD12 ' A' ' 65' ' ' LEU . 4.6 mt-30 -99.83 115.64 65.4 Favored Pre-proline 0 CA--C 1.54 0.569 0 O-C-N 123.34 0.4 . . . . 0.0 110.823 179.646 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_exo -62.4 156.84 49.15 Favored 'Trans proline' 0 C--N 1.377 2.058 0 C-N-CA 122.587 2.192 . . . . 0.0 113.159 179.604 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 18.9 p -123.65 138.56 54.52 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.058 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 59.0 mttp -100.41 151.0 22.05 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.965 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -95.68 -41.58 8.82 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.326 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -99.57 130.27 45.79 Favored 'General case' 0 C--O 1.234 0.283 0 O-C-N 123.429 0.455 . . . . 0.0 111.109 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 126.86 -120.37 3.61 Favored Glycine 0 C--N 1.337 0.598 0 CA-C-N 115.884 -0.598 . . . . 0.0 112.533 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 63.06 128.45 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 123.969 0.908 . . . . 0.0 112.102 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -99.0 138.41 36.14 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.157 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 40.0 p -102.38 149.43 24.36 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.002 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -99.51 150.77 21.87 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.221 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 15.5 t -124.47 -41.36 2.16 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.263 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 92.7 m-85 59.03 104.97 0.03 OUTLIER Pre-proline 0 N--CA 1.484 1.274 0 C-N-CA 123.721 0.808 . . . . 0.0 111.939 -179.72 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 22.8 Cg_exo -66.16 143.4 71.26 Favored 'Trans proline' 0 C--N 1.376 2.003 0 C-N-CA 122.645 2.23 . . . . 0.0 112.884 179.465 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 18.8 p -138.07 148.55 45.15 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.968 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -123.51 -43.79 2.15 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.479 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 98.54 81.18 1.58 Allowed Glycine 0 C--N 1.341 0.845 0 O-C-N 123.475 0.485 . . . . 0.0 112.654 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -126.27 131.67 51.85 Favored 'General case' 0 C--O 1.235 0.297 0 O-C-N 123.672 0.278 . . . . 0.0 111.163 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 56.5 mt-30 62.88 126.06 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.348 0 C-N-CA 123.954 0.901 . . . . 0.0 112.108 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -110.59 141.78 43.32 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.78 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 18.5 p -102.05 132.09 48.11 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.075 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -129.52 141.29 51.02 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.83 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -100.5 128.43 46.56 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.169 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 5.8 mp -131.23 -42.64 1.07 Allowed 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.236 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 3.3 m -124.2 105.78 31.2 Favored Pre-proline 0 CA--C 1.545 0.776 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.333 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -64.48 -35.28 49.79 Favored 'Trans proline' 0 C--N 1.375 1.929 0 C-N-CA 122.609 2.206 . . . . 0.0 113.333 179.448 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 63.04 126.46 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 123.912 0.885 . . . . 0.0 112.048 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -168.39 87.66 0.09 OUTLIER Glycine 0 C--N 1.336 0.58 0 CA-C-N 115.784 -0.644 . . . . 0.0 112.503 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 53.3 m -101.99 140.73 35.88 Favored 'General case' 0 C--O 1.235 0.307 0 O-C-N 123.679 0.282 . . . . 0.0 110.856 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 134.01 -92.34 0.25 Allowed Glycine 0 C--N 1.338 0.659 0 CA-C-N 115.812 -0.631 . . . . 0.0 112.37 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -128.16 -42.41 1.53 Allowed 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 122.291 0.236 . . . . 0.0 111.23 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -154.72 -149.84 5.37 Favored Glycine 0 C--N 1.34 0.772 0 O-C-N 123.474 0.484 . . . . 0.0 112.546 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -123.53 147.0 47.67 Favored 'General case' 0 C--O 1.235 0.317 0 O-C-N 123.674 0.279 . . . . 0.0 110.863 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 38.9 m-80 -111.15 114.45 27.71 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.827 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -138.22 -37.91 0.56 Allowed 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.867 179.78 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -76.83 -29.54 55.96 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.612 179.617 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 16.0 mt -84.36 -26.51 28.37 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.772 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 63.5 mttm -69.33 -41.49 76.61 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 122.585 0.354 . . . . 0.0 111.954 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -64.74 -39.94 94.47 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 122.838 0.455 . . . . 0.0 111.728 179.61 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 47.5 tttt -74.58 -31.01 61.91 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.321 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -71.54 -37.68 71.1 Favored 'General case' 0 N--CA 1.469 0.516 0 O-C-N 123.446 0.466 . . . . 0.0 111.575 179.356 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -75.9 -35.23 59.88 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.513 179.355 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 52.4 m -70.24 -40.68 74.32 Favored 'General case' 0 N--CA 1.47 0.545 0 O-C-N 123.365 0.415 . . . . 0.0 111.418 179.266 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 22.2 mt -73.28 -36.11 66.26 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.113 179.293 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.403 ' O ' ' HG3' ' A' ' 114' ' ' GLN . . . -68.37 -35.19 77.36 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.131 179.149 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.484 ' O ' ' HD2' ' A' ' 115' ' ' TYR . 95.0 mttt -73.92 -34.24 64.28 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.742 178.791 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.408 ' O ' ' HB2' ' A' ' 116' ' ' LEU . 42.8 mt-10 -71.26 -31.61 67.72 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.371 178.865 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 24.3 mt -78.23 -33.02 17.37 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 178.45 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' GLN . . . . . 0.403 ' HG3' ' O ' ' A' ' 110' ' ' ALA . 53.0 mt-30 -66.81 -39.67 87.8 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.601 178.398 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' TYR . . . . . 0.484 ' HD2' ' O ' ' A' ' 111' ' ' LYS . 17.8 m-85 -73.92 -35.8 64.64 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.195 178.157 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.408 ' HB2' ' O ' ' A' ' 112' ' ' GLU . 5.1 tp -68.49 -36.17 78.54 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.945 178.863 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -72.85 -38.5 67.04 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.041 179.25 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -69.14 -32.07 71.18 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.424 178.299 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.582 ' O ' HG22 ' A' ' 123' ' ' VAL . 16.2 mt -71.59 -42.85 67.22 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.361 179.586 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 2.1 pp -70.2 -33.42 54.58 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 O-C-N 123.336 0.398 . . . . 0.0 111.201 179.073 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -73.03 -31.23 64.32 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.514 179.012 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -74.33 -37.98 63.4 Favored 'General case' 0 N--CA 1.469 0.512 0 O-C-N 123.381 0.425 . . . . 0.0 111.667 179.477 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.582 HG22 ' O ' ' A' ' 119' ' ' LEU . 2.5 m -73.62 -34.25 41.13 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 O-C-N 123.244 0.34 . . . . 0.0 111.108 178.541 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -71.07 -38.51 72.45 Favored 'General case' 0 N--CA 1.472 0.634 0 O-C-N 123.543 0.527 . . . . 0.0 111.403 178.649 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -74.17 -34.81 63.93 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-N 116.05 -0.523 . . . . 0.0 112.138 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -75.3 -40.7 58.28 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 116.12 -0.491 . . . . 0.0 112.133 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' ARG . . . . . 0.44 ' CZ ' ' HB2' ' A' ' 65' ' ' LEU . 94.8 mtt180 -118.43 129.74 55.57 Favored 'General case' 0 C--O 1.236 0.347 0 O-C-N 123.404 0.44 . . . . 0.0 110.819 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 119.9 -67.69 0.4 Allowed Glycine 0 C--N 1.337 0.619 0 CA-C-N 115.768 -0.651 . . . . 0.0 112.399 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -130.17 130.62 44.95 Favored 'General case' 0 C--O 1.234 0.267 0 C-N-CA 122.329 0.252 . . . . 0.0 110.886 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -102.51 143.75 31.82 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.78 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 35.9 ttt180 -101.16 146.68 27.17 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.62 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 28.5 m 49.94 157.81 0.04 OUTLIER Pre-proline 0 N--CA 1.493 1.691 0 C-N-CA 125.445 1.498 . . . . 0.0 114.017 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 6.8 Cg_exo . . . . . 0 C--N 1.379 2.142 0 C-N-CA 122.468 2.112 . . . . 0.0 112.676 179.864 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.194 0 CA-C-O 119.272 -0.738 . . . . 0.0 112.697 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_exo -75.75 152.95 37.91 Favored 'Trans proline' 0 C--N 1.371 1.712 0 C-N-CA 122.995 2.463 . . . . 0.0 112.808 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 31.4 m-90 -99.33 -40.2 8.03 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.294 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -99.76 131.87 45.46 Favored 'General case' 0 C--O 1.235 0.341 0 O-C-N 123.463 0.477 . . . . 0.0 110.791 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -128.54 -35.54 1.93 Allowed 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.597 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -94.46 120.15 34.26 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.244 -179.688 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 52.3 m -136.11 -43.0 0.64 Allowed 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.898 179.736 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 68.5 m-70 -122.72 -25.09 4.73 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.265 179.769 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.1 pp -89.24 79.57 1.69 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.532 0 CA-C-O 121.476 0.655 . . . . 0.0 111.11 179.682 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 10.9 p -139.8 -33.95 0.25 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.778 0 CA-C-N 115.048 -0.978 . . . . 0.0 110.845 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 58.2 m -88.09 -26.77 22.35 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.784 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -93.9 -14.54 25.93 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.946 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -90.57 -22.28 21.34 Favored 'General case' 0 N--CA 1.469 0.517 0 O-C-N 123.365 0.416 . . . . 0.0 111.774 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.3 m -74.32 -38.73 47.92 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.775 0 N-CA-C 112.413 0.523 . . . . 0.0 112.413 -179.709 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -66.88 -37.26 92.1 Favored Glycine 0 C--N 1.341 0.857 0 O-C-N 123.441 0.463 . . . . 0.0 113.636 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -76.68 -31.72 57.45 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 122.564 0.346 . . . . 0.0 111.525 179.746 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 64.6 mttm -76.17 -33.95 59.35 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.933 179.189 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 93.6 m -73.57 -39.47 64.65 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.73 178.719 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.556 ' O ' HG22 ' A' ' 23' ' ' VAL . 42.3 mt-10 -70.38 -36.32 74.05 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.426 179.06 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.97 -37.49 67.03 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.602 179.685 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.536 ' O ' ' HB2' ' A' ' 25' ' ' LEU . 3.0 tp -73.67 -27.61 23.34 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.776 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.421 178.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -73.04 -43.04 41.98 Favored Glycine 0 C--N 1.348 1.226 0 CA-C-N 115.837 -0.62 . . . . 0.0 112.487 178.661 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.556 HG22 ' O ' ' A' ' 19' ' ' GLU . 3.0 m -71.01 -36.52 63.84 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 CA-C-O 120.704 0.288 . . . . 0.0 111.186 178.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -69.34 -36.02 76.5 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.734 178.662 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.536 ' HB2' ' O ' ' A' ' 21' ' ' ILE . 0.2 OUTLIER -69.86 -35.38 74.65 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.86 179.014 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.63 -40.82 80.13 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.935 179.152 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 30.2 m80 -69.9 -32.67 71.12 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 116.009 -0.542 . . . . 0.0 111.131 178.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.497 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 21.0 mt -74.73 -29.79 61.29 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.187 178.794 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.416 ' HG3' ' O ' ' A' ' 25' ' ' LEU . 40.2 mt-10 -72.39 -41.48 66.26 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.865 179.098 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -69.63 -37.61 76.87 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.731 178.683 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -74.14 -25.0 59.5 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.059 178.752 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.497 ' HB2' ' O ' ' A' ' 28' ' ' LEU . 2.8 tt -75.28 -39.52 59.62 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.833 179.206 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.5 mp -71.91 -37.36 70.08 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.725 178.685 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -71.81 -32.58 63.76 Favored Glycine 0 C--N 1.343 0.959 0 CA-C-N 115.733 -0.667 . . . . 0.0 112.34 178.594 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -81.16 -24.72 37.36 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 122.787 0.435 . . . . 0.0 111.437 178.765 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 13.0 mtt -80.34 -32.48 37.84 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.607 179.47 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -78.18 -35.57 48.51 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.487 179.646 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 55.6 p -86.58 -27.85 23.65 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.763 179.741 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 3.8 t60 63.15 108.24 0.03 OUTLIER 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 124.067 0.947 . . . . 0.0 111.712 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -143.14 166.48 24.57 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.433 179.783 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -98.01 -40.22 8.56 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.571 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.02 -39.94 87.16 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 112.907 0.706 . . . . 0.0 112.907 -179.653 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 21.1 mt -70.15 -35.75 74.25 Favored 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 112.373 0.508 . . . . 0.0 112.373 -179.314 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -68.86 -34.22 75.09 Favored 'General case' 0 N--CA 1.471 0.62 0 O-C-N 123.245 0.341 . . . . 0.0 111.538 179.633 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -72.64 -40.23 66.55 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.635 178.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 52.1 m -69.14 -37.84 78.5 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.295 178.745 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 20.0 mt -70.81 -33.75 71.03 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.835 179.384 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 50.5 mt-30 -72.7 -39.21 67.17 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.501 179.462 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -71.62 -37.04 62.01 Favored Glycine 0 C--N 1.344 1.004 0 CA-C-N 116.109 -0.496 . . . . 0.0 112.633 179.107 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.518 ' O ' HG22 ' A' ' 54' ' ' VAL . 43.0 mt-10 -72.37 -35.52 68.5 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 122.859 0.463 . . . . 0.0 111.164 179.236 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.7 tt -71.81 -35.21 69.89 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.892 179.154 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -74.66 -31.44 61.94 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.064 179.068 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 17.6 p -74.49 -36.36 63.25 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.556 179.173 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.518 HG22 ' O ' ' A' ' 50' ' ' GLU . 10.6 m -74.65 -34.01 33.44 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 O-C-N 123.243 0.34 . . . . 0.0 110.955 178.844 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 55.0 tttt -71.07 -37.15 72.47 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.618 178.613 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -72.89 -33.57 66.11 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.097 178.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 12.3 p -73.48 -33.06 64.64 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.265 178.809 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.9 tt -72.5 -39.36 67.69 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.551 179.178 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.436 ' O ' HG13 ' A' ' 62' ' ' ILE . 54.3 mt-30 -69.4 -36.68 77.0 Favored 'General case' 0 N--CA 1.472 0.675 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.662 178.618 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.447 ' O ' ' HB2' ' A' ' 64' ' ' GLN . . . -70.12 -31.74 69.43 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.021 178.683 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 55.0 mmm -70.72 -43.1 69.65 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.514 179.059 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.441 ' O ' ' HB2' ' A' ' 66' ' ' GLN . 1.4 pt -75.67 -24.34 16.94 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 O-C-N 123.385 0.428 . . . . 0.0 111.851 179.222 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.6 tp -85.4 -24.74 27.38 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.292 179.404 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.447 ' HB2' ' O ' ' A' ' 60' ' ' ALA . 11.6 tt0 -89.25 -31.91 17.65 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.451 179.684 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 12.4 mt -90.46 -40.68 11.88 Favored 'General case' 0 N--CA 1.469 0.481 0 O-C-N 123.322 0.389 . . . . 0.0 111.323 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.441 ' HB2' ' O ' ' A' ' 62' ' ' ILE . 54.9 mt-30 -109.24 103.43 52.48 Favored Pre-proline 0 CA--C 1.542 0.673 0 O-C-N 123.584 0.553 . . . . 0.0 110.415 179.684 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 21.8 Cg_exo -66.14 119.87 6.95 Favored 'Trans proline' 0 C--N 1.375 1.942 0 C-N-CA 122.588 2.192 . . . . 0.0 113.153 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 4.5 t -148.38 108.38 4.06 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.664 179.704 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -136.11 139.11 42.71 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.961 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -130.24 125.28 34.48 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.744 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -128.59 131.58 48.15 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.075 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 99.91 -105.5 3.01 Favored Glycine 0 C--N 1.337 0.639 0 CA-C-N 115.824 -0.626 . . . . 0.0 112.502 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -117.3 145.9 43.69 Favored 'General case' 0 N--CA 1.465 0.319 0 O-C-N 123.719 0.306 . . . . 0.0 110.851 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -100.28 144.52 29.19 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.158 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 52.3 m -115.69 138.17 51.36 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.923 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -100.91 144.99 29.19 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.079 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 53.1 m -108.11 -42.64 4.6 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.281 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 91.0 m-85 -129.09 114.63 18.69 Favored Pre-proline 0 CA--C 1.541 0.624 0 O-C-N 123.398 0.436 . . . . 0.0 110.841 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 25.2 Cg_exo -64.14 -35.3 53.65 Favored 'Trans proline' 0 C--N 1.375 1.942 0 C-N-CA 122.616 2.21 . . . . 0.0 113.296 179.42 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 40.9 p 52.37 107.57 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 124.329 1.052 . . . . 0.0 112.863 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -108.34 144.12 36.31 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.723 -0.672 . . . . 0.0 111.108 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -168.42 -151.38 7.09 Favored Glycine 0 C--N 1.337 0.608 0 CA-C-N 115.871 -0.604 . . . . 0.0 112.562 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -100.71 145.57 28.29 Favored 'General case' 0 C--O 1.235 0.319 0 O-C-N 123.574 0.22 . . . . 0.0 111.111 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -101.12 -45.66 5.31 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.85 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -131.87 127.22 36.06 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.901 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 6.3 t -141.76 123.36 15.06 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.897 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -112.73 122.41 47.57 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.776 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -133.36 140.65 47.5 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.016 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 5.8 mp -128.82 119.17 24.0 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.834 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.703 ' H ' ' CD ' ' A' ' 91' ' ' PRO . 2.9 m -145.77 -32.3 0.0 OUTLIER Pre-proline 0 CA--C 1.552 1.047 0 CA-C-O 118.249 -0.881 . . . . 0.0 113.248 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.703 ' CD ' ' H ' ' A' ' 90' ' ' VAL . 3.1 Cg_exo -76.87 158.75 34.82 Favored 'Trans proline' 0 C--N 1.383 2.383 0 C-N-CA 122.011 1.807 . . . . 0.0 112.88 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -122.8 130.74 53.26 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.798 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -156.43 -154.24 6.93 Favored Glycine 0 C--N 1.336 0.566 0 CA-C-N 115.947 -0.57 . . . . 0.0 112.626 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 52.9 m -128.82 146.37 50.94 Favored 'General case' 0 C--O 1.236 0.343 0 C-N-CA 122.317 0.247 . . . . 0.0 110.936 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -132.4 120.11 2.64 Favored Glycine 0 C--N 1.336 0.576 0 CA-C-N 115.835 -0.62 . . . . 0.0 112.508 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -107.66 -43.51 4.48 Favored 'General case' 0 C--O 1.235 0.328 0 O-C-N 123.66 0.271 . . . . 0.0 110.952 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -112.52 -106.81 2.84 Favored Glycine 0 C--N 1.34 0.764 0 O-C-N 123.443 0.464 . . . . 0.0 112.564 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -99.77 148.39 24.45 Favored 'General case' 0 C--O 1.235 0.337 0 O-C-N 123.645 0.262 . . . . 0.0 110.966 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 42.1 m-80 -128.28 -27.56 2.67 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.76 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -87.23 -26.29 23.58 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 111.997 0.369 . . . . 0.0 111.997 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -76.92 -29.87 55.86 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 112.314 0.487 . . . . 0.0 112.314 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 11.9 mt -85.3 -26.93 26.3 Favored 'General case' 0 N--CA 1.47 0.572 0 O-C-N 123.347 0.404 . . . . 0.0 111.956 -179.782 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 63.9 mttm -74.81 -35.81 62.46 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 111.974 0.361 . . . . 0.0 111.974 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -64.51 -41.37 96.45 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 122.731 0.412 . . . . 0.0 111.645 179.675 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -78.77 -33.28 46.52 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.498 179.786 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -71.64 -38.05 70.79 Favored 'General case' 0 N--CA 1.47 0.555 0 O-C-N 123.466 0.479 . . . . 0.0 111.493 179.206 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -75.95 -38.48 57.52 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.738 179.507 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 66.4 m -70.37 -37.58 74.6 Favored 'General case' 0 N--CA 1.471 0.619 0 O-C-N 123.214 0.321 . . . . 0.0 111.189 179.368 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 3.6 tp -73.22 -37.03 66.55 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.82 179.372 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -68.35 -34.89 76.89 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.264 179.184 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -74.35 -33.37 63.1 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.954 178.855 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.438 ' O ' ' HB2' ' A' ' 116' ' ' LEU . 42.4 mt-10 -73.5 -31.25 63.63 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.623 178.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 26.7 mt -79.45 -33.09 15.08 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 178.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 52.2 mt-30 -69.06 -38.3 79.01 Favored 'General case' 0 N--CA 1.472 0.636 0 O-C-N 123.411 0.445 . . . . 0.0 110.319 178.262 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 13.5 t80 -73.8 -35.83 64.94 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.891 178.434 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.438 ' HB2' ' O ' ' A' ' 112' ' ' GLU . 7.3 tp -67.98 -38.18 82.4 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.798 178.739 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 92.4 mttt -70.33 -38.43 74.89 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.099 179.245 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -68.97 -31.59 70.56 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.226 178.442 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.578 ' O ' HG22 ' A' ' 123' ' ' VAL . 16.5 mt -71.46 -41.57 69.24 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.581 179.296 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 12.8 mt -70.13 -34.6 59.89 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 O-C-N 123.349 0.406 . . . . 0.0 110.371 179.161 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -73.0 -30.87 64.11 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.622 179.213 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -75.95 -35.87 59.52 Favored 'General case' 0 N--CA 1.47 0.537 0 O-C-N 123.399 0.437 . . . . 0.0 111.727 179.575 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.578 HG22 ' O ' ' A' ' 119' ' ' LEU . 3.6 m -75.82 -33.57 26.08 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 O-C-N 123.216 0.322 . . . . 0.0 110.896 178.672 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 37.9 ttt180 -71.06 -39.84 71.99 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.059 178.678 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -74.2 -35.35 63.94 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.992 179.666 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -75.18 -42.58 55.52 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 116.04 -0.527 . . . . 0.0 112.182 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 29.9 ttt180 -128.64 129.74 46.29 Favored 'General case' 0 C--O 1.235 0.322 0 O-C-N 123.459 0.474 . . . . 0.0 110.571 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 152.86 147.15 4.53 Favored Glycine 0 C--N 1.337 0.604 0 CA-C-N 115.817 -0.629 . . . . 0.0 112.486 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -99.33 -40.88 7.69 Favored 'General case' 0 N--CA 1.466 0.352 0 O-C-N 123.651 0.265 . . . . 0.0 111.303 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -98.46 140.58 32.5 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.94 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 86.4 mtm180 -128.15 129.87 47.21 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.869 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 132' ' ' VAL . . . . . 0.461 ' H ' ' HD3' ' A' ' 133' ' ' PRO . 3.9 m -93.02 -30.87 0.31 Allowed Pre-proline 0 CA--C 1.553 1.065 0 N-CA-C 113.275 0.843 . . . . 0.0 113.275 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 133' ' ' PRO . . . . . 0.461 ' HD3' ' H ' ' A' ' 132' ' ' VAL . 2.6 Cg_exo . . . . . 0 C--N 1.382 2.303 0 C-N-CA 122.177 1.918 . . . . 0.0 112.835 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.298 0 CA-C-O 119.306 -0.719 . . . . 0.0 112.6 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.422 ' HB2' ' CE3' ' A' ' 3' ' ' TRP . 5.5 Cg_exo -75.58 -35.63 2.65 Favored 'Trans proline' 0 C--N 1.37 1.686 0 C-N-CA 122.986 2.457 . . . . 0.0 113.124 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 0.422 ' CE3' ' HB2' ' A' ' 2' ' ' PRO . 31.0 m-90 -109.07 145.52 35.49 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.863 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -121.8 149.47 43.28 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.996 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -98.63 -31.11 12.1 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.443 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -88.25 -2.79 58.81 Favored 'General case' 0 CA--C 1.539 0.53 0 O-C-N 123.399 0.437 . . . . 0.0 111.903 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 12.6 t -91.65 -20.01 22.07 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.8 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 60.7 m80 -92.65 -36.38 13.0 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.627 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.1 pp -91.77 85.0 2.15 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 CA-C-O 121.357 0.599 . . . . 0.0 111.27 179.797 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 3.2 m -146.98 -35.63 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 CA-C-N 115.221 -0.9 . . . . 0.0 111.246 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 71.8 m -83.8 -18.03 39.06 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.95 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -95.52 -19.72 19.6 Favored 'General case' 0 N--CA 1.466 0.357 0 O-C-N 123.328 0.392 . . . . 0.0 111.938 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -89.37 -22.07 22.78 Favored 'General case' 0 N--CA 1.469 0.512 0 O-C-N 123.292 0.37 . . . . 0.0 111.859 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.7 m -71.3 -39.36 72.38 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 N-CA-C 112.584 0.587 . . . . 0.0 112.584 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -67.34 -40.47 91.8 Favored Glycine 0 C--N 1.341 0.845 0 CA-C-N 116.133 -0.485 . . . . 0.0 113.703 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -73.29 -38.83 65.75 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 122.54 0.336 . . . . 0.0 111.194 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.646 ' O ' HG12 ' A' ' 21' ' ' ILE . 96.6 mttt -70.83 -34.56 71.82 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.131 179.371 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 48.9 t -71.43 -37.14 71.48 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.548 178.713 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.562 ' O ' HG22 ' A' ' 23' ' ' VAL . 41.0 mt-10 -69.89 -31.32 69.08 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.889 178.631 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.32 -40.04 67.77 Favored 'General case' 0 C--N 1.348 0.505 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.483 178.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.646 HG12 ' O ' ' A' ' 17' ' ' LYS . 40.8 mm -72.4 -27.44 26.24 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.901 178.51 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -71.93 -44.01 47.78 Favored Glycine 0 C--N 1.348 1.227 0 CA-C-N 116.019 -0.537 . . . . 0.0 112.563 178.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.562 HG22 ' O ' ' A' ' 19' ' ' GLU . 3.1 m -71.09 -35.09 57.38 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 CA-C-O 120.614 0.245 . . . . 0.0 111.231 179.144 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.481 ' O ' ' HB2' ' A' ' 28' ' ' LEU . 96.9 mttt -71.49 -33.59 69.4 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.921 178.855 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.475 ' HB2' ' O ' ' A' ' 21' ' ' ILE . 2.7 tt -70.02 -40.96 74.89 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.999 179.249 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 13.8 mt -67.54 -42.24 83.03 Favored 'General case' 0 N--CA 1.475 0.819 0 O-C-N 123.317 0.386 . . . . 0.0 111.228 179.362 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 35.7 m80 -69.73 -31.39 69.36 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.072 178.828 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.481 ' HB2' ' O ' ' A' ' 24' ' ' LYS . 2.2 tp -74.44 -29.37 61.46 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.114 179.055 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.441 ' HG3' ' O ' ' A' ' 25' ' ' LEU . 43.8 mt-10 -73.74 -41.47 62.47 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.879 178.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -69.67 -36.85 76.38 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.922 178.703 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 18.7 mm-40 -74.18 -28.82 61.47 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.02 178.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.74 -38.46 67.41 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.108 179.165 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.459 ' O ' ' HD1' ' A' ' 37' ' ' TYR . 11.2 mt -71.0 -40.37 71.86 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.676 178.769 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -72.0 -27.2 70.86 Favored Glycine 0 C--N 1.343 0.96 0 CA-C-N 115.741 -0.663 . . . . 0.0 112.635 178.711 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -81.18 -30.09 34.46 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 122.721 0.408 . . . . 0.0 111.753 179.234 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 47.9 mtt -78.83 -36.27 42.81 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 116.251 -0.432 . . . . 0.0 112.164 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.459 ' HD1' ' O ' ' A' ' 33' ' ' LEU . 34.3 m-85 -81.1 -40.17 24.5 Favored 'General case' 0 N--CA 1.471 0.581 0 N-CA-C 112.149 0.426 . . . . 0.0 112.149 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 53.5 m -86.77 -20.74 27.17 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.979 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 69.9 m-70 62.52 113.05 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 123.847 0.859 . . . . 0.0 111.956 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -141.02 165.9 26.28 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.787 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -109.59 -39.72 5.07 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.465 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.85 -30.07 70.15 Favored 'General case' 0 N--CA 1.475 0.786 0 N-CA-C 112.898 0.703 . . . . 0.0 112.898 -179.747 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.1 mt -71.17 -28.72 64.45 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 112.411 0.523 . . . . 0.0 112.411 -179.56 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 32.9 m-85 -73.94 -36.02 64.61 Favored 'General case' 0 N--CA 1.472 0.642 0 O-C-N 123.283 0.364 . . . . 0.0 111.361 179.175 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 12.3 mm100 -71.64 -41.63 68.56 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.648 179.09 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 52.6 m -69.12 -32.35 71.67 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.875 178.461 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 5.8 tp -70.52 -37.1 74.06 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.191 179.117 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 12.2 mm100 -71.71 -39.95 69.83 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.565 179.708 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -71.67 -39.12 60.84 Favored Glycine 0 C--N 1.342 0.87 0 O-C-N 123.542 0.526 . . . . 0.0 113.011 179.468 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.509 ' O ' HG22 ' A' ' 54' ' ' VAL . 42.3 mt-10 -71.77 -35.68 70.14 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 122.741 0.417 . . . . 0.0 111.478 179.601 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.7 tp -72.44 -35.79 68.39 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.07 179.559 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -74.61 -30.66 61.75 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.253 179.077 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 16.5 p -75.14 -36.78 61.55 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.584 179.097 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.509 HG22 ' O ' ' A' ' 50' ' ' GLU . 13.3 m -74.74 -33.94 32.59 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 O-C-N 123.368 0.417 . . . . 0.0 110.878 178.878 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 54.6 tttt -71.37 -37.75 71.6 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.765 178.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -72.95 -33.81 66.12 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.038 178.855 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 12.1 p -75.08 -30.82 61.06 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.083 178.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.9 tt -73.16 -40.46 64.83 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.514 179.225 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -69.72 -38.98 77.11 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.913 178.862 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.467 ' O ' ' HB2' ' A' ' 64' ' ' GLN . . . -69.91 -30.75 68.24 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.161 178.852 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 3.1 mmm -71.19 -43.19 67.92 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.343 179.199 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.409 ' H ' HG13 ' A' ' 62' ' ' ILE . 2.1 pp -75.26 -24.55 17.58 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.641 179.582 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 2.9 tt -85.24 -24.44 27.79 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.159 179.051 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.467 ' HB2' ' O ' ' A' ' 60' ' ' ALA . 5.2 tt0 -89.01 -27.63 20.73 Favored 'General case' 0 CA--C 1.538 0.493 0 O-C-N 123.388 0.43 . . . . 0.0 111.609 179.792 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 21.0 mt -75.47 -10.85 59.81 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 112.334 0.494 . . . . 0.0 112.334 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -93.98 156.33 39.31 Favored Pre-proline 0 CA--C 1.541 0.607 0 CA-C-O 119.376 -0.345 . . . . 0.0 111.03 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.92 -35.43 2.52 Favored 'Trans proline' 0 C--N 1.375 1.956 0 C-N-CA 122.638 2.225 . . . . 0.0 113.11 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 19.0 p -97.51 143.43 28.22 Favored 'General case' 0 C--O 1.235 0.321 0 O-C-N 123.337 0.398 . . . . 0.0 111.327 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -128.91 136.65 50.68 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.741 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -100.37 134.82 42.75 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.823 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -100.68 145.06 28.9 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.111 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 103.54 88.99 2.08 Favored Glycine 0 C--N 1.336 0.58 0 O-C-N 123.7 0.625 . . . . 0.0 112.55 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -101.02 142.28 32.71 Favored 'General case' 0 C--O 1.235 0.307 0 C-N-CA 122.29 0.236 . . . . 0.0 110.482 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -125.85 132.72 52.15 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.164 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 53.4 m -100.89 135.27 42.61 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.924 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -104.61 146.3 29.11 Favored 'General case' 0 C--O 1.236 0.351 0 O-C-N 123.651 0.594 . . . . 0.0 111.2 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 54.9 m -123.74 131.89 53.69 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.914 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 36.8 p90 -130.13 158.81 73.0 Favored Pre-proline 0 CA--C 1.545 0.786 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.99 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 7.3 Cg_exo -74.23 157.19 46.23 Favored 'Trans proline' 0 C--N 1.377 2.053 0 C-N-CA 122.536 2.157 . . . . 0.0 112.708 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 19.4 p -124.95 -45.72 1.86 Allowed 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.411 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -126.52 147.03 49.9 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.072 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -135.13 66.51 0.56 Allowed Glycine 0 C--N 1.337 0.621 0 CA-C-N 115.86 -0.609 . . . . 0.0 112.463 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -99.22 150.66 21.85 Favored 'General case' 0 C--O 1.235 0.326 0 O-C-N 123.679 0.282 . . . . 0.0 111.289 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 54.7 mt-30 -96.4 -39.26 9.69 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.403 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -96.52 142.82 28.14 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.913 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 19.3 p -99.11 -43.92 6.48 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.467 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -97.15 142.07 29.51 Favored 'General case' 0 C--O 1.235 0.327 0 O-C-N 123.36 0.413 . . . . 0.0 111.038 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -114.27 152.93 30.58 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.087 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 2.7 tt -95.21 -43.19 8.19 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.006 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.407 ' HA ' ' HD3' ' A' ' 91' ' ' PRO . 13.3 p -121.04 125.2 27.09 Favored Pre-proline 0 CA--C 1.554 1.122 0 O-C-N 123.384 0.428 . . . . 0.0 110.598 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 90' ' ' VAL . 7.1 Cg_exo -74.15 -36.39 3.36 Favored 'Trans proline' 0 C--N 1.376 1.985 0 C-N-CA 122.475 2.116 . . . . 0.0 113.099 179.731 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -100.23 149.59 23.41 Favored 'General case' 0 N--CA 1.466 0.343 0 O-C-N 123.389 0.431 . . . . 0.0 111.077 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -154.66 118.95 0.89 Allowed Glycine 0 C--N 1.336 0.569 0 CA-C-N 115.728 -0.669 . . . . 0.0 112.429 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 53.5 m -99.54 146.56 26.28 Favored 'General case' 0 C--O 1.236 0.351 0 O-C-N 123.606 0.239 . . . . 0.0 110.999 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 158.85 -136.4 4.69 Favored Glycine 0 C--N 1.337 0.6 0 CA-C-N 115.829 -0.623 . . . . 0.0 112.505 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -100.41 150.21 22.86 Favored 'General case' 0 C--O 1.236 0.381 0 C-N-CA 122.289 0.236 . . . . 0.0 110.994 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -98.54 -157.73 29.67 Favored Glycine 0 C--N 1.337 0.615 0 CA-C-N 115.863 -0.608 . . . . 0.0 112.666 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -130.16 147.19 51.86 Favored 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 122.335 0.254 . . . . 0.0 110.959 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -111.3 -14.33 13.81 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.635 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -90.75 -19.71 23.21 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 122.563 0.345 . . . . 0.0 111.85 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -76.98 -31.45 56.53 Favored 'General case' 0 N--CA 1.471 0.61 0 O-C-N 123.424 0.453 . . . . 0.0 112.192 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 11.1 mt -86.3 -28.34 23.79 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.732 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -74.46 -38.58 62.9 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 122.687 0.395 . . . . 0.0 111.807 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -64.7 -39.69 94.09 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 122.792 0.437 . . . . 0.0 111.683 179.561 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.435 ' O ' ' HB2' ' A' ' 109' ' ' LEU . 97.1 mttt -78.07 -33.11 51.01 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.516 179.851 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -71.72 -40.15 69.63 Favored 'General case' 0 N--CA 1.469 0.512 0 O-C-N 123.318 0.386 . . . . 0.0 111.514 179.182 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -75.9 -34.8 59.96 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.793 179.427 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' SER . . . . . 0.432 ' O ' ' HG3' ' A' ' 112' ' ' GLU . 15.8 t -72.41 -36.79 68.72 Favored 'General case' 0 N--CA 1.471 0.606 0 O-C-N 123.349 0.405 . . . . 0.0 111.122 179.259 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.435 ' HB2' ' O ' ' A' ' 105' ' ' LYS . 1.1 tt -73.74 -37.61 65.02 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.79 179.383 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.446 ' O ' ' HG3' ' A' ' 114' ' ' GLN . . . -69.11 -34.01 74.39 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.788 178.572 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.461 ' O ' ' HD2' ' A' ' 115' ' ' TYR . 23.7 tttm -73.03 -33.61 65.83 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.418 178.754 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.432 ' HG3' ' O ' ' A' ' 108' ' ' SER . 40.7 mt-10 -68.01 -36.9 80.75 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.988 178.442 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 27.2 mt -73.41 -33.2 39.56 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.954 178.244 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' GLN . . . . . 0.446 ' HG3' ' O ' ' A' ' 110' ' ' ALA . 53.7 mt-30 -65.22 -37.41 87.19 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.653 178.355 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' TYR . . . . . 0.461 ' HD2' ' O ' ' A' ' 111' ' ' LYS . 14.7 m-85 -73.56 -35.82 65.54 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.307 177.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.637 ' O ' HG12 ' A' ' 120' ' ' ILE . 10.0 tp -68.09 -41.02 82.48 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 115.419 -0.809 . . . . 0.0 110.724 178.834 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -69.54 -36.24 76.19 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.934 179.171 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -68.8 -33.64 74.2 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.941 178.665 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.571 ' O ' HG22 ' A' ' 123' ' ' VAL . 12.2 mt -71.16 -38.68 72.19 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.393 179.411 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 120' ' ' ILE . . . . . 0.637 HG12 ' O ' ' A' ' 116' ' ' LEU . 41.5 mm -69.28 -36.21 71.37 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 O-C-N 123.463 0.477 . . . . 0.0 110.121 178.606 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -72.91 -28.99 62.78 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.521 179.029 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -76.12 -36.86 58.66 Favored 'General case' 0 N--CA 1.471 0.595 0 O-C-N 123.35 0.406 . . . . 0.0 111.643 179.456 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.571 HG22 ' O ' ' A' ' 119' ' ' LEU . 3.3 m -75.32 -33.82 29.0 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.775 0 O-C-N 123.248 0.342 . . . . 0.0 110.965 178.727 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 34.2 ttt180 -71.31 -39.84 71.18 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.048 178.721 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -74.28 -34.28 63.5 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-N 116.04 -0.527 . . . . 0.0 112.162 179.748 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -75.1 -41.83 57.85 Favored 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 112.249 0.463 . . . . 0.0 112.249 -179.715 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 21.3 ttt180 -118.22 127.86 54.15 Favored 'General case' 0 C--O 1.235 0.332 0 O-C-N 123.432 0.458 . . . . 0.0 110.631 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 143.74 -101.44 0.26 Allowed Glycine 0 C--N 1.337 0.638 0 CA-C-N 115.774 -0.648 . . . . 0.0 112.43 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -130.07 144.16 51.19 Favored 'General case' 0 N--CA 1.466 0.327 0 O-C-N 123.662 0.272 . . . . 0.0 110.889 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 59.0 mttp -128.45 143.0 50.92 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.782 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 63.08 126.38 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 123.95 0.9 . . . . 0.0 111.991 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 3.1 m -129.23 98.68 22.88 Favored Pre-proline 0 CA--C 1.546 0.797 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.331 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 15.1 Cg_exo . . . . . 0 C--N 1.375 1.922 0 C-N-CA 122.819 2.346 . . . . 0.0 112.716 179.516 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.176 0 CA-C-O 119.188 -0.785 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -75.56 136.5 19.37 Favored 'Trans proline' 0 C--N 1.37 1.692 0 C-N-CA 122.926 2.418 . . . . 0.0 112.799 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 19.8 p-90 -112.11 139.04 47.97 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.063 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 58.9 mttp -97.09 150.34 20.94 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.125 -179.78 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -101.98 -39.2 7.44 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.457 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -98.09 122.54 41.36 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.232 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 53.0 m -131.93 -42.32 1.01 Allowed 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.017 179.741 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 66.9 m-70 -119.57 -18.42 8.43 Favored 'General case' 0 N--CA 1.466 0.375 0 O-C-N 123.549 0.531 . . . . 0.0 111.431 179.787 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.1 pp -91.13 88.16 2.76 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 CA-C-O 121.268 0.556 . . . . 0.0 111.292 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 3.2 m -146.58 -35.26 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 CA-C-N 115.288 -0.869 . . . . 0.0 111.36 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 13.9 t -83.69 -16.87 43.34 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 115.993 -0.548 . . . . 0.0 111.97 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -96.26 -23.22 16.79 Favored 'General case' 0 N--CA 1.468 0.475 0 O-C-N 123.316 0.385 . . . . 0.0 111.928 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -86.72 -22.05 26.25 Favored 'General case' 0 N--CA 1.471 0.624 0 O-C-N 123.373 0.421 . . . . 0.0 111.863 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.4 m -74.67 -37.71 43.65 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 N-CA-C 112.523 0.564 . . . . 0.0 112.523 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -59.12 -39.74 94.79 Favored Glycine 0 C--N 1.342 0.871 0 CA-C-N 116.16 -0.473 . . . . 0.0 113.975 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -75.66 -36.4 60.14 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 122.446 0.298 . . . . 0.0 111.497 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.443 ' HD3' ' SD ' ' A' ' 61' ' ' MET . 97.2 mttt -73.21 -34.3 65.86 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.082 179.402 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.497 ' O ' HG22 ' A' ' 21' ' ' ILE . 87.4 m -74.11 -36.45 64.22 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.844 178.9 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.566 ' O ' HG22 ' A' ' 23' ' ' VAL . 36.6 mt-10 -70.06 -34.86 73.75 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.916 178.544 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.49 -38.52 68.13 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.351 179.137 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.497 HG22 ' O ' ' A' ' 18' ' ' CYS . 1.5 tp -71.92 -28.44 30.2 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.879 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.437 178.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.52 -43.48 44.51 Favored Glycine 0 C--N 1.348 1.228 0 CA-C-N 115.608 -0.724 . . . . 0.0 112.54 178.813 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.566 HG22 ' O ' ' A' ' 19' ' ' GLU . 2.7 m -70.23 -34.08 57.25 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 CA-C-O 120.685 0.279 . . . . 0.0 110.992 178.841 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.405 ' O ' ' HB2' ' A' ' 28' ' ' LEU . 95.0 mttt -71.1 -33.53 70.25 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.789 178.388 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 10.3 tp -69.78 -40.22 76.17 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.16 178.853 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 14.5 mt -68.29 -42.59 79.28 Favored 'General case' 0 N--CA 1.474 0.728 0 O-C-N 123.309 0.381 . . . . 0.0 111.604 179.625 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 43.0 m80 -69.69 -31.65 69.8 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.154 178.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.443 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 4.7 tp -74.74 -29.94 61.33 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.915 179.01 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.565 ' OE1' HD13 ' A' ' 113' ' ' ILE . 6.6 mm-40 -72.84 -41.1 65.18 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.978 179.123 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -69.8 -37.88 76.45 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.03 178.711 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -74.42 -27.18 60.51 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.519 179.084 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.443 ' HB2' ' O ' ' A' ' 28' ' ' LEU . 5.2 tt -73.92 -42.2 60.97 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.063 179.517 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 5.4 mt -72.53 -35.69 68.13 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.772 179.022 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -72.43 -31.04 63.72 Favored Glycine 0 C--N 1.343 0.963 0 CA-C-N 115.7 -0.682 . . . . 0.0 112.763 178.503 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -81.15 -30.19 34.52 Favored 'General case' 0 C--N 1.347 0.475 0 C-N-CA 122.603 0.361 . . . . 0.0 111.94 179.499 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 52.4 mtt -81.98 -30.08 31.82 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.975 179.756 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 10.7 t80 -81.15 -39.07 26.13 Favored 'General case' 0 N--CA 1.469 0.522 0 O-C-N 123.317 0.385 . . . . 0.0 111.343 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 52.4 m -86.49 -21.11 27.18 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.962 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 66.2 m80 61.56 110.29 0.02 OUTLIER 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 123.845 0.858 . . . . 0.0 111.897 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.404 ' CB ' HD12 ' A' ' 43' ' ' LEU . 6.7 m-20 -142.04 159.45 42.2 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.888 -179.806 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -97.89 -40.59 8.43 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.68 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.64 -36.36 82.39 Favored 'General case' 0 N--CA 1.475 0.794 0 N-CA-C 112.612 0.597 . . . . 0.0 112.612 -179.751 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.446 ' O ' ' HB2' ' A' ' 47' ' ' LEU . 7.0 mt -68.88 -28.3 66.57 Favored 'General case' 0 N--CA 1.472 0.625 0 CA-C-N 116.05 -0.523 . . . . 0.0 112.161 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 9.6 t80 -67.35 -41.07 85.78 Favored 'General case' 0 N--CA 1.472 0.656 0 O-C-N 123.263 0.352 . . . . 0.0 111.118 179.554 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -71.79 -38.82 70.23 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.549 178.779 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 53.2 m -69.19 -34.09 74.37 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.92 178.316 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.446 ' HB2' ' O ' ' A' ' 43' ' ' LEU . 3.7 tp -70.74 -35.96 72.91 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.298 179.16 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -71.14 -40.63 71.25 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.488 179.553 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -71.06 -39.19 63.38 Favored Glycine 0 C--N 1.344 1.016 0 CA-C-N 116.126 -0.488 . . . . 0.0 112.593 179.258 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.607 ' O ' HG23 ' A' ' 54' ' ' VAL . 42.3 mt-10 -70.54 -35.75 73.3 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 122.738 0.415 . . . . 0.0 111.049 179.231 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.417 ' HB2' ' O ' ' A' ' 47' ' ' LEU . 2.7 tt -70.35 -35.11 73.36 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.777 179.179 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -72.35 -33.51 67.33 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.292 178.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 18.9 p -73.79 -34.76 64.77 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.534 179.016 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.607 HG23 ' O ' ' A' ' 50' ' ' GLU . 87.7 t -73.63 -34.53 41.89 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.254 179.002 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 75.0 mttt -73.59 -35.02 65.35 Favored 'General case' 0 N--CA 1.471 0.583 0 O-C-N 123.354 0.409 . . . . 0.0 111.303 178.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -73.05 -34.13 66.1 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.292 178.862 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 18.2 p -73.48 -36.51 65.84 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.094 178.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.3 tt -70.61 -38.42 73.97 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.775 179.051 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.55 ' OE1' HD11 ' A' ' 62' ' ' ILE . 0.7 OUTLIER -69.6 -37.35 76.85 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.734 178.983 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.436 ' O ' ' HB2' ' A' ' 64' ' ' GLN . . . -69.85 -31.33 69.11 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.039 178.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.443 ' SD ' ' HD3' ' A' ' 17' ' ' LYS . 53.2 mmm -71.1 -44.55 65.43 Favored 'General case' 0 C--N 1.347 0.463 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.517 178.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.55 HD11 ' OE1' ' A' ' 59' ' ' GLN . 1.7 pt -75.56 -22.48 16.36 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 CA-C-N 116.177 -0.465 . . . . 0.0 112.023 179.539 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 2.7 tt -86.64 -26.1 24.54 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.149 179.341 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.436 ' HB2' ' O ' ' A' ' 60' ' ' ALA . 5.0 tt0 -88.21 -29.31 20.57 Favored 'General case' 0 N--CA 1.469 0.484 0 O-C-N 123.297 0.373 . . . . 0.0 111.578 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.482 ' HB3' ' NH1' ' A' ' 127' ' ' ARG . 18.5 mt -86.18 -30.02 22.77 Favored 'General case' 0 N--CA 1.469 0.52 0 N-CA-C 111.982 0.364 . . . . 0.0 111.982 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -94.08 118.75 67.21 Favored Pre-proline 0 CA--C 1.542 0.647 0 O-C-N 123.295 0.372 . . . . 0.0 110.893 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_exo -61.33 -22.94 75.97 Favored 'Trans proline' 0 C--N 1.376 2.013 0 C-N-CA 122.665 2.243 . . . . 0.0 113.697 179.597 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 18.9 p -93.61 135.64 34.68 Favored 'General case' 0 N--CA 1.468 0.427 0 O-C-N 123.349 0.405 . . . . 0.0 111.364 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 58.0 tttt -101.15 148.08 25.49 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.569 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -129.24 131.25 47.01 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.823 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -108.63 148.52 30.26 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.201 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -122.09 -115.28 2.31 Favored Glycine 0 C--N 1.338 0.641 0 CA-C-N 115.903 -0.59 . . . . 0.0 112.502 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -100.78 154.12 18.89 Favored 'General case' 0 C--O 1.234 0.283 0 O-C-N 123.63 0.253 . . . . 0.0 110.588 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -93.71 -39.22 10.89 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.647 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 16.6 t -96.41 147.6 23.65 Favored 'General case' 0 C--O 1.235 0.329 0 O-C-N 123.326 0.391 . . . . 0.0 110.793 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -110.51 126.24 54.18 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.206 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 37.0 p -131.98 142.16 49.52 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.694 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 90.7 m-85 -99.35 156.08 35.81 Favored Pre-proline 0 CA--C 1.539 0.536 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.013 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -76.83 158.81 34.95 Favored 'Trans proline' 0 C--N 1.375 1.958 0 C-N-CA 122.621 2.214 . . . . 0.0 112.748 179.782 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 6.8 t -137.59 123.21 19.79 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.937 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -100.57 146.7 26.8 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.228 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 146.21 152.52 5.66 Favored Glycine 0 C--N 1.338 0.661 0 CA-C-N 115.883 -0.599 . . . . 0.0 112.573 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -118.3 -42.23 2.8 Favored 'General case' 0 C--O 1.234 0.287 0 C-N-CA 122.36 0.264 . . . . 0.0 111.454 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -120.32 -41.98 2.59 Favored 'General case' 0 CA--C 1.534 0.34 0 O-C-N 123.379 0.425 . . . . 0.0 110.922 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 71.03 -50.49 0.68 Allowed 'General case' 0 N--CA 1.487 1.406 0 C-N-CA 124.479 1.112 . . . . 0.0 112.38 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 7.0 t -105.03 125.53 51.08 Favored 'General case' 0 N--CA 1.467 0.381 0 O-C-N 123.227 0.329 . . . . 0.0 111.029 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -129.72 139.06 51.43 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.872 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -114.37 -42.14 3.36 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.517 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 12.1 mt -109.13 131.42 55.09 Favored 'General case' 0 C--O 1.235 0.294 0 O-C-N 123.338 0.399 . . . . 0.0 110.976 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 3.7 m -137.19 157.13 74.93 Favored Pre-proline 0 CA--C 1.544 0.723 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.17 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_exo -76.14 -40.25 0.7 Allowed 'Trans proline' 0 C--N 1.375 1.951 0 C-N-CA 122.498 2.132 . . . . 0.0 112.909 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 34.3 ttt180 -134.06 151.51 51.44 Favored 'General case' 0 N--CA 1.466 0.34 0 O-C-N 123.402 0.439 . . . . 0.0 110.653 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -148.23 71.78 0.31 Allowed Glycine 0 C--N 1.338 0.694 0 CA-C-N 115.786 -0.643 . . . . 0.0 112.513 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 16.7 t -99.81 -43.52 6.4 Favored 'General case' 0 C--O 1.235 0.323 0 C-N-CA 122.266 0.226 . . . . 0.0 111.201 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -160.95 -153.26 6.91 Favored Glycine 0 C--N 1.342 0.876 0 O-C-N 123.404 0.44 . . . . 0.0 112.572 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 -129.67 145.39 51.52 Favored 'General case' 0 C--O 1.235 0.316 0 C-N-CA 122.364 0.265 . . . . 0.0 110.968 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -153.47 147.82 17.75 Favored Glycine 0 C--N 1.336 0.573 0 CA-C-N 115.892 -0.594 . . . . 0.0 112.472 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 58.9 mttp -129.21 135.4 48.77 Favored 'General case' 0 C--O 1.235 0.318 0 O-C-N 123.669 0.276 . . . . 0.0 110.986 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 17.7 m120 -132.46 -33.47 1.26 Allowed 'General case' 0 N--CA 1.468 0.425 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.415 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -93.18 -19.39 21.49 Favored 'General case' 0 N--CA 1.468 0.466 0 O-C-N 123.504 0.503 . . . . 0.0 112.1 -179.637 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -65.08 -36.04 83.04 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 112.908 0.707 . . . . 0.0 112.908 -179.311 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.452 ' H ' HD23 ' A' ' 102' ' ' LEU . 0.4 OUTLIER -86.39 -26.74 24.61 Favored 'General case' 0 N--CA 1.473 0.694 0 O-C-N 123.366 0.416 . . . . 0.0 111.888 179.851 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -72.27 -32.84 66.99 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 122.72 0.408 . . . . 0.0 111.852 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -64.71 -41.62 95.86 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 122.841 0.457 . . . . 0.0 111.824 179.569 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.447 ' O ' HD23 ' A' ' 109' ' ' LEU . 12.1 mptt -78.72 -33.35 46.82 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.581 179.81 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -71.57 -38.63 70.92 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.469 179.119 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' ASP . . . . . 0.442 ' OD2' ' HE3' ' A' ' 111' ' ' LYS . 2.6 t70 -75.87 -37.46 58.88 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.348 179.472 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 16.4 t -70.32 -39.17 74.92 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.072 179.358 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.447 HD23 ' O ' ' A' ' 105' ' ' LYS . 3.7 mm? -72.23 -36.46 69.12 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.109 179.332 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -68.94 -35.19 76.5 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.196 179.086 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.442 ' HE3' ' OD2' ' A' ' 107' ' ' ASP . 95.7 mttt -74.85 -31.34 61.62 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.896 178.849 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -73.5 -32.76 64.45 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.529 178.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.565 HD13 ' OE1' ' A' ' 29' ' ' GLU . 21.7 mt -78.98 -33.09 15.77 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 178.721 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -68.77 -37.65 79.49 Favored 'General case' 0 N--CA 1.472 0.665 0 O-C-N 123.344 0.402 . . . . 0.0 110.353 178.129 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 13.2 t80 -74.13 -35.74 64.13 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.886 178.404 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 7.7 tp -67.97 -34.83 77.3 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.671 178.64 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.517 ' O ' HG13 ' A' ' 120' ' ' ILE . 36.3 tttt -72.95 -39.25 66.36 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.762 179.326 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 118' ' ' ASP . . . . . 0.491 ' O ' ' HB2' ' A' ' 122' ' ' GLU . 18.0 m-20 -69.32 -29.26 67.05 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.209 177.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.569 ' O ' HG22 ' A' ' 123' ' ' VAL . 13.8 mt -72.62 -42.76 64.11 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.406 179.279 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 120' ' ' ILE . . . . . 0.517 HG13 ' O ' ' A' ' 117' ' ' LYS . 1.3 pp -70.15 -35.55 63.97 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 O-C-N 123.353 0.408 . . . . 0.0 111.034 178.856 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -73.07 -29.21 62.79 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.373 178.753 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' GLU . . . . . 0.491 ' HB2' ' O ' ' A' ' 118' ' ' ASP . 11.0 tt0 -75.79 -37.62 59.01 Favored 'General case' 0 C--N 1.348 0.515 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.354 179.778 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.569 HG22 ' O ' ' A' ' 119' ' ' LEU . 3.1 m -74.37 -33.16 32.91 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 O-C-N 123.3 0.375 . . . . 0.0 110.833 178.64 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 124' ' ' ARG . . . . . 0.405 HH21 ' HB3' ' A' ' 18' ' ' CYS . 47.3 mtt180 -70.57 -40.48 73.3 Favored 'General case' 0 C--N 1.348 0.512 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.254 178.348 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -74.44 -33.49 62.94 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 115.937 -0.574 . . . . 0.0 112.074 179.66 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -75.31 -43.53 50.38 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 116.071 -0.513 . . . . 0.0 112.318 -179.662 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' ARG . . . . . 0.482 ' NH1' ' HB3' ' A' ' 65' ' ' LEU . 18.9 ttt180 -117.41 130.82 56.73 Favored 'General case' 0 C--O 1.235 0.309 0 O-C-N 123.381 0.425 . . . . 0.0 110.787 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 149.28 134.43 2.35 Favored Glycine 0 C--N 1.336 0.562 0 CA-C-N 115.779 -0.646 . . . . 0.0 112.473 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -97.75 -40.96 8.3 Favored 'General case' 0 C--O 1.236 0.345 0 C-N-CA 122.317 0.247 . . . . 0.0 111.257 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 59.1 mttp -99.56 131.41 45.57 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.838 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 36.5 ttt180 -99.21 -42.76 6.89 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.916 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 3.8 m -97.41 158.42 33.18 Favored Pre-proline 0 CA--C 1.544 0.746 0 O-C-N 123.428 0.455 . . . . 0.0 111.278 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_exo . . . . . 0 C--N 1.376 1.976 0 C-N-CA 122.574 2.183 . . . . 0.0 112.783 179.848 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.205 0 CA-C-O 119.201 -0.777 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -75.79 141.57 24.58 Favored 'Trans proline' 0 C--N 1.37 1.674 0 C-N-CA 123.059 2.506 . . . . 0.0 112.805 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 27.3 m-90 -110.85 147.29 34.86 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.916 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -111.42 137.86 48.67 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.885 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -112.21 149.69 31.92 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.891 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -98.57 113.81 26.0 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.881 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 53.5 m -138.46 -42.09 0.5 Allowed 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.181 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 60.9 m80 -107.53 -35.11 6.83 Favored 'General case' 0 N--CA 1.466 0.345 0 O-C-N 123.434 0.459 . . . . 0.0 111.557 -179.754 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.432 ' H ' HG13 ' A' ' 9' ' ' ILE . 1.1 pp -91.37 89.56 3.02 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.516 0 CA-C-O 121.237 0.542 . . . . 0.0 111.717 -179.696 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.8 m -149.25 -34.73 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 CA-C-N 115.298 -0.865 . . . . 0.0 111.276 179.615 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 14.8 t -86.48 -12.84 47.82 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.763 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -97.36 -17.39 19.76 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.665 179.762 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -91.26 -22.04 20.79 Favored 'General case' 0 N--CA 1.47 0.536 0 O-C-N 123.37 0.419 . . . . 0.0 111.703 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.7 m -67.02 -39.04 82.51 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 N-CA-C 112.717 0.636 . . . . 0.0 112.717 -179.728 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -64.98 -41.4 97.33 Favored Glycine 0 C--N 1.342 0.91 0 O-C-N 123.459 0.474 . . . . 0.0 113.771 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -74.7 -34.66 62.67 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 122.521 0.329 . . . . 0.0 111.42 179.803 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -74.16 -33.87 63.63 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.919 179.118 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.404 ' HA ' HG22 ' A' ' 21' ' ' ILE . 38.0 t -72.24 -38.61 68.88 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.895 178.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -70.38 -37.24 74.5 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.488 179.138 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -71.91 -38.79 69.87 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.539 179.582 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.404 HG22 ' HA ' ' A' ' 18' ' ' CYS . 1.2 tt -71.85 -29.13 32.46 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.815 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.377 179.077 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -71.89 -41.36 55.63 Favored Glycine 0 C--N 1.349 1.269 0 CA-C-N 115.837 -0.62 . . . . 0.0 112.271 178.629 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 9.2 p -70.92 -32.09 47.51 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.873 0 CA-C-O 120.652 0.263 . . . . 0.0 110.547 178.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -70.54 -38.42 74.2 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 115.802 -0.636 . . . . 0.0 111.138 178.707 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.419 ' O ' ' HG3' ' A' ' 29' ' ' GLU . 21.5 mt -69.75 -38.47 76.82 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.543 179.414 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 13.3 mt -68.45 -38.36 81.07 Favored 'General case' 0 N--CA 1.471 0.601 0 O-C-N 123.271 0.357 . . . . 0.0 111.224 179.01 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 5.0 t-80 -69.45 -34.51 74.5 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.885 179.025 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.431 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 23.2 mt -74.76 -29.03 61.0 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.205 178.886 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.419 ' HG3' ' O ' ' A' ' 25' ' ' LEU . 40.9 mt-10 -71.18 -41.14 70.7 Favored 'General case' 0 C--N 1.348 0.509 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.755 178.856 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -69.73 -37.71 76.61 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.75 178.352 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -74.16 -24.24 59.37 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.137 178.839 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.476 ' O ' ' HB2' ' A' ' 36' ' ' MET . 3.3 tp -76.26 -40.41 51.94 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.695 179.255 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.453 ' O ' ' HD1' ' A' ' 37' ' ' TYR . 4.7 tp -70.3 -38.97 75.11 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.624 178.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -72.05 -34.07 61.95 Favored Glycine 0 C--N 1.343 0.97 0 CA-C-N 115.694 -0.685 . . . . 0.0 112.975 179.044 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -81.35 -23.3 37.84 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 112.271 0.471 . . . . 0.0 112.271 179.557 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.476 ' HB2' ' O ' ' A' ' 32' ' ' LEU . 7.9 ttt -83.2 -38.03 22.83 Favored 'General case' 0 N--CA 1.47 0.561 0 O-C-N 123.251 0.344 . . . . 0.0 111.767 -179.786 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.453 ' HD1' ' O ' ' A' ' 33' ' ' LEU . 34.7 m-85 -81.18 -35.93 30.8 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 112.271 0.471 . . . . 0.0 112.271 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 52.4 m -86.48 -20.24 28.37 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 112.1 0.407 . . . . 0.0 112.1 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 66.8 m80 62.01 112.23 0.02 OUTLIER 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 123.819 0.848 . . . . 0.0 111.859 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.4 ' CB ' HD12 ' A' ' 43' ' ' LEU . 3.4 t70 -140.4 176.18 8.99 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.54 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -120.36 -43.53 2.51 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.257 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.98 -36.19 81.64 Favored 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 112.942 0.719 . . . . 0.0 112.942 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.4 HD12 ' CB ' ' A' ' 40' ' ' ASP . 13.2 mt -69.63 -32.39 71.05 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 112.357 0.503 . . . . 0.0 112.357 -179.39 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -68.96 -32.09 71.43 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 122.419 0.287 . . . . 0.0 111.591 179.608 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -76.17 -40.95 51.23 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.235 178.612 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 16.7 t -69.1 -37.91 78.66 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.841 178.589 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 15.6 mt -70.74 -36.71 73.29 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.58 179.187 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -67.75 -40.82 84.07 Favored 'General case' 0 N--CA 1.472 0.63 0 O-C-N 123.515 0.509 . . . . 0.0 111.227 179.614 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -71.26 -36.63 63.53 Favored Glycine 0 C--N 1.342 0.887 0 CA-C-N 115.981 -0.554 . . . . 0.0 112.64 179.094 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.602 ' O ' HG23 ' A' ' 54' ' ' VAL . 42.5 mt-10 -71.8 -37.32 70.42 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 122.721 0.408 . . . . 0.0 111.177 179.344 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 20.5 mt -70.55 -34.82 72.67 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.103 179.138 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -71.74 -35.14 70.05 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.071 179.01 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 19.6 p -72.74 -35.05 67.43 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.716 179.226 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.602 HG23 ' O ' ' A' ' 50' ' ' GLU . 80.2 t -74.48 -33.89 34.23 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.279 178.863 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -71.93 -35.81 69.76 Favored 'General case' 0 N--CA 1.471 0.622 0 O-C-N 123.396 0.435 . . . . 0.0 111.216 179.116 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -72.83 -38.88 66.99 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.055 179.086 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 19.1 p -72.56 -31.2 65.07 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.024 178.838 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.449 ' HB2' ' O ' ' A' ' 54' ' ' VAL . 2.8 tt -71.87 -38.31 70.07 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.567 179.046 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -69.28 -38.61 78.43 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.881 178.755 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.9 -31.32 69.04 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.253 178.784 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 80.0 mtp -71.5 -41.72 68.93 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.577 179.187 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 2.1 pp -75.56 -26.58 18.35 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 O-C-N 123.379 0.424 . . . . 0.0 111.847 179.592 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.4 tp -83.1 -27.31 30.28 Favored 'General case' 0 CA--C 1.538 0.494 0 O-C-N 123.5 0.5 . . . . 0.0 111.269 179.442 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 -86.78 -30.63 21.42 Favored 'General case' 0 N--CA 1.468 0.47 0 O-C-N 123.346 0.404 . . . . 0.0 111.882 179.719 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 16.7 mt -92.85 -37.81 12.08 Favored 'General case' 0 N--CA 1.468 0.452 0 O-C-N 123.216 0.322 . . . . 0.0 111.492 -179.761 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -118.92 121.78 30.24 Favored Pre-proline 0 CA--C 1.54 0.593 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.96 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_exo -63.25 -36.08 59.25 Favored 'Trans proline' 0 C--N 1.375 1.969 0 C-N-CA 122.54 2.16 . . . . 0.0 113.239 179.425 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 40.9 p 52.16 108.48 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 124.4 1.08 . . . . 0.0 113.02 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -103.47 138.77 39.73 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.754 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -128.24 148.02 50.61 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.961 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -123.68 -42.82 2.17 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.434 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 145.63 55.22 0.02 OUTLIER Glycine 0 C--N 1.342 0.876 0 CA-C-N 116.225 -0.443 . . . . 0.0 112.577 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -129.83 145.4 51.58 Favored 'General case' 0 C--O 1.236 0.353 0 C-N-CA 122.367 0.267 . . . . 0.0 110.878 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -116.35 -42.79 2.99 Favored 'General case' 0 C--O 1.234 0.269 0 O-C-N 123.651 0.594 . . . . 0.0 111.431 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 50.1 m -127.43 131.98 50.16 Favored 'General case' 0 C--O 1.236 0.359 0 O-C-N 123.345 0.403 . . . . 0.0 110.977 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -126.77 -41.3 1.84 Allowed 'General case' 0 C--O 1.234 0.266 0 O-C-N 123.665 0.603 . . . . 0.0 111.634 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 51.9 m -98.0 -42.2 7.62 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.468 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 11.5 t80 -125.42 112.55 25.75 Favored Pre-proline 0 CA--C 1.544 0.738 0 O-C-N 123.337 0.398 . . . . 0.0 110.678 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_exo -66.29 147.45 83.29 Favored 'Trans proline' 0 C--N 1.375 1.968 0 C-N-CA 122.618 2.212 . . . . 0.0 112.855 179.477 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 18.6 p -137.35 129.4 29.16 Favored 'General case' 0 C--O 1.236 0.389 0 O-C-N 123.631 0.582 . . . . 0.0 111.092 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -125.83 -42.56 1.9 Allowed 'General case' 0 C--O 1.236 0.355 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.366 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 121.3 78.84 0.51 Allowed Glycine 0 C--N 1.338 0.691 0 O-C-N 123.422 0.451 . . . . 0.0 112.44 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -125.86 139.84 53.15 Favored 'General case' 0 C--O 1.234 0.259 0 O-C-N 123.602 0.236 . . . . 0.0 111.071 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 54.7 mt-30 -101.25 132.73 46.62 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.856 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -128.65 145.88 51.03 Favored 'General case' 0 N--CA 1.465 0.307 0 O-C-N 123.684 0.615 . . . . 0.0 110.897 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 18.8 p -125.72 141.35 52.05 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.032 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -116.44 130.8 56.96 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.881 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . 62.52 125.26 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 123.902 0.881 . . . . 0.0 112.28 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 5.8 mp -116.93 128.74 55.52 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 115.778 -0.647 . . . . 0.0 110.795 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 4.0 m -140.5 158.22 66.56 Favored Pre-proline 0 CA--C 1.546 0.79 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.281 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_exo -75.54 155.77 40.53 Favored 'Trans proline' 0 C--N 1.376 2.02 0 C-N-CA 122.532 2.155 . . . . 0.0 112.757 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 -129.5 131.04 46.56 Favored 'General case' 0 C--O 1.235 0.313 0 O-C-N 123.663 0.602 . . . . 0.0 110.87 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -117.03 -61.1 0.31 Allowed Glycine 0 C--N 1.336 0.55 0 O-C-N 123.713 0.633 . . . . 0.0 112.465 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 39.1 p -114.1 138.77 49.98 Favored 'General case' 0 C--O 1.236 0.387 0 O-C-N 123.641 0.259 . . . . 0.0 110.929 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 152.0 130.92 1.66 Allowed Glycine 0 C--N 1.336 0.564 0 CA-C-N 115.942 -0.572 . . . . 0.0 112.524 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 32.8 p90 -128.63 -43.72 1.39 Allowed 'General case' 0 N--CA 1.466 0.355 0 O-C-N 123.615 0.244 . . . . 0.0 111.414 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -144.03 -151.66 5.49 Favored Glycine 0 C--N 1.339 0.72 0 CA-C-N 116.189 -0.46 . . . . 0.0 112.506 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 97.9 mttt 64.0 142.68 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 123.946 0.898 . . . . 0.0 112.225 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 43.1 m-80 63.68 15.4 8.93 Favored 'General case' 0 N--CA 1.488 1.442 0 C-N-CA 123.946 0.898 . . . . 0.0 112.617 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -122.53 -34.75 3.2 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.228 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -76.8 -29.63 56.09 Favored 'General case' 0 N--CA 1.47 0.551 0 O-C-N 123.52 0.512 . . . . 0.0 111.727 179.611 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 12.4 mt -82.95 -26.67 31.15 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.88 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -72.67 -34.82 67.49 Favored 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 112.165 0.431 . . . . 0.0 112.165 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -64.78 -44.24 90.64 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 122.807 0.443 . . . . 0.0 111.729 179.691 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.503 ' O ' HD23 ' A' ' 109' ' ' LEU . 58.7 mttp -75.84 -33.95 60.07 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.381 179.76 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -71.59 -34.93 70.32 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.573 179.182 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -75.88 -38.17 58.14 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.409 179.663 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 51.4 m -68.82 -40.63 79.41 Favored 'General case' 0 N--CA 1.471 0.603 0 O-C-N 123.3 0.375 . . . . 0.0 111.433 179.425 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.503 HD23 ' O ' ' A' ' 105' ' ' LYS . 4.3 mm? -73.02 -36.32 66.95 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.316 179.34 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.414 ' O ' ' HG3' ' A' ' 114' ' ' GLN . . . -68.46 -34.8 76.59 Favored 'General case' 0 N--CA 1.471 0.582 0 O-C-N 123.393 0.433 . . . . 0.0 111.294 179.27 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.476 ' O ' ' HD1' ' A' ' 115' ' ' TYR . 21.7 mmtp -73.36 -35.95 66.05 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.795 178.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.48 ' O ' ' HB2' ' A' ' 116' ' ' LEU . 44.5 mt-10 -70.5 -31.2 68.2 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.288 178.872 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 29.0 mt -77.97 -32.89 17.84 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 178.435 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' GLN . . . . . 0.414 ' HG3' ' O ' ' A' ' 110' ' ' ALA . 53.1 mt-30 -67.24 -39.61 86.21 Favored 'General case' 0 N--CA 1.472 0.637 0 O-C-N 123.382 0.426 . . . . 0.0 110.82 178.556 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' TYR . . . . . 0.476 ' HD1' ' O ' ' A' ' 111' ' ' LYS . 23.4 m-85 -74.31 -35.82 63.68 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.03 178.139 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.628 ' O ' HG12 ' A' ' 120' ' ' ILE . 4.8 tp -68.05 -40.06 82.88 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 115.305 -0.861 . . . . 0.0 110.708 178.801 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -71.16 -33.46 70.03 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.813 179.027 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -68.67 -34.55 75.87 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.68 178.203 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 12.5 mt -72.03 -36.78 69.77 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.3 179.017 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' ILE . . . . . 0.628 HG12 ' O ' ' A' ' 116' ' ' LEU . 46.6 mm -69.67 -35.52 66.14 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 O-C-N 123.398 0.436 . . . . 0.0 110.18 178.384 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -72.89 -32.2 65.2 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.367 179.117 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -75.5 -33.02 60.73 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.557 179.468 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 10.0 p -76.93 -34.43 22.25 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.775 0 O-C-N 123.327 0.392 . . . . 0.0 110.45 178.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -71.06 -38.03 72.49 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.153 178.453 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 53.8 tttt -74.03 -38.24 64.09 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.637 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -75.29 -41.8 56.25 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 116.152 -0.476 . . . . 0.0 112.184 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 23.5 mtp180 -123.99 138.22 54.49 Favored 'General case' 0 C--O 1.236 0.366 0 O-C-N 123.31 0.381 . . . . 0.0 110.881 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 102.12 145.51 16.32 Favored Glycine 0 C--N 1.336 0.56 0 CA-C-N 115.885 -0.598 . . . . 0.0 112.386 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -99.56 129.73 45.74 Favored 'General case' 0 C--O 1.235 0.333 0 C-N-CA 122.335 0.254 . . . . 0.0 110.86 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -102.18 130.67 48.89 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.853 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 62.97 125.19 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.303 0 C-N-CA 123.881 0.872 . . . . 0.0 112.054 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 3.9 m -120.69 158.78 50.91 Favored Pre-proline 0 CA--C 1.545 0.762 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.224 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 6.6 Cg_exo . . . . . 0 C--N 1.376 2.013 0 C-N-CA 122.62 2.214 . . . . 0.0 112.721 179.938 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.145 0 CA-C-O 119.237 -0.757 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 4.7 Cg_exo -76.06 135.94 17.76 Favored 'Trans proline' 0 C--N 1.371 1.736 0 C-N-CA 123.073 2.515 . . . . 0.0 112.798 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 31.2 m-90 -101.9 140.14 36.59 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.728 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 54.4 tttt -101.77 138.69 38.42 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.423 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -101.46 129.85 47.59 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.594 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -112.83 124.39 52.47 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.776 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 52.7 m -135.19 -41.99 0.72 Allowed 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.465 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 67.5 m-70 -126.67 -30.65 2.77 Favored 'General case' 0 N--CA 1.467 0.417 0 O-C-N 123.42 0.45 . . . . 0.0 111.826 -179.615 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.413 ' H ' HG13 ' A' ' 9' ' ' ILE . 1.1 pp -87.71 89.94 3.19 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.566 0 CA-C-O 121.191 0.52 . . . . 0.0 111.7 -179.768 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.6 m -149.83 -37.51 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 CA-C-N 115.313 -0.858 . . . . 0.0 111.27 179.756 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 14.9 t -89.54 -15.25 33.34 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.738 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -96.65 -14.45 22.12 Favored 'General case' 0 C--O 1.236 0.37 0 O-C-N 123.239 0.337 . . . . 0.0 111.826 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -93.04 -22.28 19.23 Favored 'General case' 0 N--CA 1.468 0.468 0 O-C-N 123.355 0.409 . . . . 0.0 111.848 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.7 m -66.04 -39.81 85.53 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.951 0 N-CA-C 112.789 0.663 . . . . 0.0 112.789 -179.648 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -70.68 -40.53 65.76 Favored Glycine 0 C--N 1.343 0.943 0 CA-C-N 116.185 -0.461 . . . . 0.0 113.389 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -73.58 -35.3 65.42 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 122.61 0.364 . . . . 0.0 111.581 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.669 ' O ' HG12 ' A' ' 21' ' ' ILE . 92.5 mttt -71.76 -36.62 70.44 Favored 'General case' 0 N--CA 1.469 0.521 0 O-C-N 123.476 0.485 . . . . 0.0 111.225 179.328 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 89.4 m -72.08 -36.86 69.63 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.008 179.099 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.559 ' O ' HG22 ' A' ' 23' ' ' VAL . 41.6 mt-10 -70.03 -34.3 73.09 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.464 178.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.81 -41.19 65.16 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.789 179.608 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.669 HG12 ' O ' ' A' ' 17' ' ' LYS . 32.2 mm -72.4 -27.19 25.63 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 N-CA-C 109.811 -0.441 . . . . 0.0 109.811 178.727 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -70.34 -44.95 57.48 Favored Glycine 0 C--N 1.348 1.25 0 O-C-N 123.594 0.559 . . . . 0.0 112.34 178.557 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.559 HG22 ' O ' ' A' ' 19' ' ' GLU . 3.1 m -71.31 -33.04 49.0 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 CA-C-O 120.665 0.269 . . . . 0.0 111.254 179.018 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.456 ' O ' ' HB2' ' A' ' 28' ' ' LEU . 96.6 mttt -73.57 -33.48 64.68 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.911 178.735 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.46 ' HB2' ' O ' ' A' ' 21' ' ' ILE . 4.8 tp -69.78 -40.64 75.92 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.9 178.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.6 mt -68.9 -40.47 79.11 Favored 'General case' 0 N--CA 1.473 0.686 0 O-C-N 123.392 0.433 . . . . 0.0 110.995 179.104 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 5.0 t-80 -70.11 -31.59 69.22 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.623 178.857 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.488 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 3.6 tp -74.86 -29.25 60.97 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.775 178.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.432 ' HG3' ' O ' ' A' ' 25' ' ' LEU . 41.2 mt-10 -72.74 -41.11 65.49 Favored 'General case' 0 N--CA 1.47 0.56 0 O-C-N 123.471 0.482 . . . . 0.0 110.829 178.823 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -69.35 -37.47 77.67 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.596 178.533 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -74.21 -26.2 60.12 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.965 178.581 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.488 ' HB2' ' O ' ' A' ' 28' ' ' LEU . 3.3 tt -72.49 -40.82 66.6 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.68 179.163 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.434 ' O ' ' HD2' ' A' ' 37' ' ' TYR . 4.9 tp -70.67 -39.9 73.28 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.439 178.831 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -72.04 -26.88 71.42 Favored Glycine 0 C--N 1.343 0.924 0 CA-C-N 115.713 -0.676 . . . . 0.0 112.949 178.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -81.15 -33.07 33.39 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 122.68 0.392 . . . . 0.0 111.993 179.572 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 47.8 mtt -79.91 -33.45 39.81 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 112.286 0.476 . . . . 0.0 112.286 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.434 ' HD2' ' O ' ' A' ' 33' ' ' LEU . 24.4 m-85 -81.17 -41.6 22.13 Favored 'General case' 0 N--CA 1.472 0.635 0 O-C-N 123.291 0.369 . . . . 0.0 111.886 179.719 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 14.1 t -86.81 -18.4 31.1 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.82 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 72.5 m-70 62.62 113.67 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 123.889 0.876 . . . . 0.0 111.876 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -140.97 167.96 20.93 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.88 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -114.95 -41.38 3.36 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.382 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.95 -30.56 70.72 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 112.826 0.676 . . . . 0.0 112.826 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.472 ' O ' ' HB2' ' A' ' 47' ' ' LEU . 3.6 mt -69.95 -28.48 65.6 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 112.594 0.591 . . . . 0.0 112.594 -179.675 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 45.3 m-85 -74.24 -35.79 63.86 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 122.41 0.284 . . . . 0.0 111.517 179.287 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 13.7 tt0 -72.14 -41.65 66.91 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.515 179.27 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 54.2 m -69.1 -33.71 73.93 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.052 178.675 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.472 ' HB2' ' O ' ' A' ' 43' ' ' LEU . 2.2 tt -70.75 -36.23 73.02 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.128 179.244 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 54.3 mt-30 -71.42 -38.98 71.37 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.403 179.513 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -71.32 -36.38 63.37 Favored Glycine 0 C--N 1.344 0.981 0 CA-C-N 116.059 -0.519 . . . . 0.0 112.62 179.181 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.554 ' O ' HG23 ' A' ' 54' ' ' VAL . 42.2 mt-10 -72.03 -35.97 69.52 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 122.717 0.407 . . . . 0.0 111.093 179.247 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.8 tp -71.32 -34.98 71.05 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.79 179.2 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 54.1 mt-30 -72.97 -33.01 65.6 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.22 178.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 19.6 p -74.52 -34.59 63.06 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.494 179.12 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.554 HG23 ' O ' ' A' ' 50' ' ' GLU . 97.3 t -74.83 -34.04 32.25 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 O-C-N 123.373 0.421 . . . . 0.0 110.271 178.884 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -72.69 -36.71 67.93 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.238 179.081 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -73.12 -36.01 66.64 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.259 179.07 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 18.4 p -74.06 -33.23 63.62 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.09 178.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.7 tp -71.85 -39.39 69.75 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.523 179.236 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.417 ' O ' HG13 ' A' ' 62' ' ' ILE . 47.1 mt-30 -69.76 -37.83 76.54 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.993 178.905 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.98 -31.04 68.53 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 115.723 -0.672 . . . . 0.0 111.236 178.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.524 ' O ' ' HB2' ' A' ' 65' ' ' LEU . 4.6 tmm? -72.1 -43.72 64.33 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.994 179.223 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.417 HG13 ' O ' ' A' ' 59' ' ' GLN . 1.4 pt -75.31 -22.64 16.7 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 O-C-N 123.355 0.409 . . . . 0.0 111.644 179.247 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.4 ' HB2' ' O ' ' A' ' 59' ' ' GLN . 4.9 tp -80.66 -32.78 35.98 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.47 178.821 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 -88.82 -17.35 29.91 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.082 178.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.524 ' HB2' ' O ' ' A' ' 61' ' ' MET . 2.8 tt -76.19 -36.91 58.43 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 122.969 0.508 . . . . 0.0 111.455 179.506 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -95.92 158.39 34.28 Favored Pre-proline 0 CA--C 1.541 0.609 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.888 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_exo -73.57 135.53 22.14 Favored 'Trans proline' 0 C--N 1.376 1.979 0 C-N-CA 122.522 2.148 . . . . 0.0 112.779 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 7.3 t -138.84 149.14 44.58 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 115.822 -0.627 . . . . 0.0 111.089 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -124.27 135.08 53.13 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.915 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -128.01 146.63 50.61 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.599 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -99.88 132.01 45.5 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.026 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 106.06 117.37 4.28 Favored Glycine 0 C--N 1.337 0.601 0 CA-C-N 115.868 -0.606 . . . . 0.0 112.52 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -120.24 131.35 54.91 Favored 'General case' 0 C--O 1.235 0.331 0 O-C-N 123.608 0.24 . . . . 0.0 110.786 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -111.28 138.53 47.63 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.037 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 53.7 m -99.64 -42.23 6.97 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.291 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -119.53 138.56 53.1 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.025 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 51.7 m -115.92 130.19 56.72 Favored 'General case' 0 C--O 1.235 0.303 0 O-C-N 123.601 0.563 . . . . 0.0 110.941 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 91.1 m-85 -129.86 157.73 75.91 Favored Pre-proline 0 CA--C 1.539 0.557 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.759 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -74.73 126.29 10.04 Favored 'Trans proline' 0 C--N 1.376 1.974 0 C-N-CA 122.513 2.142 . . . . 0.0 112.738 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 18.5 p -141.59 -48.11 0.38 Allowed 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.239 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -129.05 148.93 51.05 Favored 'General case' 0 C--O 1.234 0.288 0 O-C-N 123.447 0.467 . . . . 0.0 111.156 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -109.21 -63.34 0.54 Allowed Glycine 0 C--N 1.336 0.582 0 O-C-N 123.677 0.611 . . . . 0.0 112.473 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -125.92 148.93 49.09 Favored 'General case' 0 C--O 1.236 0.374 0 O-C-N 123.663 0.273 . . . . 0.0 111.039 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -98.46 141.0 31.87 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.953 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -102.6 147.13 27.17 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.931 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 7.5 t -136.21 152.59 50.93 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.103 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -99.71 138.66 36.49 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.818 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . 61.5 120.08 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 123.916 0.886 . . . . 0.0 112.313 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 11.8 mt -132.17 143.54 50.04 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.792 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 3.1 m -125.96 93.93 42.85 Favored Pre-proline 0 CA--C 1.548 0.866 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.308 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_exo -72.14 -36.87 5.22 Favored 'Trans proline' 0 C--N 1.372 1.805 0 C-N-CA 122.652 2.234 . . . . 0.0 113.051 179.559 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 62.97 127.08 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 123.941 0.896 . . . . 0.0 112.012 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 159.72 61.1 0.01 OUTLIER Glycine 0 C--N 1.338 0.69 0 CA-C-N 115.806 -0.633 . . . . 0.0 112.468 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 53.1 m -107.15 144.53 33.75 Favored 'General case' 0 C--O 1.234 0.265 0 C-N-CA 122.319 0.247 . . . . 0.0 110.866 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -157.41 75.35 0.21 Allowed Glycine 0 C--N 1.337 0.632 0 CA-C-N 115.776 -0.647 . . . . 0.0 112.527 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -106.11 132.53 52.07 Favored 'General case' 0 C--O 1.236 0.386 0 O-C-N 123.608 0.24 . . . . 0.0 110.932 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 100.18 -154.87 19.52 Favored Glycine 0 C--N 1.337 0.62 0 O-C-N 123.63 0.581 . . . . 0.0 112.669 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 59.0 mttp -124.05 -42.15 2.17 Favored 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 122.303 0.241 . . . . 0.0 111.157 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 42.0 m-80 -98.21 155.5 17.14 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.928 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 71.13 -28.04 0.18 Allowed 'General case' 0 N--CA 1.49 1.539 0 C-N-CA 124.347 1.059 . . . . 0.0 112.809 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -76.97 -30.42 55.97 Favored 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 112.211 0.449 . . . . 0.0 112.211 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 13.1 mt -86.28 -30.23 22.45 Favored 'General case' 0 N--CA 1.471 0.622 0 O-C-N 123.425 0.453 . . . . 0.0 111.597 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -74.14 -39.78 63.07 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 122.675 0.39 . . . . 0.0 111.723 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -64.68 -39.12 93.13 Favored 'General case' 0 N--CA 1.474 0.742 0 O-C-N 123.421 0.451 . . . . 0.0 111.659 179.507 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -76.11 -35.86 59.13 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.544 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -71.41 -38.29 71.45 Favored 'General case' 0 N--CA 1.47 0.552 0 O-C-N 123.473 0.483 . . . . 0.0 111.561 179.495 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -75.65 -33.46 60.46 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.624 179.384 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 57.9 m -71.66 -39.16 70.51 Favored 'General case' 0 N--CA 1.47 0.558 0 O-C-N 123.188 0.305 . . . . 0.0 111.227 179.306 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 21.7 mt -72.82 -37.59 67.44 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.206 179.344 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -69.47 -34.71 74.77 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.392 179.195 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.462 ' O ' ' HD2' ' A' ' 115' ' ' TYR . 93.4 mttt -74.99 -32.24 61.62 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.902 179.018 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -73.25 -32.7 64.87 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.404 178.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 27.1 mt -78.62 -33.01 16.5 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 178.575 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -69.59 -36.69 76.46 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.809 178.565 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' TYR . . . . . 0.462 ' HD2' ' O ' ' A' ' 111' ' ' LYS . 9.5 m-85 -75.55 -35.89 60.56 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.25 177.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 9.8 tp -70.34 -39.46 74.68 Favored 'General case' 0 C--O 1.239 0.529 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.913 179.107 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 92.5 mttt -72.38 -36.07 68.62 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.806 179.181 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -69.26 -33.55 73.41 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.067 178.715 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.576 ' O ' HG23 ' A' ' 123' ' ' VAL . 17.7 mt -70.82 -43.71 68.02 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.381 179.549 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 120' ' ' ILE . . . . . 0.457 ' O ' ' HB2' ' A' ' 124' ' ' ARG . 1.9 pp -70.59 -30.75 43.78 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 O-C-N 123.222 0.326 . . . . 0.0 111.29 179.174 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -73.22 -33.06 65.13 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.452 178.593 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -73.78 -39.02 64.48 Favored 'General case' 0 N--CA 1.472 0.671 0 O-C-N 123.389 0.43 . . . . 0.0 111.501 179.64 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.576 HG23 ' O ' ' A' ' 119' ' ' LEU . 22.2 t -73.7 -34.74 42.01 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 CA-C-N 116.327 -0.397 . . . . 0.0 109.979 178.862 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 124' ' ' ARG . . . . . 0.457 ' HB2' ' O ' ' A' ' 120' ' ' ILE . 38.7 ttt180 -70.95 -40.39 72.04 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.203 179.048 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -74.2 -30.25 62.12 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.95 179.614 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -75.09 -41.03 59.56 Favored 'General case' 0 N--CA 1.47 0.538 0 O-C-N 123.419 0.449 . . . . 0.0 112.089 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 33.3 ttt180 -119.84 128.4 53.64 Favored 'General case' 0 C--O 1.234 0.269 0 O-C-N 123.333 0.396 . . . . 0.0 110.637 179.767 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 167.55 144.63 4.21 Favored Glycine 0 C--N 1.337 0.594 0 CA-C-N 115.778 -0.647 . . . . 0.0 112.42 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -103.6 145.25 30.33 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 120.63 0.252 . . . . 0.0 110.87 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -129.48 131.12 46.61 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.787 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 76.5 mtp180 -107.53 128.4 54.48 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.995 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 132' ' ' VAL . . . . . 0.636 ' H ' ' HD3' ' A' ' 133' ' ' PRO . 3.6 m -115.55 -31.8 0.1 OUTLIER Pre-proline 0 CA--C 1.553 1.087 0 CA-C-O 118.13 -0.938 . . . . 0.0 113.333 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 133' ' ' PRO . . . . . 0.636 ' HD3' ' H ' ' A' ' 132' ' ' VAL . 2.9 Cg_exo . . . . . 0 C--N 1.382 2.325 0 C-N-CA 122.058 1.839 . . . . 0.0 112.743 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.237 0 CA-C-O 119.216 -0.769 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.469 ' HB2' ' CE3' ' A' ' 3' ' ' TRP . 5.3 Cg_exo -75.57 -36.04 2.44 Favored 'Trans proline' 0 C--N 1.369 1.609 0 C-N-CA 123.052 2.501 . . . . 0.0 113.077 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 0.469 ' CE3' ' HB2' ' A' ' 2' ' ' PRO . 30.5 m-90 -115.48 131.76 56.83 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.904 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 29.5 tttp -113.66 135.47 53.89 Favored 'General case' 0 C--O 1.234 0.285 0 O-C-N 123.611 0.57 . . . . 0.0 110.593 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -112.5 124.6 52.87 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.088 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 56.67 104.2 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 123.881 0.872 . . . . 0.0 112.224 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 49.2 m -135.85 -44.84 0.66 Allowed 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.734 179.608 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 62.6 m80 -126.66 96.91 4.81 Favored 'General case' 0 C--O 1.238 0.464 0 CA-C-O 121.18 0.514 . . . . 0.0 110.302 179.439 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.2 pp -143.05 2.05 0.36 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.544 0 CA-C-N 115.392 -0.822 . . . . 0.0 111.763 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 10.0 m -89.7 50.35 0.1 OUTLIER 'Isoleucine or valine' 0 CA--C 1.542 0.671 0 CA-C-O 121.219 0.533 . . . . 0.0 111.185 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 15.2 t -128.07 -39.64 1.73 Allowed 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.4 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -92.71 -21.97 19.67 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 116.27 -0.423 . . . . 0.0 112.095 -179.741 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -91.55 -22.41 20.36 Favored 'General case' 0 N--CA 1.468 0.438 0 O-C-N 123.267 0.354 . . . . 0.0 111.865 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.0 m -77.49 -40.84 29.02 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 N-CA-C 112.367 0.506 . . . . 0.0 112.367 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.539 ' O ' ' HB2' ' A' ' 19' ' ' GLU . . . -68.77 -36.82 83.28 Favored Glycine 0 C--N 1.342 0.874 0 CA-C-N 116.187 -0.46 . . . . 0.0 113.847 -179.512 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -75.26 -39.59 59.66 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 122.468 0.307 . . . . 0.0 111.665 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.663 ' O ' HG12 ' A' ' 21' ' ' ILE . 66.6 mttm -71.24 -37.94 71.97 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.18 179.574 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 99.5 m -72.51 -33.11 66.68 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.665 178.799 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.563 ' O ' HG22 ' A' ' 23' ' ' VAL . 9.0 tt0 -69.93 -33.88 72.73 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.717 178.59 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.15 -39.97 68.37 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.475 178.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.663 HG12 ' O ' ' A' ' 17' ' ' LYS . 33.5 mm -71.94 -27.37 27.29 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.98 178.563 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.35 -44.38 42.71 Favored Glycine 0 C--N 1.346 1.087 0 CA-C-N 116.09 -0.504 . . . . 0.0 112.576 178.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.563 HG22 ' O ' ' A' ' 19' ' ' GLU . 3.0 m -71.16 -34.02 53.19 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 CA-C-O 120.652 0.263 . . . . 0.0 111.295 179.22 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.417 ' O ' ' HB2' ' A' ' 28' ' ' LEU . 96.8 mttt -72.62 -33.51 66.7 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.86 178.816 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.451 ' HB2' ' O ' ' A' ' 21' ' ' ILE . 4.5 tp -70.11 -39.96 75.17 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 123.01 0.524 . . . . 0.0 111.084 179.162 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.9 mt -69.32 -41.01 77.27 Favored 'General case' 0 N--CA 1.473 0.699 0 O-C-N 123.396 0.435 . . . . 0.0 111.334 179.351 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 32.2 m80 -70.91 -31.48 68.12 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.213 178.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.519 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 4.6 tp -74.83 -31.75 61.75 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.968 179.152 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -72.4 -40.74 66.97 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.943 179.16 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -69.7 -38.25 76.89 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.378 178.673 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -74.2 -24.38 59.34 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.215 178.713 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.534 ' O ' ' HB2' ' A' ' 36' ' ' MET . 2.4 tt -75.64 -39.67 57.42 Favored 'General case' 0 N--CA 1.471 0.599 0 O-C-N 123.49 0.494 . . . . 0.0 110.663 179.214 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.456 ' O ' ' HD1' ' A' ' 37' ' ' TYR . 5.6 tp -70.36 -40.75 73.87 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.39 178.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -70.27 -33.44 68.8 Favored Glycine 0 C--N 1.342 0.904 0 CA-C-N 115.616 -0.72 . . . . 0.0 112.663 179.112 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -81.3 -23.3 37.97 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 122.607 0.363 . . . . 0.0 111.725 179.274 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.534 ' HB2' ' O ' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -80.01 -34.89 38.05 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.759 179.853 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.456 ' HD1' ' O ' ' A' ' 33' ' ' LEU . 20.6 m-85 -79.51 -36.81 37.97 Favored 'General case' 0 N--CA 1.471 0.618 0 O-C-N 123.489 0.493 . . . . 0.0 112.055 179.722 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 80.4 p -86.49 -26.24 24.71 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 112.066 0.395 . . . . 0.0 112.066 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 71.3 m-70 63.79 111.64 0.03 OUTLIER 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 123.898 0.879 . . . . 0.0 111.789 -179.645 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -140.3 165.01 28.55 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.863 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -102.57 -40.71 6.53 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.553 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.78 -35.04 79.16 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 112.837 0.68 . . . . 0.0 112.837 -179.644 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.439 ' O ' ' HB2' ' A' ' 47' ' ' LEU . 4.0 mt -69.95 -28.43 65.56 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 112.371 0.508 . . . . 0.0 112.371 -179.607 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -73.78 -34.76 64.81 Favored 'General case' 0 N--CA 1.472 0.646 0 O-C-N 123.256 0.348 . . . . 0.0 111.421 179.165 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -72.54 -41.72 65.5 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.541 179.075 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 16.9 t -69.13 -32.27 71.53 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.744 178.414 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.439 ' HB2' ' O ' ' A' ' 43' ' ' LEU . 5.1 tp -70.65 -37.01 73.68 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.099 179.019 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 11.9 mm100 -71.17 -38.09 72.17 Favored 'General case' 0 N--CA 1.473 0.68 0 O-C-N 123.67 0.606 . . . . 0.0 111.354 179.376 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -71.53 -36.03 62.7 Favored Glycine 0 C--N 1.345 1.034 0 CA-C-N 115.936 -0.575 . . . . 0.0 112.718 179.044 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.592 ' O ' HG23 ' A' ' 54' ' ' VAL . 42.4 mt-10 -72.43 -35.86 68.44 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 122.734 0.414 . . . . 0.0 111.063 179.216 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.9 tt -70.4 -37.22 74.45 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.616 179.126 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -72.59 -31.28 65.08 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.119 179.032 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 17.5 p -75.03 -33.78 61.81 Favored 'General case' 0 N--CA 1.471 0.597 0 O-C-N 123.47 0.481 . . . . 0.0 111.51 179.047 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.592 HG23 ' O ' ' A' ' 50' ' ' GLU . 84.2 t -74.49 -35.01 37.38 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 O-C-N 123.333 0.396 . . . . 0.0 110.318 179.059 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 83.0 mttt -72.69 -37.21 67.94 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.282 178.802 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -72.89 -33.29 65.94 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.265 179.156 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 12.9 p -74.71 -33.95 62.49 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.094 178.789 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.8 tt -70.61 -39.39 73.79 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.413 179.027 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.506 ' O ' HG13 ' A' ' 62' ' ' ILE . 46.7 mt-30 -69.53 -38.2 77.42 Favored 'General case' 0 C--N 1.348 0.541 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.675 178.635 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.83 -28.56 65.8 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.245 178.798 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.52 ' O ' ' HB2' ' A' ' 65' ' ' LEU . 74.1 mtp -73.18 -43.11 61.93 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.281 178.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.506 HG13 ' O ' ' A' ' 59' ' ' GLN . 0.8 OUTLIER -74.1 -26.53 21.03 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 CA-C-N 116.131 -0.486 . . . . 0.0 112.006 179.805 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 22.8 mt -84.7 -28.83 26.07 Favored 'General case' 0 N--CA 1.468 0.459 0 O-C-N 123.355 0.409 . . . . 0.0 111.44 179.053 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -92.43 -14.2 28.92 Favored 'General case' 0 CA--C 1.536 0.431 0 O-C-N 123.378 0.424 . . . . 0.0 111.466 179.488 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.52 ' HB2' ' O ' ' A' ' 61' ' ' MET . 1.9 tt -66.26 -39.73 89.65 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 122.683 0.393 . . . . 0.0 111.645 179.751 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 53.2 mt-30 -106.82 104.57 52.04 Favored Pre-proline 0 CA--C 1.543 0.678 0 O-C-N 123.466 0.479 . . . . 0.0 110.493 179.614 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_exo -67.24 -39.2 13.61 Favored 'Trans proline' 0 C--N 1.374 1.912 0 C-N-CA 122.567 2.178 . . . . 0.0 113.467 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 17.8 p -141.43 151.54 43.51 Favored 'General case' 0 N--CA 1.466 0.366 0 O-C-N 123.265 0.353 . . . . 0.0 111.312 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.62 ' HZ1' ' HD2' ' A' ' 130' ' ' LYS . 96.9 mttt -130.76 130.52 43.85 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.685 179.703 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -105.29 129.66 53.59 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.017 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . 69.64 -54.31 0.6 Allowed 'General case' 0 N--CA 1.485 1.321 0 C-N-CA 124.454 1.102 . . . . 0.0 112.623 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 98.93 147.01 21.4 Favored Glycine 0 C--N 1.34 0.786 0 C-N-CA 121.46 -0.4 . . . . 0.0 112.498 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -112.44 137.39 50.7 Favored 'General case' 0 C--O 1.236 0.354 0 O-C-N 123.622 0.248 . . . . 0.0 110.959 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -126.45 146.89 49.91 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.027 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 40.5 p -100.39 130.04 46.44 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.029 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -126.73 146.04 50.37 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.108 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 51.8 m -128.12 139.11 52.68 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.995 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 82.3 m-85 -99.85 -44.4 0.22 Allowed Pre-proline 0 CA--C 1.544 0.715 0 CA-C-O 118.636 -0.697 . . . . 0.0 112.279 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo -76.7 152.54 33.15 Favored 'Trans proline' 0 C--N 1.38 2.23 0 C-N-CA 122.362 2.041 . . . . 0.0 112.78 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 18.7 p -138.0 124.7 20.99 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.033 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -126.01 141.74 51.83 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.101 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -130.68 54.53 0.79 Allowed Glycine 0 C--N 1.339 0.702 0 CA-C-N 115.864 -0.607 . . . . 0.0 112.587 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -127.74 138.23 52.7 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 120.649 0.261 . . . . 0.0 111.015 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 -128.92 129.0 44.92 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.767 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -130.61 141.45 50.44 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.837 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 18.5 p -137.62 137.74 38.79 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.044 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -112.17 136.61 51.35 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.871 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . 61.16 118.34 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 123.928 0.891 . . . . 0.0 112.33 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 5.8 mp -132.21 -43.61 0.95 Allowed 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.192 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 3.3 m -139.45 105.52 7.09 Favored Pre-proline 0 CA--C 1.546 0.819 0 O-C-N 123.439 0.462 . . . . 0.0 111.233 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_exo -63.74 137.04 56.64 Favored 'Trans proline' 0 C--N 1.374 1.919 0 C-N-CA 122.675 2.25 . . . . 0.0 112.931 179.556 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -116.07 147.3 41.42 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.905 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 153.96 -152.94 24.47 Favored Glycine 0 C--N 1.336 0.563 0 CA-C-N 115.828 -0.624 . . . . 0.0 112.595 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 16.1 t -106.02 131.06 53.76 Favored 'General case' 0 C--O 1.235 0.315 0 C-N-CA 122.353 0.261 . . . . 0.0 110.735 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 145.21 137.62 3.16 Favored Glycine 0 C--N 1.338 0.655 0 CA-C-N 115.916 -0.583 . . . . 0.0 112.552 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 -99.89 131.21 46.0 Favored 'General case' 0 C--O 1.234 0.255 0 C-N-CA 122.378 0.271 . . . . 0.0 110.862 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 122.41 97.52 1.4 Allowed Glycine 0 C--N 1.338 0.64 0 CA-C-N 115.849 -0.614 . . . . 0.0 112.403 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -101.06 145.51 28.64 Favored 'General case' 0 N--CA 1.464 0.273 0 O-C-N 123.619 0.246 . . . . 0.0 110.808 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 44.1 m-80 -113.58 124.26 51.92 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.825 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -134.91 -38.58 0.79 Allowed 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.993 179.733 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -76.76 -29.67 56.21 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 116.015 -0.538 . . . . 0.0 111.51 179.41 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 19.4 mt -84.34 -26.39 28.5 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.856 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -70.31 -35.86 73.93 Favored 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 112.131 0.419 . . . . 0.0 112.131 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -64.51 -43.13 95.07 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 122.658 0.383 . . . . 0.0 111.762 179.765 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -75.91 -33.62 59.9 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.523 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -71.67 -37.95 70.7 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.589 179.341 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -75.82 -34.42 60.13 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.707 179.431 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 71.2 m -71.2 -40.37 71.22 Favored 'General case' 0 N--CA 1.471 0.615 0 O-C-N 123.211 0.32 . . . . 0.0 111.305 179.302 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 22.3 mt -73.73 -35.33 65.05 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.333 179.361 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -70.99 -33.91 70.86 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.423 179.295 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 62.5 mttm -76.1 -32.94 59.46 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.849 178.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.519 ' O ' ' HB2' ' A' ' 116' ' ' LEU . 42.0 mt-10 -73.87 -32.38 63.6 Favored 'General case' 0 N--CA 1.471 0.586 0 O-C-N 123.579 0.55 . . . . 0.0 111.739 178.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 34.3 mt -80.07 -33.2 14.27 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 O-C-N 123.368 0.418 . . . . 0.0 110.243 178.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -70.66 -36.15 73.22 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-O 120.84 0.352 . . . . 0.0 110.088 177.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 11.9 t80 -74.22 -35.45 63.89 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 115.338 -0.846 . . . . 0.0 109.728 178.261 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.519 ' HB2' ' O ' ' A' ' 112' ' ' GLU . 1.7 tt -67.48 -36.22 80.69 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.82 178.691 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -72.1 -39.64 68.77 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.007 179.232 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' ASP . . . . . 0.529 ' O ' ' HB2' ' A' ' 122' ' ' GLU . 9.1 m-20 -69.38 -29.38 67.14 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.355 178.274 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.567 ' O ' HG22 ' A' ' 123' ' ' VAL . 18.6 mt -73.12 -42.81 62.51 Favored 'General case' 0 N--CA 1.47 0.534 0 O-C-N 123.399 0.437 . . . . 0.0 111.3 179.425 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 2.2 pp -70.71 -36.4 64.87 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 O-C-N 123.374 0.421 . . . . 0.0 111.196 179.264 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -73.13 -29.4 62.86 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.375 179.111 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' GLU . . . . . 0.529 ' HB2' ' O ' ' A' ' 118' ' ' ASP . 10.4 tt0 -76.08 -36.81 58.81 Favored 'General case' 0 C--N 1.347 0.475 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.418 179.833 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.567 HG22 ' O ' ' A' ' 119' ' ' LEU . 3.9 m -75.27 -33.47 28.3 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 O-C-N 123.275 0.359 . . . . 0.0 110.942 178.659 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 74.3 mtp180 -70.95 -39.64 72.47 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.158 178.659 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -74.33 -39.21 62.98 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.83 179.464 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -75.47 -40.46 57.37 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 116.028 -0.533 . . . . 0.0 112.29 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 71.55 -48.56 0.68 Allowed 'General case' 0 N--CA 1.488 1.447 0 C-N-CA 124.427 1.091 . . . . 0.0 112.385 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -161.06 42.27 0.41 Allowed Glycine 0 C--N 1.34 0.794 0 C-N-CA 121.42 -0.419 . . . . 0.0 112.98 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -136.48 129.07 30.51 Favored 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 122.316 0.246 . . . . 0.0 110.695 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 130' ' ' LYS . . . . . 0.62 ' HD2' ' HZ1' ' A' ' 69' ' ' LYS . 94.5 mttt -103.61 148.09 26.43 Favored 'General case' 0 C--O 1.235 0.308 0 O-C-N 123.647 0.592 . . . . 0.0 111.05 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? -126.51 -46.42 1.6 Allowed 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.193 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 132' ' ' VAL . . . . . 0.621 ' H ' ' HD3' ' A' ' 133' ' ' PRO . 4.0 m -112.63 -32.02 0.12 Allowed Pre-proline 0 CA--C 1.553 1.095 0 N-CA-C 113.505 0.928 . . . . 0.0 113.505 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 133' ' ' PRO . . . . . 0.621 ' HD3' ' H ' ' A' ' 132' ' ' VAL . 2.8 Cg_exo . . . . . 0 C--N 1.383 2.382 0 C-N-CA 122.037 1.825 . . . . 0.0 112.856 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.207 0 CA-C-O 119.28 -0.733 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo -75.5 152.72 38.81 Favored 'Trans proline' 0 C--N 1.37 1.659 0 C-N-CA 122.978 2.452 . . . . 0.0 112.757 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 93.7 m95 -100.86 149.26 24.05 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.995 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 60.3 mttp 61.86 117.45 0.02 OUTLIER 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 123.904 0.882 . . . . 0.0 112.078 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -134.02 131.43 38.88 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.751 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -107.7 111.18 23.25 Favored 'General case' 0 C--O 1.238 0.457 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.864 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 52.4 m -134.73 -45.41 0.74 Allowed 'General case' 0 C--O 1.235 0.32 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.795 179.736 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -127.0 95.48 4.32 Favored 'General case' 0 C--O 1.239 0.515 0 CA-C-O 121.195 0.522 . . . . 0.0 109.963 179.406 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.1 pp -143.74 -2.31 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.531 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.873 -179.721 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 6.1 m -88.79 -10.53 10.63 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.697 0 CA-C-N 116.287 -0.415 . . . . 0.0 112.089 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 52.9 m -100.72 -26.14 13.89 Favored 'General case' 0 N--CA 1.466 0.353 0 O-C-N 123.418 0.449 . . . . 0.0 111.666 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -91.55 -23.24 19.98 Favored 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 112.211 0.448 . . . . 0.0 112.211 -179.604 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -86.2 -22.26 27.04 Favored 'General case' 0 N--CA 1.47 0.542 0 O-C-N 123.247 0.342 . . . . 0.0 111.888 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.8 m -77.17 -38.96 28.21 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 N-CA-C 112.416 0.524 . . . . 0.0 112.416 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -58.56 -35.31 79.84 Favored Glycine 0 C--N 1.342 0.907 0 CA-C-N 116.112 -0.495 . . . . 0.0 113.873 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -76.8 -31.91 57.28 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 122.471 0.308 . . . . 0.0 111.301 179.561 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -76.01 -34.13 59.7 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.023 179.207 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.508 ' O ' HG22 ' A' ' 21' ' ' ILE . 74.8 m -74.31 -38.41 63.34 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.754 178.796 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.59 ' O ' HG22 ' A' ' 23' ' ' VAL . 40.6 mt-10 -70.25 -36.1 74.25 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.233 178.732 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -73.83 -35.35 64.83 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.539 179.392 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.508 HG22 ' O ' ' A' ' 18' ' ' CYS . 1.1 tp -73.93 -28.21 23.64 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.831 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.402 178.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -73.82 -44.55 30.87 Favored Glycine 0 C--N 1.348 1.226 0 CA-C-N 115.664 -0.698 . . . . 0.0 112.511 178.78 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.59 HG22 ' O ' ' A' ' 19' ' ' GLU . 3.3 m -71.1 -33.28 50.72 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 CA-C-O 120.576 0.227 . . . . 0.0 111.105 179.085 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.47 ' O ' ' HB2' ' A' ' 28' ' ' LEU . 55.4 mttt -72.35 -34.7 68.2 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.075 178.626 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.475 ' HB2' ' O ' ' A' ' 21' ' ' ILE . 2.2 tt -70.05 -39.79 75.51 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.271 179.301 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.2 mt -70.07 -41.27 74.34 Favored 'General case' 0 N--CA 1.473 0.717 0 O-C-N 123.347 0.404 . . . . 0.0 111.614 179.615 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 21.4 m80 -71.13 -31.41 67.69 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.28 179.17 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.47 ' HB2' ' O ' ' A' ' 24' ' ' LYS . 1.8 tt -74.92 -32.29 61.76 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.89 179.232 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.406 ' HG3' ' O ' ' A' ' 25' ' ' LEU . 43.6 mt-10 -72.42 -39.83 67.6 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.936 178.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -69.72 -38.59 76.97 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.563 178.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 54.4 mt-30 -74.14 -25.81 59.96 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.181 178.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.43 ' HB2' ' O ' ' A' ' 28' ' ' LEU . 5.1 tt -74.68 -39.4 62.01 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.704 179.201 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.411 ' O ' ' HD2' ' A' ' 37' ' ' TYR . 4.8 tp -71.13 -39.64 71.9 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.567 179.03 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -72.26 -31.18 63.99 Favored Glycine 0 C--N 1.343 0.967 0 CA-C-N 115.695 -0.684 . . . . 0.0 113.152 179.073 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -81.18 -29.11 34.72 Favored 'General case' 0 N--CA 1.469 0.521 0 N-CA-C 112.337 0.495 . . . . 0.0 112.337 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 43.9 mtt -82.65 -34.75 27.38 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 112.371 0.508 . . . . 0.0 112.371 -179.694 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.411 ' HD2' ' O ' ' A' ' 33' ' ' LEU . 26.6 m-85 -81.21 -40.52 23.71 Favored 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 111.973 0.36 . . . . 0.0 111.973 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 14.4 t -86.76 -25.59 24.59 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.722 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 66.5 m80 62.5 110.34 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 123.775 0.83 . . . . 0.0 111.83 -179.753 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -142.29 160.28 40.57 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.955 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -95.82 -38.59 10.24 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.554 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.7 -37.87 85.61 Favored 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 112.465 0.542 . . . . 0.0 112.465 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.481 ' O ' ' HB2' ' A' ' 47' ' ' LEU . 8.5 mt -71.6 -28.3 63.71 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 116.034 -0.53 . . . . 0.0 112.228 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 12.5 t80 -70.22 -39.94 74.83 Favored 'General case' 0 N--CA 1.473 0.703 0 O-C-N 123.358 0.411 . . . . 0.0 110.931 179.401 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 54.8 mt-30 -71.51 -39.92 70.47 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.486 179.027 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 52.9 m -69.05 -33.7 74.01 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.992 178.524 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.481 ' HB2' ' O ' ' A' ' 43' ' ' LEU . 2.4 tt -70.79 -35.93 72.8 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.205 179.273 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -70.65 -41.2 72.44 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.385 179.366 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -71.42 -38.05 62.41 Favored Glycine 0 C--N 1.344 0.998 0 CA-C-N 115.931 -0.577 . . . . 0.0 112.566 179.186 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.612 ' O ' HG23 ' A' ' 54' ' ' VAL . 40.1 mt-10 -71.43 -35.85 71.08 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 122.681 0.392 . . . . 0.0 111.114 179.178 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.414 ' HB2' ' O ' ' A' ' 47' ' ' LEU . 2.6 tt -70.19 -35.77 74.16 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.719 179.159 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 -72.23 -33.67 67.73 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.977 179.13 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 19.1 p -73.83 -33.99 64.37 Favored 'General case' 0 N--CA 1.472 0.635 0 O-C-N 123.423 0.452 . . . . 0.0 111.648 179.055 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.612 HG23 ' O ' ' A' ' 50' ' ' GLU . 87.8 t -73.78 -34.78 41.58 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.866 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.289 179.005 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 75.2 mttt -73.68 -35.11 65.14 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.291 178.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -72.98 -33.97 66.16 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.251 178.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 17.4 p -73.38 -37.35 66.04 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.206 178.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.0 tp -71.14 -37.24 72.28 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.795 179.2 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.433 ' O ' HG13 ' A' ' 62' ' ' ILE . 53.2 mt-30 -69.62 -37.09 76.7 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.865 178.62 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.462 ' O ' ' HB2' ' A' ' 64' ' ' GLN . . . -69.89 -31.49 69.32 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.113 178.682 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 15.8 ttt -70.7 -44.29 67.23 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.954 179.06 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.463 ' O ' ' HB2' ' A' ' 66' ' ' GLN . 1.6 pt -75.53 -22.69 16.45 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 O-C-N 123.424 0.453 . . . . 0.0 111.87 179.426 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.8 tp -86.49 -24.76 25.46 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.064 179.324 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.462 ' HB2' ' O ' ' A' ' 60' ' ' ALA . 5.5 tt0 -87.36 -31.09 20.32 Favored 'General case' 0 N--CA 1.468 0.466 0 O-C-N 123.435 0.46 . . . . 0.0 111.391 179.608 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 17.5 mt -84.93 -37.5 20.47 Favored 'General case' 0 N--CA 1.47 0.537 0 O-C-N 123.315 0.384 . . . . 0.0 111.607 179.799 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.463 ' HB2' ' O ' ' A' ' 62' ' ' ILE . 46.6 mt-30 -97.12 109.43 49.39 Favored Pre-proline 0 CA--C 1.542 0.673 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.745 179.788 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 22.3 Cg_exo -65.81 -38.83 22.16 Favored 'Trans proline' 0 C--N 1.375 1.934 0 C-N-CA 122.526 2.151 . . . . 0.0 113.393 179.787 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 18.2 p -141.46 135.88 30.73 Favored 'General case' 0 N--CA 1.467 0.386 0 O-C-N 123.273 0.358 . . . . 0.0 111.25 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 66.5 mttm 61.96 123.82 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 124.045 0.938 . . . . 0.0 112.245 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -116.01 -44.7 2.9 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.034 179.835 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -129.66 146.77 51.42 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.086 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -178.51 -83.67 0.06 OUTLIER Glycine 0 C--N 1.337 0.619 0 O-C-N 123.634 0.584 . . . . 0.0 112.521 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 63.06 124.82 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 124.024 0.93 . . . . 0.0 111.952 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -104.05 149.76 24.9 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.107 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 51.7 m -99.3 144.75 28.06 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.008 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -125.68 -41.37 2.0 Allowed 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.509 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 52.6 m -99.01 148.77 23.67 Favored 'General case' 0 C--O 1.234 0.26 0 O-C-N 123.428 0.455 . . . . 0.0 111.068 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 29.8 p90 42.05 96.4 0.04 OUTLIER Pre-proline 0 N--CA 1.489 1.519 0 C-N-CA 124.603 1.161 . . . . 0.0 113.358 -179.691 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_exo -69.16 148.87 69.89 Favored 'Trans proline' 0 C--N 1.376 1.978 0 C-N-CA 122.631 2.221 . . . . 0.0 112.83 179.459 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 6.3 t -98.9 122.08 41.68 Favored 'General case' 0 N--CA 1.467 0.42 0 O-C-N 123.686 0.616 . . . . 0.0 111.13 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -128.91 -42.74 1.38 Allowed 'General case' 0 C--O 1.234 0.283 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.346 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -173.25 117.52 0.65 Allowed Glycine 0 C--N 1.341 0.828 0 O-C-N 123.432 0.457 . . . . 0.0 112.405 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -120.6 -41.9 2.56 Favored 'General case' 0 C--O 1.235 0.314 0 O-C-N 123.585 0.226 . . . . 0.0 111.495 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 12.0 mm100 -99.69 131.6 45.58 Favored 'General case' 0 C--O 1.235 0.294 0 O-C-N 123.43 0.456 . . . . 0.0 110.866 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -128.84 137.24 51.38 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.859 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 5.9 t -137.39 120.08 16.19 Favored 'General case' 0 CA--C 1.535 0.371 0 O-C-N 123.601 0.563 . . . . 0.0 110.972 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -131.77 -43.16 1.0 Allowed 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.185 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -105.89 142.8 34.99 Favored 'General case' 0 C--O 1.234 0.277 0 O-C-N 123.349 0.406 . . . . 0.0 111.098 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 5.7 mp 62.91 125.72 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 123.879 0.872 . . . . 0.0 112.023 -179.704 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 3.9 m -124.81 158.71 61.59 Favored Pre-proline 0 CA--C 1.545 0.774 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.157 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 7.3 Cg_exo -74.01 131.82 16.04 Favored 'Trans proline' 0 C--N 1.377 2.028 0 C-N-CA 122.555 2.17 . . . . 0.0 112.769 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -131.28 -42.81 1.06 Allowed 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.177 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 105.51 76.07 1.03 Allowed Glycine 0 C--N 1.34 0.766 0 O-C-N 123.452 0.47 . . . . 0.0 112.405 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 16.1 t -127.11 131.06 50.9 Favored 'General case' 0 C--O 1.235 0.321 0 C-N-CA 122.294 0.238 . . . . 0.0 110.659 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 147.75 -151.39 23.64 Favored Glycine 0 C--N 1.338 0.639 0 CA-C-N 115.894 -0.593 . . . . 0.0 112.497 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -129.12 -42.76 1.35 Allowed 'General case' 0 N--CA 1.467 0.395 0 O-C-N 123.666 0.274 . . . . 0.0 111.118 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 100.48 80.73 1.54 Allowed Glycine 0 C--N 1.341 0.831 0 O-C-N 123.359 0.412 . . . . 0.0 112.441 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.494 ' O ' HD12 ' A' ' 102' ' ' LEU . 97.3 mttt -129.24 -41.86 1.38 Allowed 'General case' 0 N--CA 1.467 0.376 0 O-C-N 123.617 0.246 . . . . 0.0 111.256 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -118.57 -26.47 6.16 Favored 'General case' 0 N--CA 1.466 0.373 0 O-C-N 123.371 0.419 . . . . 0.0 111.546 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -88.91 -25.16 22.26 Favored 'General case' 0 N--CA 1.47 0.563 0 O-C-N 123.404 0.44 . . . . 0.0 111.958 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -77.07 -30.56 55.57 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 112.37 0.507 . . . . 0.0 112.37 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.494 HD12 ' O ' ' A' ' 98' ' ' LYS . 12.8 mt -86.24 -29.49 23.1 Favored 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 112.01 0.374 . . . . 0.0 112.01 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -75.16 -38.19 61.01 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 112.002 0.371 . . . . 0.0 112.002 -179.742 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -64.72 -41.17 96.18 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 122.811 0.444 . . . . 0.0 111.703 179.505 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 23.7 tptt -75.8 -36.77 59.62 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.218 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -71.03 -35.9 72.17 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.532 179.375 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' ASP . . . . . 0.501 ' OD2' ' HE3' ' A' ' 111' ' ' LYS . 2.2 t70 -75.8 -34.84 60.19 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.424 179.582 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 47.6 p -68.93 -44.18 73.59 Favored 'General case' 0 N--CA 1.471 0.622 0 O-C-N 123.29 0.369 . . . . 0.0 111.484 179.449 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 3.2 mp -73.55 -32.42 64.18 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.387 179.353 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.434 ' O ' ' HG3' ' A' ' 114' ' ' GLN . . . -68.03 -36.44 79.92 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 123.224 0.328 . . . . 0.0 110.94 178.606 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.501 ' HE3' ' OD2' ' A' ' 107' ' ' ASP . 95.4 mttt -72.88 -35.18 67.11 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.491 178.474 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -67.93 -33.63 75.05 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.285 178.786 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 21.6 mt -77.14 -33.08 19.82 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 O-C-N 123.482 0.489 . . . . 0.0 109.747 178.534 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' GLN . . . . . 0.434 ' HG3' ' O ' ' A' ' 110' ' ' ALA . 53.6 mt-30 -65.26 -36.82 85.3 Favored 'General case' 0 N--CA 1.474 0.73 0 O-C-N 123.357 0.411 . . . . 0.0 110.425 178.141 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' TYR . . . . . 0.484 ' HD1' ' O ' ' A' ' 111' ' ' LYS . 17.8 m-85 -75.01 -35.61 61.97 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.004 177.768 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 2.0 tt -66.2 -38.86 89.02 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.86 178.67 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.508 ' O ' HG13 ' A' ' 120' ' ' ILE . 95.2 mttt -72.75 -37.54 67.65 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.804 179.165 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -69.19 -32.02 71.03 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.983 178.507 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.583 ' O ' HG22 ' A' ' 123' ' ' VAL . 14.1 mt -71.77 -43.22 66.11 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.327 179.722 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 120' ' ' ILE . . . . . 0.508 HG13 ' O ' ' A' ' 117' ' ' LYS . 0.8 OUTLIER -69.81 -33.25 55.19 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.296 178.92 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -72.93 -32.11 65.06 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.427 178.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -73.28 -38.24 65.97 Favored 'General case' 0 N--CA 1.47 0.558 0 O-C-N 123.441 0.463 . . . . 0.0 111.685 179.548 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.583 HG22 ' O ' ' A' ' 119' ' ' LEU . 2.7 m -74.01 -33.98 37.68 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 O-C-N 123.315 0.385 . . . . 0.0 111.069 178.666 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -70.56 -36.37 73.6 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.203 178.642 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -74.14 -36.55 64.14 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.287 179.04 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -75.38 -26.11 58.22 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.987 179.528 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 18.7 mtp180 -79.03 131.9 36.44 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 122.824 0.45 . . . . 0.0 111.472 179.77 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 155.89 -126.34 1.81 Allowed Glycine 0 C--N 1.338 0.665 0 CA-C-N 115.733 -0.667 . . . . 0.0 112.496 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -129.05 137.21 51.16 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 122.304 0.242 . . . . 0.0 110.896 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -125.44 145.89 49.87 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.868 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -99.45 -42.55 6.9 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.236 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 3.9 m -130.98 158.81 74.05 Favored Pre-proline 0 CA--C 1.546 0.81 0 CA-C-O 119.225 -0.417 . . . . 0.0 111.224 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 6.5 Cg_exo . . . . . 0 C--N 1.375 1.967 0 C-N-CA 122.526 2.15 . . . . 0.0 112.713 179.858 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.226 0 CA-C-O 119.068 -0.851 . . . . 0.0 112.63 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -75.35 -35.76 2.72 Favored 'Trans proline' 0 C--N 1.372 1.81 0 C-N-CA 122.849 2.366 . . . . 0.0 113.028 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 92.2 m95 -102.03 144.83 30.13 Favored 'General case' 0 C--O 1.236 0.354 0 O-C-N 123.493 0.496 . . . . 0.0 110.871 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -125.9 -42.12 1.92 Allowed 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.144 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 70.97 -48.33 0.67 Allowed 'General case' 0 N--CA 1.487 1.425 0 C-N-CA 124.561 1.144 . . . . 0.0 112.586 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -103.49 118.89 37.77 Favored 'General case' 0 C--O 1.236 0.347 0 O-C-N 123.334 0.397 . . . . 0.0 110.937 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 44.8 p -130.99 -46.68 1.02 Allowed 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.745 179.635 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 68.4 m-70 -131.0 94.27 3.56 Favored 'General case' 0 C--O 1.238 0.483 0 CA-C-O 121.238 0.542 . . . . 0.0 110.209 179.325 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.1 pp -143.95 1.5 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 CA-C-N 115.498 -0.774 . . . . 0.0 111.866 -179.547 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 5.4 m -87.68 -28.44 5.57 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.453 ' O ' ' HE3' ' A' ' 129' ' ' LYS . 50.2 m -94.03 -14.4 25.87 Favored 'General case' 0 N--CA 1.466 0.372 0 O-C-N 123.425 0.453 . . . . 0.0 111.867 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -94.86 -22.14 18.22 Favored 'General case' 0 N--CA 1.467 0.421 0 N-CA-C 112.117 0.414 . . . . 0.0 112.117 -179.709 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -87.03 -22.03 25.73 Favored 'General case' 0 N--CA 1.472 0.667 0 O-C-N 123.331 0.394 . . . . 0.0 111.961 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.7 m -71.09 -39.1 73.85 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 N-CA-C 112.589 0.589 . . . . 0.0 112.589 -179.707 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -60.53 -40.13 97.36 Favored Glycine 0 C--N 1.343 0.946 0 O-C-N 123.484 0.49 . . . . 0.0 113.823 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -75.02 -35.05 61.98 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 122.485 0.314 . . . . 0.0 111.468 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 60.2 mttp -73.89 -34.13 64.3 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.014 179.162 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.404 ' O ' HG22 ' A' ' 21' ' ' ILE . 94.0 m -72.79 -37.95 67.4 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.877 178.878 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.566 ' O ' HG22 ' A' ' 23' ' ' VAL . 41.3 mt-10 -70.18 -36.66 74.81 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.374 179.034 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.34 -38.38 68.62 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.6 179.555 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.404 HG22 ' O ' ' A' ' 18' ' ' CYS . 2.2 tp -72.81 -27.82 25.92 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.815 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.459 178.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -73.05 -42.55 43.81 Favored Glycine 0 C--N 1.348 1.245 0 CA-C-N 115.695 -0.684 . . . . 0.0 112.332 178.829 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.566 HG22 ' O ' ' A' ' 19' ' ' GLU . 2.8 m -71.18 -34.14 53.47 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 CA-C-O 120.698 0.285 . . . . 0.0 111.18 178.895 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -71.48 -35.02 70.67 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.909 178.645 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.7 tt -69.95 -39.23 76.18 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.097 179.072 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 13.5 mt -69.03 -39.98 78.91 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.429 179.406 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 28.6 m80 -70.69 -31.69 68.66 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.02 178.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.444 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 0.6 OUTLIER -74.86 -30.48 61.35 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.064 178.907 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -73.11 -41.09 64.4 Favored 'General case' 0 N--CA 1.471 0.575 0 O-C-N 123.541 0.526 . . . . 0.0 110.694 179.15 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -69.9 -37.12 75.9 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.082 178.857 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 53.9 mt-30 -74.32 -28.64 61.25 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.244 179.043 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.444 ' HB2' ' O ' ' A' ' 28' ' ' LEU . 3.6 tt -72.89 -40.31 65.66 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.906 179.271 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.457 ' O ' ' HD2' ' A' ' 37' ' ' TYR . 4.8 tp -71.16 -39.12 72.11 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.52 178.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -71.96 -28.27 68.95 Favored Glycine 0 C--N 1.343 0.971 0 CA-C-N 115.744 -0.662 . . . . 0.0 112.794 179.025 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -80.99 -30.52 35.02 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 122.709 0.404 . . . . 0.0 111.826 179.199 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 39.6 mtt -78.83 -34.89 44.82 Favored 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 112.117 0.414 . . . . 0.0 112.117 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.457 ' HD2' ' O ' ' A' ' 33' ' ' LEU . 26.4 m-85 -81.08 -35.34 31.85 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 112.003 0.371 . . . . 0.0 112.003 179.802 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 14.4 t -86.55 -27.76 23.76 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.657 179.782 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 74.3 m-70 62.86 110.72 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 123.954 0.902 . . . . 0.0 112.01 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -142.46 162.72 34.74 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.588 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -95.71 -41.35 8.92 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.762 -179.691 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.88 -29.0 68.79 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 112.797 0.666 . . . . 0.0 112.797 -179.662 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -67.29 -28.95 68.43 Favored 'General case' 0 N--CA 1.472 0.651 0 N-CA-C 112.506 0.558 . . . . 0.0 112.506 -179.471 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 27.8 m-85 -68.69 -37.47 79.58 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 122.26 0.224 . . . . 0.0 111.527 179.55 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -72.82 -40.05 66.13 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.378 178.772 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 52.5 m -69.23 -38.73 78.66 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.475 178.677 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.421 ' O ' ' HB2' ' A' ' 51' ' ' LEU . 17.3 mt -70.79 -34.1 71.42 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 116.015 -0.539 . . . . 0.0 112.108 179.515 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -72.96 -40.37 65.41 Favored 'General case' 0 N--CA 1.472 0.669 0 O-C-N 123.314 0.384 . . . . 0.0 111.734 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -71.6 -38.06 61.71 Favored Glycine 0 C--N 1.342 0.891 0 CA-C-N 116.169 -0.469 . . . . 0.0 112.889 179.375 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -73.3 -35.5 66.12 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 122.872 0.469 . . . . 0.0 111.488 179.739 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.421 ' HB2' ' O ' ' A' ' 47' ' ' LEU . 4.0 tp -72.86 -36.05 67.33 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.455 179.563 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -74.19 -33.79 63.54 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.175 179.27 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 17.8 p -74.99 -33.99 61.92 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.475 179.036 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.408 HG12 ' HA ' ' A' ' 51' ' ' LEU . 8.3 p -75.0 -34.04 31.13 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.811 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.718 179.358 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 63.6 mttm -73.7 -36.44 65.25 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.063 178.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -73.19 -33.35 65.36 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.223 178.804 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 10.7 p -74.03 -35.54 64.35 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.336 178.815 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.596 ' O ' HG12 ' A' ' 62' ' ' ILE . 5.8 tp -71.68 -39.27 70.35 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.661 179.185 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.485 ' O ' ' HB2' ' A' ' 63' ' ' LEU . 47.3 mt-30 -69.6 -37.2 76.8 Favored 'General case' 0 C--N 1.348 0.519 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.791 178.816 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.523 ' O ' ' HG2' ' A' ' 64' ' ' GLN . . . -68.45 -32.99 73.4 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.911 178.794 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 82.1 mtp -68.4 -46.42 70.02 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.262 178.848 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.596 HG12 ' O ' ' A' ' 58' ' ' LEU . 11.8 mm -75.38 -18.16 15.9 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.88 179.553 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.485 ' HB2' ' O ' ' A' ' 59' ' ' GLN . 2.4 tt -82.4 -33.75 28.58 Favored 'General case' 0 N--CA 1.469 0.506 0 O-C-N 123.231 0.332 . . . . 0.0 111.53 179.495 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.523 ' HG2' ' O ' ' A' ' 60' ' ' ALA . 11.3 pt20 -87.74 -29.25 21.21 Favored 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.507 ' HB3' ' NH1' ' A' ' 127' ' ' ARG . 21.4 mt -81.71 -30.85 32.38 Favored 'General case' 0 N--CA 1.471 0.602 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 -179.831 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 12.0 mm100 -94.0 158.3 36.43 Favored Pre-proline 0 CA--C 1.54 0.585 0 CA-C-O 119.311 -0.376 . . . . 0.0 110.983 179.777 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_exo -72.7 149.19 48.23 Favored 'Trans proline' 0 C--N 1.377 2.05 0 C-N-CA 122.589 2.193 . . . . 0.0 112.836 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 7.4 t -99.3 158.89 15.39 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.178 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -97.01 152.71 18.46 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.065 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -93.4 -38.51 11.42 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.561 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -95.44 130.12 42.36 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.262 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 118.72 104.77 2.18 Favored Glycine 0 C--N 1.337 0.617 0 CA-C-N 115.789 -0.641 . . . . 0.0 112.487 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -100.35 144.59 29.18 Favored 'General case' 0 C--O 1.235 0.302 0 O-C-N 123.607 0.24 . . . . 0.0 110.631 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -112.61 144.0 42.84 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.133 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 52.4 m -127.82 149.67 50.17 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.019 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -97.97 -42.66 7.41 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.513 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 53.1 m -112.18 130.8 55.79 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.802 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 91.2 m-85 -103.49 157.61 33.5 Favored Pre-proline 0 CA--C 1.54 0.579 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.843 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 5.4 Cg_exo -75.34 -35.88 2.67 Favored 'Trans proline' 0 C--N 1.377 2.037 0 C-N-CA 122.499 2.133 . . . . 0.0 113.046 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 19.0 p -103.04 148.83 25.21 Favored 'General case' 0 C--O 1.235 0.321 0 O-C-N 123.416 0.448 . . . . 0.0 111.175 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -119.79 145.96 46.12 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.111 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -127.39 130.06 6.68 Favored Glycine 0 C--N 1.337 0.626 0 CA-C-N 115.933 -0.576 . . . . 0.0 112.533 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -106.25 147.16 29.44 Favored 'General case' 0 C--O 1.235 0.31 0 C-N-CA 122.343 0.257 . . . . 0.0 111.129 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -125.64 135.9 52.66 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.906 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -101.03 146.94 26.78 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.85 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 18.8 p -135.85 141.25 44.63 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.038 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -101.11 145.23 29.04 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.852 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -125.78 148.21 49.17 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.061 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 5.8 mp -126.56 146.13 50.26 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.966 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 3.6 m -138.34 108.34 8.02 Favored Pre-proline 0 CA--C 1.544 0.72 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.18 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -65.15 -34.61 45.32 Favored 'Trans proline' 0 C--N 1.376 1.985 0 C-N-CA 122.694 2.263 . . . . 0.0 113.617 179.74 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 84.0 mtm180 -108.22 -45.61 3.89 Favored 'General case' 0 N--CA 1.467 0.379 0 O-C-N 123.278 0.361 . . . . 0.0 111.56 -179.654 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 119.64 -83.9 0.36 Allowed Glycine 0 C--N 1.341 0.837 0 C-N-CA 121.297 -0.478 . . . . 0.0 112.461 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 52.6 m -102.28 146.92 27.33 Favored 'General case' 0 C--O 1.234 0.278 0 O-C-N 123.666 0.274 . . . . 0.0 110.939 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 155.69 145.36 4.16 Favored Glycine 0 C--N 1.337 0.616 0 CA-C-N 115.852 -0.613 . . . . 0.0 112.53 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 -100.37 137.95 38.1 Favored 'General case' 0 C--O 1.235 0.316 0 O-C-N 123.647 0.263 . . . . 0.0 110.89 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 100.9 103.43 2.62 Favored Glycine 0 C--N 1.337 0.636 0 CA-C-N 115.802 -0.635 . . . . 0.0 112.394 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -105.04 146.99 28.32 Favored 'General case' 0 C--O 1.234 0.274 0 O-C-N 123.621 0.248 . . . . 0.0 110.97 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -98.83 -20.65 16.75 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.292 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -90.99 -19.59 23.05 Favored 'General case' 0 N--CA 1.468 0.453 0 O-C-N 123.408 0.442 . . . . 0.0 111.468 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -76.62 -30.02 56.72 Favored 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 112.287 0.476 . . . . 0.0 112.287 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 13.8 mt -86.2 -29.63 23.04 Favored 'General case' 0 N--CA 1.469 0.487 0 O-C-N 123.343 0.402 . . . . 0.0 111.755 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -75.11 -40.74 59.71 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 122.633 0.373 . . . . 0.0 111.622 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -64.63 -38.4 90.88 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.669 179.447 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -76.71 -35.78 57.63 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.521 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -69.58 -37.8 77.11 Favored 'General case' 0 N--CA 1.47 0.572 0 O-C-N 123.381 0.425 . . . . 0.0 111.601 179.485 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -75.7 -37.45 59.46 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.448 179.423 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' SER . . . . . 0.484 ' O ' ' HG2' ' A' ' 112' ' ' GLU . 73.0 m -69.28 -40.02 78.0 Favored 'General case' 0 N--CA 1.472 0.643 0 O-C-N 123.278 0.361 . . . . 0.0 111.128 179.127 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 24.6 mt -70.21 -38.82 75.36 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.044 179.282 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -71.07 -30.15 66.22 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.902 179.663 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -74.38 -38.89 63.03 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.472 179.464 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.484 ' HG2' ' O ' ' A' ' 108' ' ' SER . 7.7 pt-20 -73.6 -31.09 63.38 Favored 'General case' 0 N--CA 1.476 0.847 0 O-C-N 123.3 0.375 . . . . 0.0 111.657 178.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 48.4 mt -77.04 -33.1 20.08 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 O-C-N 123.207 0.317 . . . . 0.0 110.477 178.651 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -71.25 -40.12 71.19 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-O 120.801 0.334 . . . . 0.0 110.467 178.505 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 11.8 t80 -70.02 -35.79 74.59 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.024 178.441 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.671 ' O ' HG12 ' A' ' 120' ' ' ILE . 10.3 tp -65.19 -40.53 94.35 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.523 178.639 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -66.56 -38.52 87.28 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.012 179.105 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -68.6 -30.88 69.71 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.122 178.594 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 14.9 mt -73.69 -34.27 64.79 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.483 179.094 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' ILE . . . . . 0.671 HG12 ' O ' ' A' ' 116' ' ' LEU . 30.0 mm -72.44 -37.36 57.3 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.301 178.774 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -72.81 -32.64 65.68 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.423 179.288 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -75.89 -33.67 59.94 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.553 179.267 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.405 HG12 ' O ' ' A' ' 120' ' ' ILE . 9.9 p -75.16 -34.95 32.87 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.785 0 O-C-N 123.302 0.376 . . . . 0.0 110.523 179.085 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -71.2 -39.84 71.55 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.109 178.565 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 58.7 mttp -74.22 -30.32 62.13 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.908 179.475 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -75.04 -42.96 56.03 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 116.267 -0.424 . . . . 0.0 112.118 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' ARG . . . . . 0.507 ' NH1' ' HB3' ' A' ' 65' ' ' LEU . 86.5 mtt180 -134.83 145.26 48.16 Favored 'General case' 0 N--CA 1.466 0.346 0 O-C-N 123.353 0.408 . . . . 0.0 110.965 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 160.4 162.02 12.03 Favored Glycine 0 C--N 1.339 0.723 0 CA-C-N 115.816 -0.629 . . . . 0.0 112.65 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.453 ' HE3' ' O ' ' A' ' 11' ' ' SER . 95.7 mttt -97.98 141.08 31.38 Favored 'General case' 0 C--O 1.234 0.287 0 C-N-CA 122.309 0.244 . . . . 0.0 111.061 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -131.29 127.55 37.97 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.694 179.774 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 62.84 125.88 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 123.964 0.906 . . . . 0.0 112.014 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 3.9 m -134.8 158.9 74.01 Favored Pre-proline 0 CA--C 1.545 0.757 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.298 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 6.6 Cg_exo . . . . . 0 C--N 1.375 1.942 0 C-N-CA 122.664 2.243 . . . . 0.0 112.72 179.885 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.294 0 CA-C-O 119.284 -0.731 . . . . 0.0 112.566 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 5.4 Cg_exo -75.94 142.59 25.29 Favored 'Trans proline' 0 C--N 1.37 1.697 0 C-N-CA 122.968 2.445 . . . . 0.0 112.742 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 12.4 t-105 -125.3 142.2 51.64 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.585 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -103.33 144.95 30.68 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.906 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -125.52 144.81 50.38 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.743 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -99.98 114.94 28.57 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.024 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 53.2 m -138.9 -43.94 0.47 Allowed 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.975 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 9.2 t-80 -131.02 -11.7 3.71 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.273 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.1 pp -90.01 85.3 2.39 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.509 0 CA-C-O 121.427 0.632 . . . . 0.0 111.418 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.435 ' O ' HG13 ' A' ' 14' ' ' VAL . 2.9 m -148.05 -36.12 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 CA-C-N 115.105 -0.952 . . . . 0.0 111.011 179.81 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 58.1 m -85.92 -14.9 43.38 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.837 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -98.03 -20.42 17.4 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.65 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -89.61 -22.07 22.5 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.864 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.435 HG13 ' O ' ' A' ' 10' ' ' VAL . 2.9 m -64.75 -39.82 86.93 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 N-CA-C 112.814 0.672 . . . . 0.0 112.814 -179.828 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -62.23 -39.87 98.26 Favored Glycine 0 C--N 1.342 0.87 0 O-C-N 123.519 0.512 . . . . 0.0 113.485 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -76.59 -31.5 57.52 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 122.602 0.361 . . . . 0.0 111.255 179.68 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -75.67 -34.25 60.45 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.046 179.305 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.418 ' HA ' HG22 ' A' ' 21' ' ' ILE . 98.0 m -74.49 -38.42 62.89 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.646 178.82 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.567 ' O ' HG22 ' A' ' 23' ' ' VAL . 41.9 mt-10 -70.29 -35.37 73.67 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.39 178.901 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.37 -40.53 67.22 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.427 179.398 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.418 HG22 ' HA ' ' A' ' 18' ' ' CYS . 1.1 tt -71.33 -27.64 29.71 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.847 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.389 178.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.1 -43.72 47.25 Favored Glycine 0 C--N 1.348 1.199 0 CA-C-N 115.712 -0.676 . . . . 0.0 112.241 178.646 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.567 HG22 ' O ' ' A' ' 19' ' ' GLU . 2.8 m -71.23 -30.46 40.42 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 CA-C-O 120.631 0.253 . . . . 0.0 111.28 178.796 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -72.89 -36.26 67.3 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.843 178.5 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.8 tp -70.22 -39.44 75.11 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.218 179.339 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.3 mt -70.79 -38.61 73.38 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.391 179.508 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 9.9 t-80 -72.36 -31.8 65.92 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.776 179.119 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.467 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 5.0 tp -74.72 -31.83 61.96 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.752 179.059 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -73.87 -36.68 64.85 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.765 178.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -69.67 -39.98 76.67 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.454 178.68 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 52.7 mt-30 -74.15 -27.2 60.72 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.021 178.873 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.467 ' HB2' ' O ' ' A' ' 28' ' ' LEU . 3.7 tt -72.12 -39.62 68.71 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.788 179.275 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.437 ' O ' ' HD1' ' A' ' 37' ' ' TYR . 4.8 tp -71.59 -39.8 70.32 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.415 178.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -71.98 -26.54 72.29 Favored Glycine 0 C--N 1.344 1.004 0 CA-C-N 115.71 -0.677 . . . . 0.0 112.792 178.883 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -81.09 -33.04 33.62 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 122.721 0.408 . . . . 0.0 111.907 179.334 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 47.8 mtt -78.98 -33.79 44.76 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 112.372 0.508 . . . . 0.0 112.372 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.437 ' HD1' ' O ' ' A' ' 33' ' ' LEU . 25.8 m-85 -81.13 -39.26 25.88 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 111.931 0.345 . . . . 0.0 111.931 179.776 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 53.2 m -86.74 -21.63 26.46 Favored 'General case' 0 N--CA 1.47 0.568 0 O-C-N 123.403 0.439 . . . . 0.0 111.865 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 72.3 m-70 62.06 111.63 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 123.926 0.89 . . . . 0.0 111.907 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.405 ' CB ' HD12 ' A' ' 43' ' ' LEU . 7.7 m-20 -142.62 164.41 30.18 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.792 -179.809 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -106.94 -40.03 5.59 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.398 179.805 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.85 -31.51 72.18 Favored 'General case' 0 N--CA 1.473 0.717 0 N-CA-C 112.842 0.682 . . . . 0.0 112.842 -179.72 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.405 HD12 ' CB ' ' A' ' 40' ' ' ASP . 2.5 mt -67.06 -28.58 68.32 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 112.43 0.53 . . . . 0.0 112.43 -179.636 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -68.86 -37.48 79.12 Favored 'General case' 0 N--CA 1.474 0.746 0 O-C-N 123.134 0.271 . . . . 0.0 111.213 178.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -72.41 -38.11 68.48 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.531 178.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 16.4 t -68.89 -36.88 78.58 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 115.701 -0.682 . . . . 0.0 110.865 178.538 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.418 ' O ' ' HB2' ' A' ' 51' ' ' LEU . 17.5 mt -70.7 -33.8 71.27 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.594 178.752 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -70.37 -40.55 73.94 Favored 'General case' 0 N--CA 1.474 0.755 0 O-C-N 123.5 0.5 . . . . 0.0 111.391 179.381 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -70.46 -39.69 69.02 Favored Glycine 0 C--N 1.344 1.006 0 CA-C-N 116.073 -0.512 . . . . 0.0 112.345 179.036 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.608 ' O ' HG23 ' A' ' 54' ' ' VAL . 43.7 mt-10 -69.52 -35.63 75.67 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 122.753 0.421 . . . . 0.0 110.847 179.03 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.418 ' HB2' ' O ' ' A' ' 47' ' ' LEU . 2.4 tp -70.06 -34.95 73.86 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.838 179.128 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 19.1 mm-40 -71.86 -33.75 68.67 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.361 179.017 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 19.5 p -73.56 -36.03 65.55 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.54 179.003 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.608 HG23 ' O ' ' A' ' 50' ' ' GLU . 57.5 t -73.17 -34.33 44.4 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.185 178.877 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 64.7 mttm -72.9 -34.5 66.69 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.827 178.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -73.02 -33.46 65.76 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.96 178.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 19.2 p -73.03 -37.06 67.03 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.189 179.016 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 17.5 mt -70.74 -38.06 73.49 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.884 178.825 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -69.29 -36.9 77.52 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.748 178.82 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -70.2 -32.18 69.98 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.092 178.801 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 87.1 mtp -70.76 -40.89 72.4 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.482 179.122 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 3.0 tp -75.28 -27.22 19.3 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.861 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.244 179.278 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.8 tp -83.49 -24.42 31.75 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.4 179.537 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -89.52 -29.38 18.98 Favored 'General case' 0 N--CA 1.469 0.495 0 O-C-N 123.348 0.405 . . . . 0.0 111.766 179.768 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 20.3 mt -87.53 -38.39 16.05 Favored 'General case' 0 N--CA 1.471 0.585 0 O-C-N 123.188 0.305 . . . . 0.0 111.517 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 -116.91 106.5 47.63 Favored Pre-proline 0 CA--C 1.542 0.659 0 O-C-N 123.437 0.46 . . . . 0.0 110.659 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 22.8 Cg_exo -66.13 -35.0 35.09 Favored 'Trans proline' 0 C--N 1.375 1.974 0 C-N-CA 122.608 2.205 . . . . 0.0 113.344 179.742 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 18.8 p -127.97 137.83 52.39 Favored 'General case' 0 C--O 1.236 0.353 0 O-C-N 123.386 0.429 . . . . 0.0 111.198 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 34.1 tttm -107.28 130.59 54.74 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.513 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -100.81 130.9 46.9 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.856 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -125.61 144.68 50.47 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.199 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 100.68 54.03 1.02 Allowed Glycine 0 C--N 1.335 0.527 0 O-C-N 123.635 0.584 . . . . 0.0 112.521 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -129.86 139.61 51.15 Favored 'General case' 0 C--O 1.235 0.306 0 C-N-CA 122.292 0.237 . . . . 0.0 110.898 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -118.21 129.87 55.75 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.054 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 16.0 t -128.88 145.18 51.28 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.74 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -126.14 137.56 53.59 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.078 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 53.3 m -127.39 -41.88 1.7 Allowed 'General case' 0 C--O 1.236 0.363 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.282 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 90.6 m-85 -122.11 157.91 56.76 Favored Pre-proline 0 CA--C 1.538 0.507 0 O-C-N 123.299 0.374 . . . . 0.0 110.986 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 6.5 Cg_exo -74.84 149.89 38.19 Favored 'Trans proline' 0 C--N 1.376 2.015 0 C-N-CA 122.57 2.18 . . . . 0.0 112.735 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 40.7 p 52.2 107.33 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 124.379 1.072 . . . . 0.0 112.857 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -104.7 -42.48 5.38 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.386 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 161.32 67.58 0.02 OUTLIER Glycine 0 C--N 1.339 0.73 0 O-C-N 123.463 0.477 . . . . 0.0 112.499 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -99.66 -42.23 6.97 Favored 'General case' 0 C--O 1.235 0.341 0 O-C-N 123.633 0.255 . . . . 0.0 111.426 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -99.24 -43.1 6.74 Favored 'General case' 0 C--O 1.236 0.387 0 O-C-N 123.403 0.44 . . . . 0.0 111.13 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -105.06 144.39 31.93 Favored 'General case' 0 C--O 1.235 0.298 0 O-C-N 123.303 0.377 . . . . 0.0 110.545 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 19.5 p -99.31 -46.26 5.58 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.337 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -111.18 129.84 55.82 Favored 'General case' 0 C--O 1.234 0.251 0 O-C-N 123.497 0.498 . . . . 0.0 110.523 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -108.36 -41.63 4.81 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.428 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.401 HD23 ' N ' ' A' ' 90' ' ' VAL . 2.7 tt -100.09 146.36 26.88 Favored 'General case' 0 C--O 1.236 0.367 0 O-C-N 123.385 0.428 . . . . 0.0 110.558 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.401 ' N ' HD23 ' A' ' 89' ' ' LEU . 3.3 m -133.4 106.82 12.09 Favored Pre-proline 0 CA--C 1.545 0.779 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.281 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 28.4 Cg_exo -63.51 137.66 60.96 Favored 'Trans proline' 0 C--N 1.376 1.992 0 C-N-CA 122.637 2.225 . . . . 0.0 112.982 179.606 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 35.5 ttt180 -100.96 143.55 30.97 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.664 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 149.05 113.6 0.69 Allowed Glycine 0 C--N 1.337 0.622 0 CA-C-N 115.894 -0.594 . . . . 0.0 112.463 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 16.1 t -127.96 130.56 48.61 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 122.305 0.242 . . . . 0.0 110.759 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -161.38 -136.14 1.95 Allowed Glycine 0 C--N 1.336 0.529 0 O-C-N 123.624 0.578 . . . . 0.0 112.478 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -127.95 152.12 48.27 Favored 'General case' 0 C--O 1.234 0.274 0 C-N-CA 122.305 0.242 . . . . 0.0 110.701 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -97.89 119.33 6.39 Favored Glycine 0 C--N 1.338 0.689 0 CA-C-N 115.89 -0.596 . . . . 0.0 112.611 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -129.66 -39.85 1.43 Allowed 'General case' 0 N--CA 1.467 0.389 0 O-C-N 123.636 0.257 . . . . 0.0 111.216 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' ASN . . . . . 0.481 ' OD1' HD12 ' A' ' 102' ' ' LEU . 46.9 m-80 -97.11 127.32 42.96 Favored 'General case' 0 N--CA 1.467 0.376 0 O-C-N 123.575 0.547 . . . . 0.0 110.814 -179.853 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -131.04 -33.13 1.56 Allowed 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.238 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -76.9 -29.6 55.82 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.867 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.481 HD12 ' OD1' ' A' ' 99' ' ' ASN . 23.5 mt -84.57 -26.65 27.83 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.744 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -72.46 -37.61 68.48 Favored 'General case' 0 N--CA 1.473 0.681 0 O-C-N 123.266 0.354 . . . . 0.0 111.87 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -64.66 -39.68 94.1 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.643 179.66 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.434 ' O ' ' HB2' ' A' ' 109' ' ' LEU . 97.1 mttt -78.32 -31.63 48.88 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.516 179.777 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -71.55 -40.85 69.74 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.514 179.224 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -75.92 -36.01 59.56 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.778 179.63 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' SER . . . . . 0.416 ' O ' ' HG3' ' A' ' 112' ' ' GLU . 17.1 t -70.54 -42.11 71.64 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 123.295 0.372 . . . . 0.0 111.087 179.435 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.434 ' HB2' ' O ' ' A' ' 105' ' ' LYS . 5.0 mp -71.94 -33.78 68.51 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.321 179.287 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -70.86 -33.75 70.95 Favored 'General case' 0 N--CA 1.471 0.602 0 O-C-N 123.344 0.402 . . . . 0.0 110.88 178.583 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.457 ' O ' ' HB2' ' A' ' 115' ' ' TYR . 63.8 mttm -75.12 -29.75 60.66 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.699 178.504 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.416 ' HG3' ' O ' ' A' ' 108' ' ' SER . 45.9 mt-10 -72.32 -39.3 68.32 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.4 178.764 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 13.2 mt -73.05 -37.25 52.84 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.078 179.051 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 53.6 mt-30 -70.56 -32.54 69.99 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.863 178.631 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' TYR . . . . . 0.457 ' HB2' ' O ' ' A' ' 111' ' ' LYS . 10.6 t80 -72.33 -36.46 68.84 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.831 179.117 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 13.7 mt -69.42 -37.91 77.65 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.016 178.659 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -68.41 -39.22 81.71 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.947 178.822 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -68.94 -32.2 71.62 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.134 178.537 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.577 ' O ' HG22 ' A' ' 123' ' ' VAL . 14.4 mt -70.57 -39.21 74.04 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.652 179.307 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 14.3 mt -70.56 -36.47 65.94 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.202 178.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' GLU . . . . . 0.411 ' O ' ' HB2' ' A' ' 125' ' ' LYS . 42.8 mt-10 -72.95 -28.01 62.17 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.516 178.824 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -76.13 -38.42 56.82 Favored 'General case' 0 N--CA 1.469 0.503 0 O-C-N 123.393 0.433 . . . . 0.0 111.538 179.307 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.602 ' O ' ' HG2' ' A' ' 127' ' ' ARG . 2.6 m -72.59 -36.29 53.26 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 O-C-N 123.355 0.409 . . . . 0.0 111.002 178.769 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -70.39 -39.08 74.73 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.652 178.696 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' LYS . . . . . 0.411 ' HB2' ' O ' ' A' ' 121' ' ' GLU . 54.9 tttt -74.44 -25.81 59.66 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.276 178.796 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -75.04 -42.37 57.24 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 116.105 -0.498 . . . . 0.0 112.277 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' ARG . . . . . 0.602 ' HG2' ' O ' ' A' ' 123' ' ' VAL . 17.4 ptt180 -90.44 121.22 32.21 Favored 'General case' 0 N--CA 1.471 0.58 0 O-C-N 123.145 0.278 . . . . 0.0 111.291 179.792 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -108.44 -151.22 15.34 Favored Glycine 0 C--N 1.337 0.637 0 CA-C-N 115.824 -0.626 . . . . 0.0 112.616 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -131.37 -36.49 1.28 Allowed 'General case' 0 N--CA 1.467 0.385 0 O-C-N 123.706 0.298 . . . . 0.0 111.481 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -90.34 -39.83 12.47 Favored 'General case' 0 N--CA 1.469 0.516 0 O-C-N 123.371 0.419 . . . . 0.0 111.563 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -96.98 130.98 44.23 Favored 'General case' 0 N--CA 1.467 0.386 0 O-C-N 123.316 0.385 . . . . 0.0 110.97 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 3.1 m -134.42 96.28 15.54 Favored Pre-proline 0 CA--C 1.547 0.828 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.247 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 13.4 Cg_exo . . . . . 0 C--N 1.374 1.91 0 C-N-CA 122.736 2.291 . . . . 0.0 112.818 179.493 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.234 0 CA-C-O 119.296 -0.724 . . . . 0.0 112.615 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 6.9 Cg_exo -75.05 139.86 24.64 Favored 'Trans proline' 0 C--N 1.37 1.672 0 C-N-CA 122.982 2.454 . . . . 0.0 112.833 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 10.2 t-105 -129.44 141.84 50.94 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.483 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -101.76 131.85 47.83 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.899 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.528 ' O ' HG12 ' A' ' 9' ' ' ILE . 43.5 mt-10 -132.05 -36.3 1.18 Allowed 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.481 -179.78 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -95.24 -34.63 12.14 Favored 'General case' 0 N--CA 1.467 0.407 0 O-C-N 123.487 0.492 . . . . 0.0 111.793 -179.597 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 14.7 t -92.87 155.09 17.83 Favored 'General case' 0 N--CA 1.465 0.32 0 O-C-N 123.32 0.388 . . . . 0.0 111.275 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 48.3 m-70 64.81 14.25 9.04 Favored 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 123.96 0.904 . . . . 0.0 112.928 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.528 HG12 ' O ' ' A' ' 5' ' ' GLU . 2.3 pp -120.03 -14.31 8.48 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.522 0 N-CA-C 111.988 0.366 . . . . 0.0 111.988 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 3.6 m -87.62 79.11 1.66 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 CA-C-O 121.333 0.587 . . . . 0.0 111.574 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 49.4 m -143.62 -43.87 0.28 Allowed 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.867 179.703 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -97.84 -12.18 22.45 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.691 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -87.73 -22.65 24.47 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 122.601 0.36 . . . . 0.0 111.748 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.4 t -77.43 -22.74 14.29 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 C-N-CA 122.713 0.405 . . . . 0.0 111.336 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -73.36 -44.22 35.01 Favored Glycine 0 C--N 1.345 1.041 0 CA-C-N 116.505 -0.316 . . . . 0.0 113.245 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -74.48 -32.14 62.45 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 122.576 0.35 . . . . 0.0 111.445 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.649 ' O ' HG12 ' A' ' 21' ' ' ILE . 97.0 mttt -72.37 -39.41 68.06 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.131 179.532 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 83.8 m -71.72 -36.87 70.64 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.948 178.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.566 ' O ' HG22 ' A' ' 23' ' ' VAL . 40.0 mt-10 -70.1 -31.71 69.41 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.141 178.86 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -73.09 -41.64 63.85 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.55 179.263 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.649 HG12 ' O ' ' A' ' 17' ' ' LYS . 39.3 mm -71.41 -27.37 28.65 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.898 178.63 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -71.12 -45.42 49.97 Favored Glycine 0 C--N 1.348 1.197 0 CA-C-N 115.924 -0.58 . . . . 0.0 112.436 178.651 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.566 HG22 ' O ' ' A' ' 19' ' ' GLU . 3.7 m -71.44 -30.63 40.12 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 CA-C-O 120.585 0.231 . . . . 0.0 111.547 179.054 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.448 ' O ' ' HB2' ' A' ' 28' ' ' LEU . 96.3 mttt -74.65 -34.13 62.66 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.959 178.784 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.408 ' HB2' ' O ' ' A' ' 21' ' ' ILE . 2.3 tt -70.12 -41.95 73.27 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 115.921 -0.582 . . . . 0.0 111.0 179.086 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.9 mt -69.82 -38.32 76.52 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.011 179.151 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 9.2 t-80 -71.41 -31.52 67.34 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.748 179.038 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.505 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 4.9 tp -74.92 -30.47 61.26 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.857 178.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -72.87 -41.02 65.17 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.091 178.663 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -69.89 -37.4 76.02 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.129 178.738 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -74.33 -29.87 61.79 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.527 179.189 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.505 ' HB2' ' O ' ' A' ' 28' ' ' LEU . 2.0 tt -73.57 -39.88 64.32 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.087 179.728 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.1 tt -71.61 -39.21 70.62 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.456 179.129 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -72.35 -28.16 68.43 Favored Glycine 0 C--N 1.344 1.014 0 CA-C-N 115.605 -0.725 . . . . 0.0 112.875 178.808 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -80.89 -31.04 35.37 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 122.586 0.354 . . . . 0.0 111.833 179.325 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 82.6 mtp -80.4 -32.18 37.56 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.653 179.703 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 10.4 t80 -81.27 -41.47 22.12 Favored 'General case' 0 N--CA 1.47 0.554 0 O-C-N 123.399 0.437 . . . . 0.0 111.411 179.766 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 53.7 m -86.72 -24.77 25.04 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 116.152 -0.476 . . . . 0.0 112.003 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 70.3 m-70 63.34 110.03 0.03 OUTLIER 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 123.805 0.842 . . . . 0.0 111.933 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -141.12 163.5 32.8 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.775 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -99.69 -40.43 7.77 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.421 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.73 -28.95 68.83 Favored 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 112.848 0.684 . . . . 0.0 112.848 -179.608 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.444 ' O ' ' HB2' ' A' ' 47' ' ' LEU . 4.3 mm? -67.27 -28.67 68.22 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 112.516 0.562 . . . . 0.0 112.516 -179.534 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 46.8 m-85 -74.82 -34.52 62.37 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 122.39 0.276 . . . . 0.0 111.675 179.621 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 -72.31 -42.36 65.52 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.805 179.219 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 52.1 m -69.26 -34.89 75.47 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.263 178.744 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.444 ' HB2' ' O ' ' A' ' 43' ' ' LEU . 4.5 tp -70.78 -36.62 73.12 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.601 179.484 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 -72.3 -39.3 68.39 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.782 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -71.57 -39.64 60.46 Favored Glycine 0 C--N 1.343 0.962 0 CA-C-N 116.176 -0.465 . . . . 0.0 112.928 179.479 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.489 ' O ' HG22 ' A' ' 54' ' ' VAL . 43.5 mt-10 -71.95 -35.73 69.66 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 122.749 0.42 . . . . 0.0 111.513 179.647 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.401 ' HB2' ' O ' ' A' ' 47' ' ' LEU . 3.8 tp -72.47 -35.7 68.28 Favored 'General case' 0 N--CA 1.47 0.551 0 O-C-N 123.572 0.545 . . . . 0.0 111.253 179.58 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -74.45 -31.41 62.25 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.205 179.096 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 17.2 p -74.5 -36.98 63.25 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.534 179.135 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.489 HG22 ' O ' ' A' ' 50' ' ' GLU . 13.7 m -74.11 -34.18 37.6 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.989 178.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -71.54 -36.98 71.16 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.032 178.778 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -72.98 -33.17 65.66 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.017 178.85 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 11.5 p -73.78 -35.35 64.94 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.435 179.058 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 20.9 mt -72.92 -36.58 67.27 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.868 178.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.523 ' O ' HG13 ' A' ' 62' ' ' ILE . 9.6 tt0 -69.54 -38.35 77.46 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.636 178.833 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.38 -35.05 75.44 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.781 178.829 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.464 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 81.7 mtp -66.63 -43.18 85.41 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.5 179.247 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.523 HG13 ' O ' ' A' ' 59' ' ' GLN . 1.2 pt -74.4 -25.96 19.95 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 O-C-N 123.414 0.446 . . . . 0.0 111.817 179.662 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.4 mp -82.95 -20.61 34.92 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.216 178.651 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -86.96 -38.75 16.35 Favored 'General case' 0 N--CA 1.468 0.471 0 N-CA-C 112.305 0.483 . . . . 0.0 112.305 179.593 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.464 ' HG ' ' O ' ' A' ' 61' ' ' MET . 3.3 pp -94.82 -41.77 9.05 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 112.123 0.416 . . . . 0.0 112.123 -179.647 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -102.3 153.77 37.86 Favored Pre-proline 0 CA--C 1.537 0.477 0 O-C-N 123.219 0.325 . . . . 0.0 111.281 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo -79.83 153.92 22.91 Favored 'Trans proline' 0 C--N 1.375 1.934 0 C-N-CA 122.781 2.321 . . . . 0.0 112.795 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 17.0 p -142.01 146.25 35.35 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.01 179.723 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -98.33 143.78 28.43 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.972 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -101.2 152.01 21.16 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.701 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -98.02 149.93 21.93 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.147 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -98.66 -144.91 17.74 Favored Glycine 0 C--N 1.338 0.682 0 CA-C-N 115.831 -0.622 . . . . 0.0 112.546 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -118.78 -41.12 2.81 Favored 'General case' 0 N--CA 1.467 0.411 0 O-C-N 123.638 0.257 . . . . 0.0 111.241 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -97.88 150.0 21.77 Favored 'General case' 0 C--O 1.234 0.288 0 O-C-N 123.341 0.401 . . . . 0.0 111.353 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 52.6 m 62.81 124.83 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 123.964 0.906 . . . . 0.0 112.126 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -126.65 144.07 51.03 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.128 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 54.8 m -106.46 135.6 47.68 Favored 'General case' 0 C--O 1.234 0.277 0 O-C-N 123.708 0.63 . . . . 0.0 110.949 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 88.6 m-85 -98.87 114.05 65.1 Favored Pre-proline 0 CA--C 1.541 0.631 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.819 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 25.6 Cg_exo -64.39 151.71 84.42 Favored 'Trans proline' 0 C--N 1.376 2.001 0 C-N-CA 122.634 2.223 . . . . 0.0 112.991 179.466 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 41.2 p 52.41 107.48 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 124.216 1.006 . . . . 0.0 112.852 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -103.58 131.82 50.38 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.057 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 132.89 -74.8 0.43 Allowed Glycine 0 C--N 1.337 0.62 0 CA-C-N 115.827 -0.624 . . . . 0.0 112.474 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -100.26 146.77 26.51 Favored 'General case' 0 C--O 1.235 0.32 0 O-C-N 123.627 0.251 . . . . 0.0 111.139 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 19.8 mm-40 -100.41 141.06 33.78 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.783 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -124.0 138.75 54.41 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.896 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 18.7 p -139.02 144.47 38.88 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.063 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -128.49 145.11 51.2 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.839 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -100.13 137.55 38.41 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.187 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 12.2 mt -107.86 -42.91 4.58 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.314 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 4.0 m -129.91 157.86 75.57 Favored Pre-proline 0 CA--C 1.545 0.771 0 O-C-N 123.358 0.411 . . . . 0.0 111.308 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_exo -75.43 157.67 40.88 Favored 'Trans proline' 0 C--N 1.375 1.95 0 C-N-CA 122.585 2.19 . . . . 0.0 112.748 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -128.11 131.1 49.03 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.851 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 110.59 -92.29 0.67 Allowed Glycine 0 C--N 1.338 0.677 0 CA-C-N 115.864 -0.607 . . . . 0.0 112.465 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 53.3 m -100.31 144.63 29.1 Favored 'General case' 0 C--O 1.235 0.295 0 C-N-CA 122.329 0.252 . . . . 0.0 110.914 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -107.86 58.97 0.39 Allowed Glycine 0 C--N 1.338 0.688 0 CA-C-N 115.86 -0.609 . . . . 0.0 112.498 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -127.67 131.91 49.75 Favored 'General case' 0 C--O 1.235 0.31 0 O-C-N 123.702 0.296 . . . . 0.0 110.557 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 167.98 145.53 4.58 Favored Glycine 0 C--N 1.336 0.531 0 O-C-N 123.672 0.607 . . . . 0.0 112.652 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -129.09 -38.66 1.6 Allowed 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 122.364 0.265 . . . . 0.0 111.236 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' ASN . . . . . 0.401 ' O ' ' HG3' ' A' ' 103' ' ' LYS . 41.8 m-80 -92.99 -8.91 41.7 Favored 'General case' 0 N--CA 1.468 0.459 0 O-C-N 123.38 0.425 . . . . 0.0 111.775 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -88.16 -21.12 24.78 Favored 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 111.931 0.345 . . . . 0.0 111.931 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -76.95 -29.95 55.84 Favored 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 112.193 0.442 . . . . 0.0 112.193 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 13.3 mt -86.18 -26.61 25.03 Favored 'General case' 0 N--CA 1.469 0.516 0 O-C-N 123.481 0.488 . . . . 0.0 111.84 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.401 ' HG3' ' O ' ' A' ' 99' ' ' ASN . 96.4 mttt -67.74 -37.46 82.19 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 112.132 0.419 . . . . 0.0 112.132 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -64.52 -38.95 92.81 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 122.783 0.433 . . . . 0.0 111.55 179.562 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 59.0 mttp -74.78 -33.5 62.28 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.271 179.61 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -71.51 -36.41 71.06 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.531 179.426 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 -75.61 -35.46 60.5 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.42 179.282 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' SER . . . . . 0.422 ' O ' ' HG3' ' A' ' 112' ' ' GLU . 16.1 t -70.57 -41.44 72.41 Favored 'General case' 0 N--CA 1.471 0.592 0 O-C-N 123.309 0.381 . . . . 0.0 110.991 179.047 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 26.8 mt -70.68 -35.92 73.06 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.147 179.262 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -69.74 -34.43 73.82 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.269 179.01 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -74.44 -29.9 61.67 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.853 178.814 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.422 ' HG3' ' O ' ' A' ' 108' ' ' SER . 45.2 mt-10 -73.44 -38.24 65.58 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.458 178.842 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 13.6 mt -74.34 -34.21 36.08 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.247 179.272 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 52.9 mt-30 -72.64 -34.03 67.01 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.012 178.853 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 10.4 t80 -72.19 -38.2 69.12 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.614 179.189 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.694 ' O ' HG12 ' A' ' 120' ' ' ILE . 15.1 mt -68.2 -38.4 81.92 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.895 178.713 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 64.1 mttm -68.34 -37.93 81.01 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.33 179.273 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -68.81 -33.71 74.3 Favored 'General case' 0 N--CA 1.47 0.56 0 O-C-N 123.459 0.474 . . . . 0.0 111.425 178.75 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 16.5 mt -71.33 -38.96 71.66 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.789 179.299 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' ILE . . . . . 0.694 HG12 ' O ' ' A' ' 116' ' ' LEU . 28.5 mm -72.28 -33.66 46.87 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 O-C-N 123.356 0.41 . . . . 0.0 110.443 179.302 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -73.02 -33.57 65.82 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.452 179.259 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -74.94 -34.99 62.16 Favored 'General case' 0 N--CA 1.47 0.557 0 O-C-N 123.515 0.509 . . . . 0.0 111.433 179.493 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 9.9 p -74.87 -34.51 33.34 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.813 0 O-C-N 123.413 0.446 . . . . 0.0 110.606 178.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -71.17 -37.64 72.19 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.369 178.694 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -73.89 -36.56 64.78 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.853 179.504 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -75.35 -40.72 57.91 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 116.035 -0.529 . . . . 0.0 112.065 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 28.1 mmt180 -119.2 130.47 55.51 Favored 'General case' 0 C--O 1.235 0.317 0 O-C-N 123.517 0.51 . . . . 0.0 110.821 179.807 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 152.64 -62.56 0.38 Allowed Glycine 0 C--N 1.339 0.695 0 CA-C-N 115.819 -0.628 . . . . 0.0 112.524 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -128.37 -42.3 1.5 Allowed 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 122.286 0.234 . . . . 0.0 111.179 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -100.23 136.52 40.0 Favored 'General case' 0 N--CA 1.467 0.377 0 O-C-N 123.361 0.413 . . . . 0.0 110.828 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 74.6 mtp180 -113.52 -42.67 3.43 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.192 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 3.9 m -104.74 158.74 31.36 Favored Pre-proline 0 CA--C 1.545 0.754 0 O-C-N 123.405 0.441 . . . . 0.0 111.215 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 6.4 Cg_exo . . . . . 0 C--N 1.376 1.999 0 C-N-CA 122.514 2.142 . . . . 0.0 112.742 179.762 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.255 0 CA-C-O 119.223 -0.765 . . . . 0.0 112.548 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_exo -75.92 143.04 25.81 Favored 'Trans proline' 0 C--N 1.37 1.691 0 C-N-CA 122.954 2.436 . . . . 0.0 112.772 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 93.3 m95 -102.53 131.5 49.21 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.901 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -128.61 -39.99 1.61 Allowed 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.269 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.449 ' O ' HG12 ' A' ' 9' ' ' ILE . 48.0 mt-10 -99.56 149.61 23.08 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.757 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -130.79 -35.35 1.45 Allowed 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.707 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 13.7 t -88.94 -21.22 23.68 Favored 'General case' 0 N--CA 1.469 0.482 0 N-CA-C 112.102 0.408 . . . . 0.0 112.102 -179.634 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 66.9 m-70 -95.33 -15.52 23.04 Favored 'General case' 0 N--CA 1.468 0.438 0 N-CA-C 112.023 0.379 . . . . 0.0 112.023 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.449 HG12 ' O ' ' A' ' 5' ' ' GLU . 2.4 pp -91.88 -5.43 10.77 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 N-CA-C 112.206 0.447 . . . . 0.0 112.206 -179.866 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 5.3 m -89.26 69.11 0.65 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.604 0 CA-C-O 121.444 0.64 . . . . 0.0 111.338 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 52.9 m -138.73 -39.64 0.5 Allowed 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 115.224 -0.898 . . . . 0.0 111.118 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -95.51 -26.56 15.76 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.832 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -84.54 -22.66 30.05 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 122.55 0.34 . . . . 0.0 111.834 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.432 ' CG2' HH21 ' A' ' 127' ' ' ARG . 1.6 m -77.44 -36.07 23.0 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 N-CA-C 112.456 0.539 . . . . 0.0 112.456 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -57.3 -38.34 86.0 Favored Glycine 0 C--N 1.341 0.842 0 O-C-N 123.598 0.561 . . . . 0.0 114.012 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -75.63 -32.53 60.28 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 122.463 0.305 . . . . 0.0 111.286 179.56 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -75.52 -33.98 60.76 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.843 179.057 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.441 ' O ' HG22 ' A' ' 21' ' ' ILE . 48.5 t -72.95 -38.81 66.62 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.718 178.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.573 ' O ' HG22 ' A' ' 23' ' ' VAL . 42.8 mt-10 -70.24 -37.32 74.94 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.408 178.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.3 -38.03 68.83 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.513 179.522 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.441 HG22 ' O ' ' A' ' 18' ' ' CYS . 1.3 tp -72.34 -28.46 28.84 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.792 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.459 179.1 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -73.04 -42.81 42.85 Favored Glycine 0 C--N 1.349 1.266 0 CA-C-N 115.705 -0.68 . . . . 0.0 112.433 178.834 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.573 HG22 ' O ' ' A' ' 19' ' ' GLU . 2.9 m -71.21 -32.95 49.12 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 122.236 0.214 . . . . 0.0 111.232 178.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -71.61 -37.12 70.97 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.104 178.795 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.5 tp -69.82 -39.01 76.75 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.453 179.289 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.4 mt -69.63 -41.73 75.25 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.809 179.763 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 21.5 m80 -70.75 -31.77 68.7 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.439 179.264 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.452 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 0.8 OUTLIER -74.92 -31.49 61.55 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.355 179.036 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -72.86 -40.86 65.33 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.992 179.018 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -69.96 -37.64 75.87 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.246 178.874 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -74.4 -28.45 61.1 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.469 179.154 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.452 ' HB2' ' O ' ' A' ' 28' ' ' LEU . 3.6 tt -73.38 -41.5 63.29 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 122.855 0.462 . . . . 0.0 110.984 179.577 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.46 ' O ' ' HD2' ' A' ' 37' ' ' TYR . 8.8 mt -71.55 -37.53 71.09 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.705 178.902 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -71.97 -29.3 67.19 Favored Glycine 0 C--N 1.344 0.989 0 CA-C-N 115.722 -0.672 . . . . 0.0 112.465 178.835 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -80.99 -28.62 35.48 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 122.709 0.404 . . . . 0.0 111.582 178.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 36.5 mtt -78.21 -34.93 49.08 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 116.252 -0.431 . . . . 0.0 112.138 179.695 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.46 ' HD2' ' O ' ' A' ' 33' ' ' LEU . 16.0 m-85 -77.0 -33.21 57.6 Favored 'General case' 0 N--CA 1.472 0.66 0 O-C-N 123.385 0.428 . . . . 0.0 112.028 179.737 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 69.8 p -86.57 -22.68 26.15 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.867 179.734 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 65.9 m80 63.01 104.47 0.03 OUTLIER 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 123.895 0.878 . . . . 0.0 111.811 -179.703 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -143.73 161.86 37.49 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.797 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -101.16 -40.77 7.02 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.574 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.92 -38.18 85.72 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 112.705 0.632 . . . . 0.0 112.705 -179.646 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 6.4 mp -69.87 -28.85 65.99 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 112.365 0.505 . . . . 0.0 112.365 -179.628 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -70.88 -37.26 73.04 Favored 'General case' 0 N--CA 1.472 0.659 0 O-C-N 123.262 0.351 . . . . 0.0 111.173 179.141 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 54.9 mt-30 -72.32 -37.62 68.87 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.561 178.782 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 16.3 t -69.12 -37.83 78.57 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.995 178.586 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 19.8 mt -70.72 -33.73 71.16 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.75 179.207 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -71.46 -41.11 69.81 Favored 'General case' 0 N--CA 1.474 0.759 0 O-C-N 123.414 0.447 . . . . 0.0 111.406 179.415 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -71.5 -37.84 62.18 Favored Glycine 0 C--N 1.344 1.02 0 CA-C-N 116.055 -0.52 . . . . 0.0 112.542 179.094 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.57 ' O ' HG23 ' A' ' 54' ' ' VAL . 41.6 mt-10 -71.05 -35.73 72.04 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 122.787 0.435 . . . . 0.0 111.022 179.261 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.8 tp -71.2 -35.01 71.39 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.853 179.167 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 54.0 mt-30 -73.22 -31.98 64.48 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.261 179.013 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 18.6 p -75.1 -35.9 61.72 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.397 179.055 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.57 HG23 ' O ' ' A' ' 50' ' ' GLU . 85.1 t -74.11 -34.42 38.3 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.31 179.138 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -74.23 -34.62 63.72 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.112 179.034 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -73.04 -34.39 66.28 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.96 178.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 18.5 p -73.48 -36.36 65.79 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.991 178.877 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.7 tt -69.98 -38.52 76.07 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.644 179.114 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 11.9 mm100 -69.66 -38.63 77.17 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.143 179.055 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -70.32 -29.41 66.12 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 115.8 -0.637 . . . . 0.0 111.29 178.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.546 ' O ' ' HB2' ' A' ' 65' ' ' LEU . 5.6 tmm? -73.4 -43.27 60.88 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.096 179.315 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.426 ' H ' HG13 ' A' ' 62' ' ' ILE . 2.2 pp -75.09 -24.7 17.89 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.679 179.613 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.9 tp -82.3 -30.91 30.27 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.663 178.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 54.0 mt-30 -90.4 -15.73 30.43 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.294 179.265 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.546 ' HB2' ' O ' ' A' ' 61' ' ' MET . 2.3 tt -73.08 -34.78 66.42 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 122.81 0.444 . . . . 0.0 111.495 179.555 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -94.76 110.27 48.5 Favored Pre-proline 0 CA--C 1.545 0.757 0 O-C-N 123.539 0.524 . . . . 0.0 110.599 179.777 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 25.0 Cg_exo -64.35 -34.9 53.21 Favored 'Trans proline' 0 C--N 1.374 1.901 0 C-N-CA 122.586 2.19 . . . . 0.0 113.483 179.671 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 7.5 t -114.51 144.42 43.38 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.104 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 59.1 mttp -114.88 134.49 55.1 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.749 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -128.62 -43.26 1.41 Allowed 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.233 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -103.11 144.38 31.38 Favored 'General case' 0 C--O 1.236 0.347 0 O-C-N 123.376 0.422 . . . . 0.0 111.227 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -106.96 -57.07 0.61 Allowed Glycine 0 C--N 1.336 0.564 0 O-C-N 123.664 0.603 . . . . 0.0 112.464 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -100.84 133.55 45.15 Favored 'General case' 0 C--O 1.236 0.367 0 O-C-N 123.636 0.256 . . . . 0.0 110.831 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -99.4 -42.41 6.98 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.522 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 52.8 m -127.74 141.55 51.56 Favored 'General case' 0 C--O 1.234 0.286 0 O-C-N 123.405 0.44 . . . . 0.0 110.991 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -126.11 -42.27 1.88 Allowed 'General case' 0 C--O 1.236 0.353 0 O-C-N 123.662 0.601 . . . . 0.0 111.419 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 40.2 p -117.61 150.72 38.55 Favored 'General case' 0 C--O 1.236 0.348 0 O-C-N 123.355 0.409 . . . . 0.0 110.984 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 89.6 m-85 -97.74 157.92 33.85 Favored Pre-proline 0 CA--C 1.539 0.555 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.007 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 6.8 Cg_exo -74.12 -34.44 4.96 Favored 'Trans proline' 0 C--N 1.377 2.054 0 C-N-CA 122.656 2.237 . . . . 0.0 113.182 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 18.9 p -98.09 144.32 27.7 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.18 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -125.8 -42.83 1.89 Allowed 'General case' 0 C--O 1.235 0.312 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.469 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -154.65 83.45 0.15 Allowed Glycine 0 C--N 1.341 0.816 0 O-C-N 123.411 0.445 . . . . 0.0 112.567 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -125.96 137.83 53.72 Favored 'General case' 0 C--O 1.235 0.336 0 C-N-CA 122.299 0.24 . . . . 0.0 111.152 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 54.7 mt-30 -128.62 -43.02 1.42 Allowed 'General case' 0 C--O 1.236 0.368 0 O-C-N 123.634 0.584 . . . . 0.0 111.187 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -130.08 137.3 50.12 Favored 'General case' 0 N--CA 1.465 0.296 0 O-C-N 123.287 0.367 . . . . 0.0 110.91 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 5.7 t -138.32 -43.96 0.5 Allowed 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 115.813 -0.631 . . . . 0.0 111.275 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -129.93 145.96 51.63 Favored 'General case' 0 C--O 1.235 0.338 0 O-C-N 123.518 0.511 . . . . 0.0 110.886 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -99.88 126.32 45.99 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.226 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 11.8 mt -131.57 -42.67 1.03 Allowed 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.135 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 3.2 m -139.5 105.63 7.06 Favored Pre-proline 0 CA--C 1.547 0.833 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.197 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 25.9 Cg_exo -64.11 -34.04 59.24 Favored 'Trans proline' 0 C--N 1.375 1.922 0 C-N-CA 122.637 2.225 . . . . 0.0 113.224 179.552 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 84.1 mtm180 -128.84 133.81 48.11 Favored 'General case' 0 N--CA 1.465 0.278 0 O-C-N 123.392 0.433 . . . . 0.0 110.863 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -100.87 149.87 18.59 Favored Glycine 0 C--N 1.336 0.558 0 O-C-N 123.716 0.635 . . . . 0.0 112.547 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 41.8 p -112.41 146.08 39.01 Favored 'General case' 0 C--O 1.236 0.347 0 C-N-CA 122.318 0.247 . . . . 0.0 110.956 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 149.95 -120.3 1.13 Allowed Glycine 0 C--N 1.337 0.621 0 CA-C-N 115.884 -0.598 . . . . 0.0 112.428 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -99.19 -42.3 7.11 Favored 'General case' 0 N--CA 1.466 0.327 0 C-N-CA 122.319 0.248 . . . . 0.0 111.231 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 166.4 -100.01 0.17 Allowed Glycine 0 C--N 1.34 0.773 0 O-C-N 123.427 0.454 . . . . 0.0 112.469 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -100.55 142.51 31.92 Favored 'General case' 0 N--CA 1.464 0.271 0 C-N-CA 122.341 0.256 . . . . 0.0 110.831 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -118.69 121.55 40.4 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.817 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -132.21 -36.04 1.16 Allowed 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.046 179.799 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -76.87 -29.69 55.92 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.692 179.642 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 15.5 mt -84.67 -27.23 27.23 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.74 179.798 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -74.67 -39.56 61.95 Favored 'General case' 0 N--CA 1.473 0.686 0 O-C-N 123.256 0.347 . . . . 0.0 111.753 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -64.66 -39.53 93.84 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 122.804 0.442 . . . . 0.0 111.591 179.404 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.467 ' O ' HD23 ' A' ' 109' ' ' LEU . 97.1 mttt -78.16 -31.55 49.77 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.502 179.834 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -71.53 -40.1 70.3 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.551 179.191 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -75.86 -36.84 59.44 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.888 179.59 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 74.1 m -70.28 -41.74 73.0 Favored 'General case' 0 N--CA 1.473 0.69 0 O-C-N 123.228 0.33 . . . . 0.0 111.287 179.397 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.467 HD23 ' O ' ' A' ' 105' ' ' LYS . 4.3 mm? -72.31 -33.36 67.32 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.282 179.264 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -69.72 -35.3 74.91 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.881 178.473 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.443 ' O ' ' HD2' ' A' ' 115' ' ' TYR . 66.0 mttm -73.83 -30.69 62.84 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.645 178.685 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.48 ' O ' HD12 ' A' ' 116' ' ' LEU . 38.5 mt-10 -71.43 -38.32 71.37 Favored 'General case' 0 N--CA 1.471 0.623 0 O-C-N 123.57 0.544 . . . . 0.0 111.172 178.711 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 15.6 mt -73.91 -33.22 36.22 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.109 178.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 -70.77 -36.35 73.02 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.147 178.704 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' TYR . . . . . 0.443 ' HD2' ' O ' ' A' ' 111' ' ' LYS . 4.0 m-85 -72.31 -36.04 68.79 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.7 178.875 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.48 HD12 ' O ' ' A' ' 112' ' ' GLU . 1.0 OUTLIER -67.31 -39.83 85.94 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.094 178.62 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 27.1 tttm -70.01 -37.19 75.58 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.99 179.608 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -68.97 -32.53 72.18 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.407 178.787 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 13.0 mt -72.78 -40.12 66.18 Favored 'General case' 0 N--CA 1.471 0.595 0 O-C-N 123.382 0.426 . . . . 0.0 111.525 179.43 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 11.5 mt -72.32 -33.31 45.61 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.215 178.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -73.04 -31.91 64.74 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.574 179.054 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -74.99 -37.2 61.92 Favored 'General case' 0 N--CA 1.471 0.586 0 O-C-N 123.4 0.437 . . . . 0.0 111.313 179.287 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.408 HG22 HH11 ' A' ' 127' ' ' ARG . 9.4 p -72.29 -36.35 55.29 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.907 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.636 179.047 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -71.16 -37.88 72.21 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.338 178.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -73.89 -30.23 62.5 Favored 'General case' 0 N--CA 1.471 0.625 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.778 179.379 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -74.99 -39.1 61.43 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.771 179.516 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' ARG . . . . . 0.432 HH21 ' CG2' ' A' ' 14' ' ' VAL . 10.2 mtp-105 -94.13 129.36 40.73 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.737 179.383 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -142.77 158.4 27.07 Favored Glycine 0 C--N 1.338 0.662 0 CA-C-N 115.957 -0.565 . . . . 0.0 112.818 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 59.0 mttp -129.03 130.78 47.02 Favored 'General case' 0 C--O 1.235 0.301 0 C-N-CA 122.376 0.27 . . . . 0.0 110.725 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -113.2 -41.62 3.67 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.272 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -99.24 130.14 45.52 Favored 'General case' 0 N--CA 1.466 0.36 0 O-C-N 123.412 0.445 . . . . 0.0 110.925 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 3.4 m -104.55 107.28 57.55 Favored Pre-proline 0 CA--C 1.545 0.777 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.318 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_exo . . . . . 0 C--N 1.375 1.962 0 C-N-CA 122.607 2.205 . . . . 0.0 112.916 179.51 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.185 0 CA-C-O 119.193 -0.782 . . . . 0.0 112.541 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 5.5 Cg_exo -75.6 -35.36 2.78 Favored 'Trans proline' 0 C--N 1.369 1.645 0 C-N-CA 123.056 2.504 . . . . 0.0 113.06 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 14.2 t-105 -124.54 125.36 44.07 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.631 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -133.07 -39.85 0.93 Allowed 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.292 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -97.54 152.32 19.13 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.019 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -95.65 119.85 34.88 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.038 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 52.3 m -127.77 -46.02 1.43 Allowed 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.717 179.675 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 68.8 m-70 -130.57 93.49 3.45 Favored 'General case' 0 C--O 1.238 0.477 0 CA-C-O 121.264 0.554 . . . . 0.0 110.099 179.325 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.1 pp -143.42 5.19 0.34 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.574 0 CA-C-N 115.461 -0.79 . . . . 0.0 111.892 -179.534 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.502 ' HB ' ' NH2' ' A' ' 127' ' ' ARG . 4.3 m -88.62 -34.97 7.36 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.947 -179.871 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 52.5 m -89.88 -13.54 36.2 Favored 'General case' 0 CA--C 1.537 0.446 0 O-C-N 123.428 0.455 . . . . 0.0 112.022 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -96.5 -29.01 14.14 Favored 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 112.203 0.446 . . . . 0.0 112.203 -179.63 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -84.41 -22.02 30.58 Favored 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 112.124 0.416 . . . . 0.0 112.124 -179.696 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.4 m -71.72 -37.4 62.55 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 N-CA-C 112.673 0.62 . . . . 0.0 112.673 -179.803 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.402 ' O ' ' HB2' ' A' ' 19' ' ' GLU . . . -59.35 -39.37 94.65 Favored Glycine 0 C--N 1.342 0.916 0 CA-C-N 116.24 -0.436 . . . . 0.0 113.829 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -76.68 -35.58 57.82 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 122.553 0.341 . . . . 0.0 111.489 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.486 ' HD3' ' SD ' ' A' ' 61' ' ' MET . 97.4 mttt -74.39 -34.16 63.23 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.038 179.303 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.423 ' O ' HG22 ' A' ' 21' ' ' ILE . 91.8 m -74.54 -36.21 63.14 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.729 178.852 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.572 ' O ' HG22 ' A' ' 23' ' ' VAL . 9.3 tt0 -70.33 -36.53 74.32 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.988 178.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.53 -38.61 68.0 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.519 179.275 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.423 HG22 ' O ' ' A' ' 18' ' ' CYS . 1.7 tp -72.31 -27.6 26.84 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.816 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.391 178.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -73.19 -43.64 38.51 Favored Glycine 0 C--N 1.348 1.219 0 CA-C-N 115.774 -0.648 . . . . 0.0 112.355 178.791 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.572 HG22 ' O ' ' A' ' 19' ' ' GLU . 2.8 m -71.06 -31.86 46.24 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 CA-C-O 120.63 0.252 . . . . 0.0 111.019 178.81 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 38.0 mttp -73.9 -35.13 64.63 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.929 178.436 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.478 ' O ' ' HB2' ' A' ' 29' ' ' GLU . 2.6 tt -70.01 -37.37 75.65 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 123.057 0.543 . . . . 0.0 111.096 179.231 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.4 mt -73.96 -36.87 64.63 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.467 179.386 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 8.5 t-80 -74.12 -35.85 64.17 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.893 179.202 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.451 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 2.6 tt -74.98 -30.55 61.21 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.809 179.199 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.533 ' O ' HD23 ' A' ' 33' ' ' LEU . 12.4 tt0 -73.97 -38.68 64.1 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.599 179.197 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -69.99 -38.9 76.13 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.812 178.776 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 53.6 mt-30 -74.07 -28.67 61.51 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.52 179.418 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.555 ' O ' ' HB2' ' A' ' 36' ' ' MET . 2.0 tt -75.43 -37.92 60.1 Favored 'General case' 0 N--CA 1.471 0.609 0 O-C-N 123.43 0.457 . . . . 0.0 111.079 179.537 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.533 HD23 ' O ' ' A' ' 29' ' ' GLU . 3.8 mm? -71.54 -39.19 70.87 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.812 179.078 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -71.79 -33.33 63.21 Favored Glycine 0 C--N 1.344 0.995 0 CA-C-N 115.682 -0.69 . . . . 0.0 112.438 178.808 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -81.22 -22.53 38.73 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 122.617 0.367 . . . . 0.0 111.699 178.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.555 ' HB2' ' O ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -79.79 -38.43 33.07 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.415 179.659 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.431 ' HD1' ' O ' ' A' ' 33' ' ' LEU . 33.7 m-85 -81.11 -35.35 31.74 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.962 179.49 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 14.6 t -86.53 -32.36 20.77 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.47 179.686 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 9.2 t-80 61.5 109.85 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 123.901 0.881 . . . . 0.0 111.822 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -143.02 165.38 27.54 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.387 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -93.1 -40.24 10.62 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.492 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.95 -40.23 87.46 Favored 'General case' 0 N--CA 1.473 0.675 0 N-CA-C 112.741 0.645 . . . . 0.0 112.741 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 22.0 mt -71.76 -30.02 65.12 Favored 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 112.271 0.471 . . . . 0.0 112.271 -179.563 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -70.86 -37.14 73.09 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 122.429 0.291 . . . . 0.0 111.473 179.609 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -72.76 -40.16 66.21 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.511 178.821 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 56.2 m -69.08 -37.89 78.7 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.24 178.648 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.472 ' O ' ' HB2' ' A' ' 51' ' ' LEU . 15.5 mt -70.97 -33.67 70.66 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.937 179.407 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -72.65 -39.64 67.0 Favored 'General case' 0 N--CA 1.472 0.674 0 O-C-N 123.382 0.426 . . . . 0.0 111.547 179.654 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -71.57 -37.31 62.11 Favored Glycine 0 C--N 1.343 0.965 0 CA-C-N 116.187 -0.461 . . . . 0.0 112.52 179.097 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -73.04 -35.31 66.71 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 122.963 0.505 . . . . 0.0 110.96 179.174 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.472 ' HB2' ' O ' ' A' ' 47' ' ' LEU . 2.3 tt -71.17 -35.19 71.54 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.017 179.354 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -73.93 -35.0 64.54 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.098 179.006 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 19.2 p -73.16 -34.03 65.82 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.477 178.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.427 HG12 ' O ' ' A' ' 51' ' ' LEU . 6.9 p -75.37 -34.26 29.87 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.862 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.626 179.423 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 44.9 mttm -73.68 -32.93 64.21 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.024 178.698 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -72.75 -38.25 67.44 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.473 178.703 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 12.7 p -71.1 -35.94 71.99 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.184 178.814 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.5 tt -71.24 -36.27 71.75 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.624 179.248 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.439 ' O ' HG13 ' A' ' 62' ' ' ILE . 50.0 mt-30 -69.44 -37.33 77.33 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.962 178.771 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.73 -34.09 73.36 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.186 178.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.486 ' SD ' ' HD3' ' A' ' 17' ' ' LYS . 38.5 mmm -69.9 -41.01 75.26 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 115.815 -0.629 . . . . 0.0 111.602 179.072 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.439 HG13 ' O ' ' A' ' 59' ' ' GLN . 1.7 pp -75.62 -27.26 18.72 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 CA-C-N 116.297 -0.411 . . . . 0.0 112.092 179.628 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 23.4 mt -79.32 -30.73 42.91 Favored 'General case' 0 N--CA 1.471 0.625 0 O-C-N 123.343 0.402 . . . . 0.0 111.274 179.063 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 4.4 tp60 -83.79 -30.27 26.71 Favored 'General case' 0 CA--C 1.537 0.456 0 O-C-N 123.487 0.492 . . . . 0.0 111.119 179.213 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.404 ' O ' ' HD3' ' A' ' 67' ' ' PRO . 16.4 mt -103.23 66.88 0.91 Allowed 'General case' 0 C--O 1.238 0.469 0 CA-C-O 121.412 0.625 . . . . 0.0 110.304 179.664 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -96.11 104.41 16.95 Favored Pre-proline 0 CA--C 1.543 0.693 0 CA-C-N 115.315 -0.857 . . . . 0.0 111.045 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.404 ' HD3' ' O ' ' A' ' 65' ' ' LEU . 14.1 Cg_exo -70.84 156.61 60.19 Favored 'Trans proline' 0 C--N 1.375 1.935 0 C-N-CA 122.555 2.17 . . . . 0.0 112.624 179.293 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 5.5 t -105.49 116.64 32.29 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.143 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -134.79 148.22 50.15 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.792 179.802 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -100.47 141.17 33.7 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.872 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.468 ' HB1' ' OE1' ' A' ' 73' ' ' GLU . . . -100.75 149.45 23.8 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.13 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -117.2 92.3 0.55 Allowed Glycine 0 C--N 1.337 0.636 0 CA-C-N 115.841 -0.618 . . . . 0.0 112.577 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.468 ' OE1' ' HB1' ' A' ' 71' ' ' ALA . 2.2 mp0 -111.3 145.38 38.91 Favored 'General case' 0 C--O 1.234 0.249 0 O-C-N 123.662 0.271 . . . . 0.0 110.797 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -116.5 -42.14 3.03 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.504 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 16.2 t -100.14 144.68 28.88 Favored 'General case' 0 C--O 1.235 0.317 0 O-C-N 123.407 0.442 . . . . 0.0 110.77 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -99.97 -42.21 6.86 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.452 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 54.1 m -100.01 132.0 45.64 Favored 'General case' 0 C--O 1.235 0.319 0 O-C-N 123.409 0.443 . . . . 0.0 110.906 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 36.1 p90 -128.8 158.12 73.33 Favored Pre-proline 0 CA--C 1.544 0.748 0 O-C-N 123.674 0.609 . . . . 0.0 111.019 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 7.5 Cg_exo -74.16 148.45 39.44 Favored 'Trans proline' 0 C--N 1.376 2.007 0 C-N-CA 122.493 2.129 . . . . 0.0 112.721 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 18.9 p -138.18 138.78 38.9 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.057 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -126.02 145.49 50.29 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.125 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -179.67 -141.1 4.42 Favored Glycine 0 C--N 1.338 0.643 0 O-C-N 123.701 0.625 . . . . 0.0 112.427 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -100.6 135.98 41.19 Favored 'General case' 0 C--O 1.235 0.29 0 O-C-N 123.624 0.25 . . . . 0.0 111.063 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -128.66 -42.86 1.42 Allowed 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.299 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -121.73 -42.72 2.4 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.963 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 18.6 p -99.13 137.52 37.53 Favored 'General case' 0 N--CA 1.465 0.29 0 O-C-N 123.394 0.434 . . . . 0.0 111.13 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -103.75 144.49 31.4 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.813 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -101.99 142.98 32.43 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.131 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 5.8 mp -108.12 147.8 30.74 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.87 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 3.2 m -125.4 104.37 28.45 Favored Pre-proline 0 CA--C 1.545 0.781 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.243 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo -65.11 150.76 87.39 Favored 'Trans proline' 0 C--N 1.375 1.955 0 C-N-CA 122.662 2.241 . . . . 0.0 113.028 179.431 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -119.3 -42.85 2.65 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.257 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 112.33 139.1 7.53 Favored Glycine 0 C--N 1.341 0.827 0 O-C-N 123.437 0.461 . . . . 0.0 112.508 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 40.5 p -127.75 146.41 50.59 Favored 'General case' 0 C--O 1.236 0.347 0 O-C-N 123.638 0.258 . . . . 0.0 110.983 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 108.19 159.55 20.16 Favored Glycine 0 C--N 1.337 0.584 0 CA-C-N 115.894 -0.593 . . . . 0.0 112.674 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -98.92 146.39 26.04 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 122.266 0.226 . . . . 0.0 110.844 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -143.68 -164.96 10.6 Favored Glycine 0 C--N 1.337 0.59 0 CA-C-N 115.818 -0.628 . . . . 0.0 112.839 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -125.61 -38.46 2.24 Favored 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 122.359 0.264 . . . . 0.0 111.257 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 42.3 m-80 -93.0 -10.62 35.61 Favored 'General case' 0 N--CA 1.468 0.459 0 O-C-N 123.472 0.483 . . . . 0.0 111.757 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -89.14 -26.65 21.19 Favored 'General case' 0 N--CA 1.47 0.548 0 O-C-N 123.23 0.331 . . . . 0.0 111.697 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -76.84 -29.88 56.09 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 112.248 0.462 . . . . 0.0 112.248 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 12.3 mt -83.85 -26.69 29.27 Favored 'General case' 0 N--CA 1.47 0.56 0 O-C-N 123.463 0.477 . . . . 0.0 111.961 -179.672 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -72.63 -37.93 67.89 Favored 'General case' 0 N--CA 1.473 0.706 0 N-CA-C 112.011 0.375 . . . . 0.0 112.011 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -64.61 -41.38 96.24 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 122.719 0.408 . . . . 0.0 111.603 179.533 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -74.94 -34.27 62.07 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 115.954 -0.567 . . . . 0.0 111.396 179.751 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -71.43 -37.81 71.41 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.707 179.331 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -75.67 -33.22 60.4 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.606 179.522 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 68.8 m -72.89 -38.96 66.77 Favored 'General case' 0 N--CA 1.471 0.595 0 O-C-N 123.293 0.371 . . . . 0.0 111.382 179.125 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 21.3 mt -75.82 -31.68 59.49 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.322 179.541 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.403 ' HA ' HG22 ' A' ' 113' ' ' ILE . . . -73.82 -36.83 64.99 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.347 179.227 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -74.71 -34.69 62.65 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.95 179.148 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.507 ' O ' ' HB2' ' A' ' 116' ' ' LEU . 40.2 mt-10 -73.91 -32.61 63.62 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.591 178.855 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.403 HG22 ' HA ' ' A' ' 110' ' ' ALA . 3.3 tp -77.27 -33.34 19.85 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.761 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.802 179.36 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -73.7 -36.93 65.3 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.884 178.721 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -72.76 -35.95 67.58 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.08 178.735 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.623 ' O ' HG12 ' A' ' 120' ' ' ILE . 0.2 OUTLIER -66.29 -40.23 89.89 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.657 178.828 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -66.06 -44.09 85.52 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.033 179.111 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' ASP . . . . . 0.456 ' O ' ' HB2' ' A' ' 122' ' ' GLU . 10.4 m-20 -68.9 -24.86 64.36 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.99 178.358 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.543 ' O ' HG22 ' A' ' 123' ' ' VAL . 1.2 tt -73.32 -38.9 65.64 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.11 179.288 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 120' ' ' ILE . . . . . 0.623 HG12 ' O ' ' A' ' 116' ' ' LEU . 26.6 mm -71.96 -37.82 62.23 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.11 179.065 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -72.7 -28.36 62.63 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.376 179.075 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' GLU . . . . . 0.456 ' HB2' ' O ' ' A' ' 118' ' ' ASP . 11.3 tt0 -75.93 -39.17 56.69 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.207 179.506 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.543 HG22 ' O ' ' A' ' 119' ' ' LEU . 5.8 m -73.62 -33.37 38.61 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 O-C-N 123.247 0.342 . . . . 0.0 110.946 178.901 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 37.7 ttt180 -70.92 -38.99 72.94 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.835 178.678 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -74.09 -30.45 62.36 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.645 179.119 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -75.0 -37.83 61.73 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 116.202 -0.454 . . . . 0.0 112.131 179.806 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' ARG . . . . . 0.502 ' NH2' ' HB ' ' A' ' 10' ' ' VAL . 17.8 mmm180 -92.22 126.37 37.28 Favored 'General case' 0 N--CA 1.466 0.345 0 O-C-N 123.286 0.366 . . . . 0.0 110.897 179.801 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -168.33 -34.48 0.02 OUTLIER Glycine 0 C--N 1.337 0.596 0 CA-C-N 115.821 -0.627 . . . . 0.0 113.03 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 98.1 mttt 72.01 -43.57 0.57 Allowed 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 124.432 1.093 . . . . 0.0 112.612 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -92.47 -41.34 10.33 Favored 'General case' 0 N--CA 1.469 0.525 0 O-C-N 123.235 0.334 . . . . 0.0 111.31 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 70.86 -51.87 0.68 Allowed 'General case' 0 N--CA 1.487 1.422 0 C-N-CA 124.478 1.111 . . . . 0.0 112.406 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 10.9 p -108.44 135.57 19.98 Favored Pre-proline 0 CA--C 1.553 1.061 0 CA-C-O 119.172 -0.442 . . . . 0.0 110.562 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_exo . . . . . 0 C--N 1.377 2.067 0 C-N-CA 122.474 2.116 . . . . 0.0 112.841 179.603 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.205 0 CA-C-O 119.062 -0.855 . . . . 0.0 112.617 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 7.2 Cg_exo -74.36 -36.32 3.21 Favored 'Trans proline' 0 C--N 1.371 1.759 0 C-N-CA 122.853 2.369 . . . . 0.0 113.035 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 97.8 m95 62.9 125.62 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 123.986 0.915 . . . . 0.0 111.967 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 54.4 tttt -100.75 136.98 39.75 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.701 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -107.38 146.05 32.13 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.819 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -113.99 121.02 42.63 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.193 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 52.1 m -133.83 -42.4 0.83 Allowed 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.237 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 67.8 m-70 -119.88 -22.44 6.78 Favored 'General case' 0 N--CA 1.466 0.374 0 O-C-N 123.48 0.488 . . . . 0.0 111.591 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.477 ' H ' HG13 ' A' ' 9' ' ' ILE . 2.3 pp -89.39 36.79 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 CA-C-O 121.083 0.468 . . . . 0.0 111.681 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 4.3 m -87.45 4.92 3.99 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 CA-C-N 115.751 -0.658 . . . . 0.0 112.238 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 13.9 t -101.91 -16.0 16.67 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.777 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -95.93 -30.73 13.47 Favored 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 112.182 0.438 . . . . 0.0 112.182 -179.52 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -83.32 -22.12 33.0 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 112.378 0.51 . . . . 0.0 112.378 -179.734 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.7 m -71.89 -38.83 66.19 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 N-CA-C 112.533 0.568 . . . . 0.0 112.533 -179.779 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -65.67 -41.47 95.9 Favored Glycine 0 C--N 1.341 0.832 0 O-C-N 123.472 0.483 . . . . 0.0 113.633 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -72.38 -39.43 68.01 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 122.516 0.326 . . . . 0.0 111.323 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.659 ' O ' HG12 ' A' ' 21' ' ' ILE . 96.9 mttt -70.19 -34.84 73.44 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.041 179.436 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 47.4 t -70.95 -36.71 72.69 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.714 178.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.559 ' O ' HG22 ' A' ' 23' ' ' VAL . 41.3 mt-10 -69.83 -31.81 69.88 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.796 178.59 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -71.81 -39.94 69.5 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.314 178.756 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.659 HG12 ' O ' ' A' ' 17' ' ' LYS . 36.4 mm -71.91 -27.58 27.92 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.932 178.62 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -71.73 -44.36 48.54 Favored Glycine 0 C--N 1.346 1.104 0 O-C-N 123.587 0.555 . . . . 0.0 112.554 178.74 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.559 HG22 ' O ' ' A' ' 19' ' ' GLU . 2.9 m -71.22 -33.0 49.24 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 CA-C-O 120.579 0.228 . . . . 0.0 111.332 179.085 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.4 ' O ' ' HB2' ' A' ' 28' ' ' LEU . 96.8 mttt -73.73 -33.69 64.44 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.861 178.796 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.425 ' HB2' ' O ' ' A' ' 21' ' ' ILE . 4.9 tp -70.03 -39.8 75.54 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.937 179.042 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.7 mt -70.01 -40.27 75.33 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.211 179.188 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 6.4 t-80 -70.08 -32.52 70.63 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.609 178.88 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.489 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 4.7 tp -74.76 -29.46 61.14 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.636 178.865 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -72.13 -40.37 68.13 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.515 179.087 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -69.7 -38.08 76.82 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.722 178.616 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 52.7 mt-30 -74.19 -25.21 59.56 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.951 178.701 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.489 ' HB2' ' O ' ' A' ' 28' ' ' LEU . 3.5 tt -74.16 -40.11 62.79 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.722 179.172 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.438 ' O ' ' HD1' ' A' ' 37' ' ' TYR . 4.9 tp -71.15 -39.18 72.1 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.416 179.034 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -72.05 -29.98 66.07 Favored Glycine 0 C--N 1.342 0.897 0 CA-C-N 115.674 -0.693 . . . . 0.0 112.978 179.043 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -81.26 -29.33 34.41 Favored 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 112.004 0.372 . . . . 0.0 112.004 179.581 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 37.6 mtt -80.58 -34.66 35.1 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.438 ' HD1' ' O ' ' A' ' 33' ' ' LEU . 25.4 m-85 -81.21 -38.79 26.43 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 111.96 0.356 . . . . 0.0 111.96 179.716 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 54.9 m -86.69 -8.67 57.22 Favored 'General case' 0 N--CA 1.469 0.516 0 O-C-N 123.398 0.436 . . . . 0.0 112.049 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 29.8 p80 46.37 102.63 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.596 0 C-N-CA 124.678 1.191 . . . . 0.0 113.247 -179.68 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -135.88 160.36 38.84 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.827 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -98.94 -39.92 8.33 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.592 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.84 -33.77 76.34 Favored 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 112.84 0.682 . . . . 0.0 112.84 -179.745 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.568 ' O ' ' HB2' ' A' ' 47' ' ' LEU . 4.8 mt -72.41 -28.5 63.02 Favored 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 -179.72 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -74.95 -36.71 62.1 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 122.401 0.28 . . . . 0.0 111.398 179.32 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 19.6 mm-40 -72.07 -40.92 67.93 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.593 179.228 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 16.1 t -69.15 -35.04 75.92 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.917 178.621 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.568 ' HB2' ' O ' ' A' ' 43' ' ' LEU . 0.2 OUTLIER -70.64 -34.38 72.0 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.389 179.135 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 53.2 mt-30 -71.77 -39.9 69.65 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.28 179.305 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -71.42 -37.8 62.53 Favored Glycine 0 C--N 1.343 0.954 0 CA-C-N 116.129 -0.487 . . . . 0.0 112.642 179.137 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.594 ' O ' HG23 ' A' ' 54' ' ' VAL . 42.3 mt-10 -71.32 -35.9 71.39 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 122.828 0.451 . . . . 0.0 111.071 179.214 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.6 tp -71.38 -35.06 70.95 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.929 179.185 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 11.7 mm100 -72.97 -32.56 65.28 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.196 178.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 18.5 p -73.98 -36.26 64.53 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.602 178.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.594 HG23 ' O ' ' A' ' 50' ' ' GLU . 78.3 t -73.5 -34.25 41.91 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.29 178.882 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -72.07 -36.66 69.63 Favored 'General case' 0 N--CA 1.471 0.625 0 O-C-N 123.389 0.43 . . . . 0.0 111.092 178.874 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -72.82 -32.76 65.74 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.141 178.87 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 16.5 p -73.71 -35.52 65.14 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.171 178.868 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 21.3 mt -71.2 -38.42 72.08 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.894 178.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.451 ' O ' HG13 ' A' ' 62' ' ' ILE . 47.2 mt-30 -69.49 -37.62 77.31 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.69 178.572 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.455 ' O ' ' HB2' ' A' ' 64' ' ' GLN . . . -69.89 -30.66 68.15 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.049 178.834 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.432 ' O ' HD12 ' A' ' 65' ' ' LEU . 82.8 mtp -71.64 -43.69 65.68 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.324 178.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.451 HG13 ' O ' ' A' ' 59' ' ' GLN . 1.4 pt -75.22 -22.88 16.87 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.687 179.427 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.406 ' HA ' ' NZ ' ' A' ' 69' ' ' LYS . 2.8 tt -86.72 -25.39 24.76 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.18 179.157 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.455 ' HB2' ' O ' ' A' ' 60' ' ' ALA . 3.8 tp60 -89.4 -26.92 20.76 Favored 'General case' 0 CA--C 1.539 0.521 0 O-C-N 123.362 0.413 . . . . 0.0 111.47 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.553 ' O ' ' HD3' ' A' ' 67' ' ' PRO . 6.7 mt -79.28 -32.63 43.66 Favored 'General case' 0 N--CA 1.471 0.612 0 N-CA-C 111.905 0.335 . . . . 0.0 111.905 179.808 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -97.47 98.41 5.0 Favored Pre-proline 0 CA--C 1.544 0.746 0 O-C-N 123.407 0.442 . . . . 0.0 110.676 179.704 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.553 ' HD3' ' O ' ' A' ' 65' ' ' LEU . 8.0 Cg_exo -73.52 151.37 47.32 Favored 'Trans proline' 0 C--N 1.374 1.901 0 C-N-CA 122.593 2.196 . . . . 0.0 112.888 179.691 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 40.6 p 52.03 107.72 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.302 0 C-N-CA 124.348 1.059 . . . . 0.0 112.947 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.406 ' NZ ' ' HA ' ' A' ' 63' ' ' LEU . 96.7 mttt -127.0 131.01 51.12 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.728 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -99.88 128.89 45.93 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.837 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -127.32 131.13 50.49 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.074 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 144.33 91.0 0.12 Allowed Glycine 0 C--N 1.337 0.619 0 O-C-N 123.635 0.584 . . . . 0.0 112.548 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -100.41 144.96 28.8 Favored 'General case' 0 C--O 1.235 0.294 0 C-N-CA 122.296 0.238 . . . . 0.0 110.867 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -99.64 143.83 29.42 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.225 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 52.4 m -98.95 144.18 28.41 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.85 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -116.24 -43.68 2.94 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.492 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 52.4 m 63.87 139.84 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 123.96 0.904 . . . . 0.0 112.246 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.439 ' CD2' ' HA3' ' A' ' 82' ' ' GLY . 89.7 m-85 -98.52 158.08 33.19 Favored Pre-proline 0 CA--C 1.54 0.589 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.961 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -75.89 -42.78 0.38 Allowed 'Trans proline' 0 C--N 1.376 2.017 0 C-N-CA 122.556 2.171 . . . . 0.0 113.019 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 17.5 p -142.44 -47.94 0.34 Allowed 'General case' 0 N--CA 1.467 0.392 0 O-C-N 123.314 0.384 . . . . 0.0 111.366 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -118.96 147.58 43.9 Favored 'General case' 0 C--O 1.235 0.334 0 O-C-N 123.383 0.427 . . . . 0.0 111.201 -179.759 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.439 ' HA3' ' CD2' ' A' ' 78' ' ' TYR . . . -167.14 -118.47 0.44 Allowed Glycine 0 C--N 1.337 0.623 0 CA-C-N 115.741 -0.663 . . . . 0.0 112.415 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -126.5 -42.42 1.81 Allowed 'General case' 0 C--O 1.236 0.381 0 O-C-N 123.637 0.257 . . . . 0.0 111.43 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 54.8 mt-30 -105.61 139.53 40.07 Favored 'General case' 0 N--CA 1.465 0.301 0 O-C-N 123.35 0.406 . . . . 0.0 110.796 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -129.48 146.61 51.3 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.828 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 18.7 p -125.05 145.61 49.83 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.138 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -103.44 146.56 28.32 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.923 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -108.25 -43.13 4.43 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.543 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 11.0 mt -103.66 139.81 38.43 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.836 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 3.9 m -138.79 157.51 71.69 Favored Pre-proline 0 CA--C 1.544 0.713 0 O-C-N 123.584 0.553 . . . . 0.0 111.41 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_exo -79.04 152.16 24.3 Favored 'Trans proline' 0 C--N 1.376 2.024 0 C-N-CA 122.649 2.233 . . . . 0.0 112.861 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 86.3 mtt180 -133.44 131.92 40.5 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.828 179.65 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -147.71 -141.69 3.56 Favored Glycine 0 C--N 1.336 0.556 0 CA-C-N 115.979 -0.555 . . . . 0.0 112.645 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 53.1 m -100.02 147.46 25.59 Favored 'General case' 0 C--O 1.235 0.319 0 O-C-N 123.594 0.232 . . . . 0.0 111.039 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -121.63 61.84 0.53 Allowed Glycine 0 C--N 1.336 0.556 0 CA-C-N 115.888 -0.596 . . . . 0.0 112.546 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 87.7 m-85 -128.19 144.51 51.13 Favored 'General case' 0 C--O 1.235 0.299 0 C-N-CA 122.249 0.22 . . . . 0.0 110.824 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' GLY . . . . . 0.557 ' HA3' ' OE2' ' A' ' 100' ' ' GLU . . . 156.44 154.01 6.84 Favored Glycine 0 C--N 1.338 0.661 0 CA-C-N 115.874 -0.603 . . . . 0.0 112.592 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 59.2 mttp -101.69 154.59 18.75 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 120.675 0.274 . . . . 0.0 111.018 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 64.92 13.19 8.41 Favored 'General case' 0 N--CA 1.488 1.441 0 C-N-CA 124.001 0.92 . . . . 0.0 112.429 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.557 ' OE2' ' HA3' ' A' ' 97' ' ' GLY . 41.1 mt-10 -96.81 -26.9 14.95 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.452 179.727 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -76.77 -29.74 56.2 Favored 'General case' 0 N--CA 1.47 0.547 0 O-C-N 123.425 0.453 . . . . 0.0 111.973 179.66 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 11.1 mt -79.69 -26.64 40.86 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 116.001 -0.545 . . . . 0.0 112.018 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -70.86 -39.19 73.04 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 122.669 0.388 . . . . 0.0 111.979 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -64.68 -40.36 95.26 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 122.79 0.436 . . . . 0.0 111.728 179.794 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -77.23 -30.65 54.65 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.548 179.814 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -71.77 -39.22 70.1 Favored 'General case' 0 N--CA 1.47 0.562 0 O-C-N 123.474 0.484 . . . . 0.0 111.66 179.203 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -75.78 -37.63 59.03 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 115.855 -0.612 . . . . 0.0 111.606 179.468 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 68.0 m -70.54 -37.46 74.07 Favored 'General case' 0 N--CA 1.47 0.572 0 O-C-N 123.221 0.326 . . . . 0.0 111.288 179.313 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 4.7 tp -73.25 -36.78 66.45 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.878 179.313 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.414 ' O ' ' HB2' ' A' ' 114' ' ' GLN . . . -71.3 -30.94 66.85 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.261 179.075 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 55.5 mttp -77.22 -32.22 55.75 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.794 178.767 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -73.45 -35.13 65.71 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.425 178.777 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 24.7 mt -77.95 -32.93 17.91 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 N-CA-C 109.776 -0.454 . . . . 0.0 109.776 178.535 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' GLN . . . . . 0.414 ' HB2' ' O ' ' A' ' 110' ' ' ALA . 14.7 tt0 -67.85 -37.87 82.41 Favored 'General case' 0 N--CA 1.469 0.512 0 O-C-N 123.453 0.471 . . . . 0.0 110.191 178.383 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 12.1 t80 -73.6 -35.83 65.42 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.936 178.488 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.605 ' O ' HG12 ' A' ' 120' ' ' ILE . 10.1 tp -67.24 -36.88 82.57 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.7 178.74 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 62.4 mttm -69.19 -43.35 74.34 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.714 178.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -68.68 -25.01 64.58 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.639 178.054 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.582 ' O ' HG22 ' A' ' 123' ' ' VAL . 2.3 tt -71.5 -42.79 67.57 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.563 179.011 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 120' ' ' ILE . . . . . 0.605 HG12 ' O ' ' A' ' 116' ' ' LEU . 26.2 mm -69.21 -34.41 63.01 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.182 178.906 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -72.49 -30.99 65.01 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.5 179.113 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -74.57 -37.47 62.94 Favored 'General case' 0 N--CA 1.471 0.611 0 O-C-N 123.346 0.404 . . . . 0.0 111.603 179.435 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.582 HG22 ' O ' ' A' ' 119' ' ' LEU . 2.5 m -74.6 -33.13 31.22 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 O-C-N 123.261 0.351 . . . . 0.0 111.063 178.609 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -70.8 -38.31 73.34 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.321 178.534 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -74.1 -38.01 63.99 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.898 179.769 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -75.43 -41.64 55.4 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 116.157 -0.474 . . . . 0.0 112.2 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' ARG . . . . . 0.466 ' CZ ' HD13 ' A' ' 65' ' ' LEU . 76.2 mtt180 -103.58 129.74 50.88 Favored 'General case' 0 C--O 1.235 0.314 0 O-C-N 123.387 0.429 . . . . 0.0 111.053 -179.861 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 136.52 89.47 0.26 Allowed Glycine 0 C--N 1.338 0.662 0 CA-C-N 115.873 -0.603 . . . . 0.0 112.486 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -100.59 144.63 29.34 Favored 'General case' 0 C--O 1.235 0.339 0 C-N-CA 122.274 0.229 . . . . 0.0 110.95 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -103.64 145.78 29.55 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.881 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 71.9 mtp180 -116.03 138.37 51.28 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.813 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 3.1 m -137.12 98.8 10.19 Favored Pre-proline 0 CA--C 1.547 0.841 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.312 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_exo . . . . . 0 C--N 1.374 1.911 0 C-N-CA 122.683 2.256 . . . . 0.0 112.712 179.459 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.15 0 CA-C-O 119.213 -0.77 . . . . 0.0 112.542 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo -75.82 137.3 19.79 Favored 'Trans proline' 0 C--N 1.37 1.702 0 C-N-CA 122.989 2.46 . . . . 0.0 112.794 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 96.1 m95 63.09 126.32 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 123.858 0.863 . . . . 0.0 112.049 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 52.1 tttt -115.05 139.4 49.9 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.571 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -129.95 -36.73 1.55 Allowed 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.305 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 61.23 110.28 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 123.98 0.912 . . . . 0.0 111.883 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 16.4 t -138.19 -44.12 0.51 Allowed 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.068 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 62.2 m80 -122.69 -16.17 7.27 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.732 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.1 pp -90.12 87.87 2.78 Favored 'Isoleucine or valine' 0 C--O 1.238 0.464 0 CA-C-O 121.258 0.551 . . . . 0.0 111.244 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.454 ' O ' HG22 ' A' ' 14' ' ' VAL . 3.2 m -146.44 -34.88 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.665 0 CA-C-N 115.229 -0.896 . . . . 0.0 111.382 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 14.2 t -83.88 -15.88 46.46 Favored 'General case' 0 N--CA 1.469 0.489 0 O-C-N 123.542 0.526 . . . . 0.0 111.77 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -97.2 -17.44 19.87 Favored 'General case' 0 CA--C 1.533 0.311 0 O-C-N 123.318 0.386 . . . . 0.0 111.927 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -90.57 -25.7 20.07 Favored 'General case' 0 N--CA 1.47 0.555 0 O-C-N 123.232 0.332 . . . . 0.0 111.779 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.454 HG22 ' O ' ' A' ' 10' ' ' VAL . 2.5 m -77.26 -38.41 27.05 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 N-CA-C 112.216 0.45 . . . . 0.0 112.216 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -62.73 -34.92 91.07 Favored Glycine 0 C--N 1.342 0.907 0 O-C-N 123.556 0.535 . . . . 0.0 113.704 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -75.89 -33.88 59.95 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 122.534 0.334 . . . . 0.0 111.211 179.419 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -74.81 -33.96 62.29 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.789 178.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 49.2 t -72.53 -39.14 67.77 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.793 178.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.561 ' O ' HG22 ' A' ' 23' ' ' VAL . 42.0 mt-10 -70.22 -36.6 74.65 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.718 179.105 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -71.98 -39.18 69.48 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.593 179.656 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.627 HD11 HG13 ' A' ' 54' ' ' VAL . 4.0 tp -72.91 -27.5 24.99 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.802 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.293 178.757 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -70.01 -44.91 59.42 Favored Glycine 0 C--N 1.349 1.265 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.918 178.198 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.561 HG22 ' O ' ' A' ' 19' ' ' GLU . 2.6 m -71.26 -29.19 34.98 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 CA-C-O 120.691 0.282 . . . . 0.0 110.778 178.422 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.413 ' O ' ' HB2' ' A' ' 28' ' ' LEU . 40.4 tttt -74.37 -34.42 63.36 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.5 178.387 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 6.5 tp -70.08 -39.22 75.71 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.115 179.228 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.6 mt -71.76 -38.73 70.34 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.287 179.142 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 3.9 t60 -71.72 -33.9 69.13 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.736 179.15 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.517 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 2.7 tt -75.08 -30.22 60.87 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.71 179.028 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -71.01 -42.06 70.09 Favored 'General case' 0 N--CA 1.47 0.541 0 O-C-N 123.473 0.483 . . . . 0.0 110.59 179.251 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -68.94 -38.68 79.62 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.272 178.611 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 12.4 tt0 -74.4 -21.74 59.5 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.76 178.641 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.517 ' HB2' ' O ' ' A' ' 28' ' ' LEU . 3.9 tt -75.18 -42.83 55.0 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 122.944 0.498 . . . . 0.0 110.586 179.27 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 11.5 mt -71.84 -36.19 70.09 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.613 178.692 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -72.0 -31.76 64.04 Favored Glycine 0 C--N 1.345 1.057 0 CA-C-N 115.536 -0.757 . . . . 0.0 112.67 178.764 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -81.1 -27.67 35.51 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 122.521 0.328 . . . . 0.0 111.519 179.176 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 80.8 mtp -80.26 -30.33 38.43 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.712 179.558 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 10.6 t80 -78.68 -39.27 37.18 Favored 'General case' 0 N--CA 1.469 0.5 0 O-C-N 123.397 0.436 . . . . 0.0 111.463 179.656 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 74.8 p -86.73 -11.31 51.51 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 116.131 -0.486 . . . . 0.0 112.084 179.749 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 30.7 p80 46.94 102.84 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.478 0 C-N-CA 124.755 1.222 . . . . 0.0 113.116 -179.585 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -134.27 159.69 40.2 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.987 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -97.01 -37.62 10.1 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.493 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.79 -38.27 86.2 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.012 0.525 . . . . 0.0 112.413 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.468 ' O ' ' HB2' ' A' ' 47' ' ' LEU . 8.2 mt -70.68 -28.33 64.7 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 115.993 -0.549 . . . . 0.0 112.099 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -72.62 -37.78 67.96 Favored 'General case' 0 N--CA 1.472 0.634 0 O-C-N 123.306 0.378 . . . . 0.0 111.085 179.507 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 54.8 mt-30 -71.51 -40.95 69.81 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.7 179.22 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 55.6 m -68.95 -34.62 75.65 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.89 178.596 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.468 ' HB2' ' O ' ' A' ' 43' ' ' LEU . 1.8 tt -70.74 -33.96 71.37 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.176 179.121 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 54.0 mt-30 -71.3 -39.46 71.46 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.26 179.135 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -70.51 -35.98 68.44 Favored Glycine 0 C--N 1.345 1.03 0 CA-C-N 115.916 -0.584 . . . . 0.0 112.428 178.803 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.553 ' O ' HG23 ' A' ' 54' ' ' VAL . 43.8 mt-10 -72.09 -35.73 69.29 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 122.867 0.467 . . . . 0.0 110.929 179.039 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.2 tt -69.39 -36.33 76.67 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.668 179.017 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -71.32 -35.27 71.17 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.109 178.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 18.3 p -72.38 -32.01 66.06 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.469 178.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.627 HG13 HD11 ' A' ' 21' ' ' ILE . 74.7 t -74.43 -34.48 36.28 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.209 178.676 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 81.0 mttt -71.42 -36.41 71.31 Favored 'General case' 0 N--CA 1.472 0.626 0 O-C-N 123.407 0.442 . . . . 0.0 111.103 178.574 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -72.66 -35.31 67.7 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.181 179.009 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 18.8 p -73.42 -31.98 64.15 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.078 178.861 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.6 mt -71.98 -39.97 68.93 Favored 'General case' 0 C--N 1.345 0.392 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.035 178.855 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -69.55 -37.89 77.24 Favored 'General case' 0 N--CA 1.472 0.627 0 O-C-N 123.556 0.535 . . . . 0.0 110.936 178.844 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.489 ' O ' ' HB2' ' A' ' 64' ' ' GLN . . . -70.11 -32.02 69.85 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.238 178.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.558 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 9.9 ttt -71.16 -43.45 67.49 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.229 179.481 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 2.2 pp -75.54 -24.65 17.25 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.846 0 O-C-N 123.346 0.404 . . . . 0.0 111.726 179.514 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.7 tp -84.48 -24.3 29.51 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.057 179.174 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.489 ' HB2' ' O ' ' A' ' 60' ' ' ALA . 5.1 tt0 -85.07 -36.07 21.44 Favored 'General case' 0 N--CA 1.468 0.459 0 O-C-N 123.405 0.441 . . . . 0.0 111.301 179.488 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.558 ' HG ' ' O ' ' A' ' 61' ' ' MET . 0.8 OUTLIER -131.59 81.7 1.99 Allowed 'General case' 0 CA--C 1.536 0.44 0 CA-C-O 121.461 0.648 . . . . 0.0 110.723 179.803 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -115.22 137.83 23.23 Favored Pre-proline 0 CA--C 1.541 0.605 0 CA-C-N 115.102 -0.954 . . . . 0.0 110.485 179.751 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_exo -61.61 150.52 85.14 Favored 'Trans proline' 0 C--N 1.376 2.006 0 C-N-CA 122.47 2.113 . . . . 0.0 113.087 179.582 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 19.2 p -100.42 -43.03 6.37 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.497 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 98.0 mttt 64.46 132.91 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 123.906 0.883 . . . . 0.0 112.064 -179.815 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -96.92 -39.59 9.31 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.438 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -96.02 138.15 34.07 Favored 'General case' 0 N--CA 1.464 0.262 0 O-C-N 123.406 0.441 . . . . 0.0 111.308 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -137.78 154.46 22.66 Favored Glycine 0 C--N 1.337 0.616 0 CA-C-N 115.805 -0.634 . . . . 0.0 112.609 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -121.94 -39.2 2.63 Favored 'General case' 0 N--CA 1.466 0.367 0 O-C-N 123.624 0.249 . . . . 0.0 111.324 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -95.04 151.8 18.88 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.361 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 44.9 p -94.83 -40.04 9.94 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.485 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -97.26 130.61 44.44 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.208 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 16.1 t -126.17 -41.75 1.9 Allowed 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.124 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 91.2 m-85 -97.51 108.95 48.09 Favored Pre-proline 0 CA--C 1.541 0.611 0 O-C-N 123.411 0.445 . . . . 0.0 110.874 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 21.6 Cg_exo -66.74 145.1 74.23 Favored 'Trans proline' 0 C--N 1.375 1.963 0 C-N-CA 122.655 2.237 . . . . 0.0 112.973 179.429 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 18.8 p -103.0 125.84 49.93 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.097 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -125.57 146.56 49.63 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.124 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -100.31 148.51 18.41 Favored Glycine 0 C--N 1.336 0.544 0 O-C-N 123.629 0.581 . . . . 0.0 112.536 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -126.11 132.11 51.95 Favored 'General case' 0 C--O 1.234 0.265 0 C-N-CA 122.314 0.245 . . . . 0.0 111.128 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -128.72 -42.11 1.45 Allowed 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.211 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -99.97 142.24 31.7 Favored 'General case' 0 C--O 1.235 0.337 0 O-C-N 123.361 0.413 . . . . 0.0 110.918 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 19.7 p -100.42 -46.36 5.26 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 115.976 -0.557 . . . . 0.0 111.4 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -109.96 133.27 53.36 Favored 'General case' 0 C--O 1.235 0.315 0 O-C-N 123.466 0.478 . . . . 0.0 110.906 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -125.69 -44.22 1.83 Allowed 'General case' 0 C--O 1.235 0.336 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.369 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 5.8 mp -105.4 146.0 30.04 Favored 'General case' 0 C--O 1.235 0.319 0 O-C-N 123.37 0.419 . . . . 0.0 110.906 179.725 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 4.2 m -129.32 158.86 71.82 Favored Pre-proline 0 CA--C 1.545 0.769 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.242 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 4.0 Cg_exo -75.9 131.47 13.31 Favored 'Trans proline' 0 C--N 1.376 2.007 0 C-N-CA 122.529 2.153 . . . . 0.0 112.713 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 62.32 125.93 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 123.91 0.884 . . . . 0.0 112.17 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 115.61 52.15 0.4 Allowed Glycine 0 C--N 1.336 0.575 0 CA-C-N 115.741 -0.663 . . . . 0.0 112.617 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 52.5 m -130.37 -42.21 1.2 Allowed 'General case' 0 N--CA 1.465 0.281 0 C-N-CA 122.39 0.276 . . . . 0.0 111.287 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 154.01 -67.94 0.31 Allowed Glycine 0 C--N 1.341 0.854 0 O-C-N 123.453 0.471 . . . . 0.0 112.558 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 63.09 126.17 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 123.97 0.908 . . . . 0.0 112.067 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -132.5 -153.44 7.3 Favored Glycine 0 C--N 1.337 0.607 0 CA-C-N 115.806 -0.634 . . . . 0.0 112.521 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.407 ' O ' HD12 ' A' ' 102' ' ' LEU . 97.2 mttt -129.3 -38.26 1.59 Allowed 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 122.372 0.269 . . . . 0.0 111.348 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 41.9 m-80 -92.18 -28.79 16.83 Favored 'General case' 0 N--CA 1.468 0.466 0 O-C-N 123.5 0.5 . . . . 0.0 111.643 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -90.28 -19.81 23.67 Favored 'General case' 0 N--CA 1.469 0.509 0 O-C-N 123.366 0.416 . . . . 0.0 111.755 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -76.97 -31.0 56.25 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 112.128 0.418 . . . . 0.0 112.128 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.407 HD12 ' O ' ' A' ' 98' ' ' LYS . 13.4 mt -86.32 -29.86 22.69 Favored 'General case' 0 N--CA 1.47 0.565 0 O-C-N 123.397 0.435 . . . . 0.0 111.734 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -72.98 -43.44 62.22 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 122.546 0.338 . . . . 0.0 111.541 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -64.83 -37.82 88.92 Favored 'General case' 0 N--CA 1.474 0.772 0 O-C-N 123.465 0.478 . . . . 0.0 111.526 179.246 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -74.29 -34.25 63.48 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.569 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -69.71 -37.89 76.72 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.647 179.372 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -75.72 -34.49 60.35 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.346 179.442 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 70.6 m -70.63 -40.09 73.33 Favored 'General case' 0 N--CA 1.471 0.58 0 O-C-N 123.32 0.388 . . . . 0.0 111.187 179.07 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 23.8 mt -71.36 -37.49 71.64 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.135 179.278 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -69.59 -33.16 72.31 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.183 179.024 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.456 ' O ' ' HB2' ' A' ' 115' ' ' TYR . 92.8 mttt -75.61 -29.86 59.38 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.881 178.829 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -73.49 -37.41 65.73 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.48 178.738 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 13.9 mt -74.66 -36.61 41.12 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.222 179.178 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 53.8 mt-30 -71.87 -32.97 68.0 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.933 178.765 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' TYR . . . . . 0.456 ' HB2' ' O ' ' A' ' 111' ' ' LYS . 9.0 t80 -72.78 -37.35 67.64 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.563 179.171 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.674 ' O ' HG12 ' A' ' 120' ' ' ILE . 16.1 mt -67.74 -38.79 83.98 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.751 178.548 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -66.44 -41.42 89.15 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.145 179.122 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' ASP . . . . . 0.437 ' O ' ' HB2' ' A' ' 122' ' ' GLU . 20.0 m-20 -68.97 -29.32 67.51 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.519 178.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 18.1 mt -74.36 -35.39 63.54 Favored 'General case' 0 N--CA 1.47 0.561 0 O-C-N 123.429 0.455 . . . . 0.0 111.775 179.126 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' ILE . . . . . 0.674 HG12 ' O ' ' A' ' 116' ' ' LEU . 32.3 mm -74.05 -37.5 47.14 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 O-C-N 123.211 0.319 . . . . 0.0 110.533 179.229 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -73.06 -33.54 65.71 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.517 179.117 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' GLU . . . . . 0.437 ' HB2' ' O ' ' A' ' 118' ' ' ASP . 3.0 tp10 -76.19 -33.65 59.31 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.421 179.81 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 9.9 p -77.79 -33.42 18.76 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.754 0 O-C-N 123.409 0.443 . . . . 0.0 110.437 178.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' ARG . . . . . 0.414 ' HB2' ' O ' ' A' ' 120' ' ' ILE . 35.8 ttt180 -71.17 -37.91 72.18 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.987 178.802 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -74.09 -41.46 61.65 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.853 179.616 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -75.72 -59.31 2.81 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 116.228 -0.442 . . . . 0.0 112.022 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 67.13 -58.33 0.41 Allowed 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 124.391 1.077 . . . . 0.0 112.693 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 130.03 95.69 0.75 Allowed Glycine 0 C--N 1.341 0.846 0 C-N-CA 121.563 -0.351 . . . . 0.0 112.363 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.487 ' HB3' ' O ' ' A' ' 132' ' ' VAL . 97.2 mttt -98.03 136.93 37.58 Favored 'General case' 0 C--O 1.235 0.326 0 C-N-CA 122.386 0.274 . . . . 0.0 111.077 -179.858 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -130.47 -41.11 1.23 Allowed 'General case' 0 N--CA 1.466 0.335 0 O-C-N 123.662 0.601 . . . . 0.0 111.293 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 76.8 mtp180 -96.94 -41.94 8.16 Favored 'General case' 0 N--CA 1.469 0.478 0 O-C-N 123.49 0.494 . . . . 0.0 111.333 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 132' ' ' VAL . . . . . 0.487 ' O ' ' HB3' ' A' ' 129' ' ' LYS . 10.8 p -97.65 135.45 21.63 Favored Pre-proline 0 CA--C 1.553 1.088 0 O-C-N 123.46 0.475 . . . . 0.0 110.554 -179.85 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 13.4 Cg_exo . . . . . 0 C--N 1.376 1.976 0 C-N-CA 122.586 2.19 . . . . 0.0 112.845 179.614 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.159 0 CA-C-O 119.327 -0.707 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 4.2 Cg_exo -75.83 -35.38 2.61 Favored 'Trans proline' 0 C--N 1.37 1.659 0 C-N-CA 123.085 2.523 . . . . 0.0 113.105 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' TRP . . . . . 0.401 ' HD1' ' O ' ' A' ' 5' ' ' GLU . 10.8 t-105 -123.62 151.19 43.28 Favored 'General case' 0 C--O 1.234 0.282 0 O-C-N 123.361 0.413 . . . . 0.0 110.747 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -96.16 -31.77 12.82 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.595 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.401 ' O ' ' HD1' ' A' ' 3' ' ' TRP . 43.2 mt-10 -90.22 149.71 22.28 Favored 'General case' 0 N--CA 1.469 0.475 0 O-C-N 123.391 0.432 . . . . 0.0 111.152 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -98.82 109.98 22.66 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.169 -179.753 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 36.3 p -143.0 146.31 33.74 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.892 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 66.8 m80 55.35 30.07 14.18 Favored 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 123.812 0.845 . . . . 0.0 112.626 179.748 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.421 ' H ' HG13 ' A' ' 9' ' ' ILE . 2.3 pp -93.15 13.74 2.31 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.648 0 CA-C-N 115.995 -0.548 . . . . 0.0 112.057 -179.823 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 4.0 m -89.81 -30.67 5.12 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 53.4 m -92.36 -14.38 28.78 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.927 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -95.41 -24.59 16.63 Favored 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 -179.635 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -86.57 -22.08 26.48 Favored 'General case' 0 N--CA 1.471 0.581 0 N-CA-C 112.172 0.434 . . . . 0.0 112.172 -179.697 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.7 m -71.18 -39.82 73.9 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 N-CA-C 112.619 0.6 . . . . 0.0 112.619 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -64.68 -42.39 97.27 Favored Glycine 0 C--N 1.343 0.918 0 CA-C-N 116.192 -0.458 . . . . 0.0 113.645 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -73.11 -38.04 66.48 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 122.535 0.334 . . . . 0.0 111.471 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.653 ' O ' HG12 ' A' ' 21' ' ' ILE . 95.9 mttt -70.85 -35.47 72.42 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.223 179.352 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 66.0 m -71.28 -36.47 71.7 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.685 178.695 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.565 ' O ' HG22 ' A' ' 23' ' ' VAL . 41.1 mt-10 -69.89 -31.57 69.44 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.789 178.376 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.13 -39.74 68.58 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.397 178.775 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.653 HG12 ' O ' ' A' ' 17' ' ' LYS . 39.9 mm -72.29 -27.63 26.97 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.775 0 CA-C-N 116.166 -0.47 . . . . 0.0 109.898 178.619 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -71.59 -44.09 50.59 Favored Glycine 0 C--N 1.348 1.197 0 CA-C-N 115.967 -0.56 . . . . 0.0 112.305 178.788 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.565 HG22 ' O ' ' A' ' 19' ' ' GLU . 3.0 m -71.32 -33.18 49.45 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 CA-C-O 120.562 0.22 . . . . 0.0 111.276 179.043 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.441 ' O ' ' HB2' ' A' ' 28' ' ' LEU . 96.7 mttt -73.25 -33.75 65.47 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.928 178.789 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.43 ' HB2' ' O ' ' A' ' 21' ' ' ILE . 4.7 tp -70.13 -40.35 74.88 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.169 179.124 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.4 mt -69.31 -43.42 73.81 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.284 179.539 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.638 ' O ' ' HG2' ' A' ' 31' ' ' GLN . 31.2 m80 -67.97 -31.95 72.03 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.057 178.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.478 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 4.8 tp -71.9 -34.49 69.17 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.559 178.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.424 ' HG3' ' O ' ' A' ' 25' ' ' LEU . 42.8 mt-10 -69.99 -36.17 74.95 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.901 178.794 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -68.05 -44.85 75.45 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.224 178.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.638 ' HG2' ' O ' ' A' ' 27' ' ' HIS . 8.5 pt20 -74.39 -21.56 59.59 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.462 179.063 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.478 ' HB2' ' O ' ' A' ' 28' ' ' LEU . 4.0 tt -72.68 -44.89 61.21 Favored 'General case' 0 N--CA 1.471 0.584 0 O-C-N 123.427 0.454 . . . . 0.0 110.68 179.079 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.3 mp -71.19 -35.72 71.67 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.597 178.678 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -72.08 -30.63 65.09 Favored Glycine 0 C--N 1.345 1.028 0 CA-C-N 115.73 -0.668 . . . . 0.0 112.889 178.592 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -81.25 -29.01 34.52 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 111.903 0.334 . . . . 0.0 111.903 179.539 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 47.0 mtt -80.8 -34.42 34.05 Favored 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 111.929 0.344 . . . . 0.0 111.929 179.794 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 8.9 t80 -81.21 -43.43 19.28 Favored 'General case' 0 N--CA 1.469 0.482 0 O-C-N 123.303 0.377 . . . . 0.0 111.646 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 53.2 m -86.78 -18.13 31.82 Favored 'General case' 0 N--CA 1.469 0.516 0 O-C-N 123.584 0.552 . . . . 0.0 112.307 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 72.1 m-70 62.29 108.98 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 123.762 0.825 . . . . 0.0 111.631 -179.623 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.408 ' CB ' HD12 ' A' ' 43' ' ' LEU . 7.6 m-20 -139.99 157.11 46.19 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.048 -179.653 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -103.79 -40.19 6.35 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.446 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.86 -37.02 83.64 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 112.523 0.564 . . . . 0.0 112.523 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.463 ' O ' ' HB2' ' A' ' 47' ' ' LEU . 11.7 mt -70.9 -28.42 64.52 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 115.997 -0.547 . . . . 0.0 112.038 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -73.76 -37.36 65.05 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 122.646 0.378 . . . . 0.0 111.183 179.424 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 13.9 tt0 -71.13 -41.47 70.45 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.59 179.281 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 42.2 p -69.1 -34.47 75.15 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.105 178.706 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.463 ' HB2' ' O ' ' A' ' 43' ' ' LEU . 2.2 tt -70.77 -34.47 71.84 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.316 179.24 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 54.0 mt-30 -72.51 -39.88 67.27 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 116.059 -0.518 . . . . 0.0 111.648 179.516 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -71.61 -36.89 62.11 Favored Glycine 0 C--N 1.343 0.946 0 CA-C-N 116.096 -0.502 . . . . 0.0 112.789 179.296 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -73.45 -35.38 65.75 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 122.88 0.472 . . . . 0.0 111.342 179.403 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.429 ' O ' HG12 ' A' ' 54' ' ' VAL . 2.6 tt -72.23 -36.39 69.1 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.267 179.535 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -73.81 -35.21 64.85 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.115 179.191 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 18.1 p -73.44 -33.76 65.08 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.532 178.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.429 HG12 ' O ' ' A' ' 51' ' ' LEU . 6.9 p -74.96 -34.24 31.99 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.747 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.613 179.366 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 75.8 mttt -72.53 -35.63 68.12 Favored 'General case' 0 N--CA 1.47 0.542 0 O-C-N 123.466 0.479 . . . . 0.0 111.052 178.759 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -72.67 -34.82 67.48 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.082 178.823 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 16.3 p -72.64 -36.0 67.9 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.399 179.007 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 24.5 mt -71.95 -36.49 69.89 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.957 179.056 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.452 ' O ' ' HB2' ' A' ' 63' ' ' LEU . 46.5 mt-30 -69.47 -37.92 77.48 Favored 'General case' 0 N--CA 1.472 0.642 0 O-C-N 123.515 0.51 . . . . 0.0 110.826 178.558 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.505 ' O ' ' HG2' ' A' ' 64' ' ' GLN . . . -69.42 -33.47 73.03 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.926 178.847 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 24.8 mmm -67.93 -45.19 75.0 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.525 179.035 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.481 ' O ' ' HB2' ' A' ' 66' ' ' GLN . 2.1 pp -75.75 -21.05 15.79 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.767 179.423 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.452 ' HB2' ' O ' ' A' ' 59' ' ' GLN . 2.5 tt -79.29 -34.11 42.73 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.374 179.398 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.505 ' HG2' ' O ' ' A' ' 60' ' ' ALA . 11.3 pt20 -85.29 -32.19 22.66 Favored 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 111.994 0.368 . . . . 0.0 111.994 179.77 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.463 HD22 ' NH1' ' A' ' 127' ' ' ARG . 16.2 mt -81.74 -39.79 23.66 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 112.002 0.371 . . . . 0.0 112.002 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.481 ' HB2' ' O ' ' A' ' 62' ' ' ILE . 54.9 mt-30 -102.56 155.26 36.75 Favored Pre-proline 0 CA--C 1.54 0.572 0 O-C-N 123.441 0.463 . . . . 0.0 110.899 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo -77.35 129.56 10.39 Favored 'Trans proline' 0 C--N 1.375 1.931 0 C-N-CA 122.614 2.209 . . . . 0.0 112.766 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 18.2 p -141.34 -53.26 0.46 Allowed 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.148 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 60.2 mttp 60.04 121.09 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 124.035 0.934 . . . . 0.0 112.238 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -122.44 134.28 54.6 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.873 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -99.68 -42.78 6.72 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.455 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -153.93 -149.58 5.25 Favored Glycine 0 C--N 1.34 0.766 0 O-C-N 123.44 0.462 . . . . 0.0 112.551 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -115.04 143.76 44.69 Favored 'General case' 0 C--O 1.235 0.308 0 C-N-CA 122.285 0.234 . . . . 0.0 110.866 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -100.37 -42.7 6.52 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.395 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 52.8 m -107.22 142.67 36.59 Favored 'General case' 0 C--O 1.235 0.329 0 O-C-N 123.402 0.439 . . . . 0.0 110.955 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -107.42 -42.52 4.79 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.976 -0.557 . . . . 0.0 111.408 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 16.1 t -106.55 146.0 31.17 Favored 'General case' 0 C--O 1.234 0.282 0 O-C-N 123.367 0.417 . . . . 0.0 110.716 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 91.2 m-85 -128.01 157.9 72.48 Favored Pre-proline 0 CA--C 1.539 0.542 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.86 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 7.0 Cg_exo -74.33 134.73 19.43 Favored 'Trans proline' 0 C--N 1.376 2.008 0 C-N-CA 122.526 2.151 . . . . 0.0 112.665 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 19.7 p -139.92 -46.67 0.44 Allowed 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.371 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -104.26 147.29 27.65 Favored 'General case' 0 C--O 1.234 0.253 0 O-C-N 123.453 0.471 . . . . 0.0 111.142 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -150.08 122.56 1.43 Allowed Glycine 0 C--N 1.337 0.608 0 CA-C-N 115.748 -0.66 . . . . 0.0 112.525 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -100.69 146.66 26.92 Favored 'General case' 0 C--O 1.233 0.212 0 O-C-N 123.662 0.272 . . . . 0.0 111.157 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -128.7 148.03 50.8 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.934 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 63.09 126.03 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 123.955 0.902 . . . . 0.0 112.06 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 19.6 p -99.29 -45.05 6.01 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.432 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -98.76 139.28 34.69 Favored 'General case' 0 C--O 1.235 0.309 0 O-C-N 123.447 0.467 . . . . 0.0 110.98 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -109.62 146.07 35.39 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.124 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 5.8 mp -107.76 -42.31 4.77 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.218 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 3.2 m -132.06 103.47 14.17 Favored Pre-proline 0 CA--C 1.545 0.774 0 O-C-N 123.358 0.411 . . . . 0.0 111.39 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 23.2 Cg_exo -65.82 -34.16 40.88 Favored 'Trans proline' 0 C--N 1.374 1.899 0 C-N-CA 122.668 2.245 . . . . 0.0 113.196 179.56 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -119.28 143.48 47.32 Favored 'General case' 0 C--O 1.234 0.277 0 O-C-N 123.353 0.408 . . . . 0.0 110.836 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 108.02 127.44 5.64 Favored Glycine 0 C--N 1.337 0.612 0 CA-C-N 115.823 -0.626 . . . . 0.0 112.467 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 38.8 p -128.48 130.62 47.79 Favored 'General case' 0 C--O 1.234 0.27 0 O-C-N 123.64 0.259 . . . . 0.0 111.006 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 144.27 71.64 0.02 OUTLIER Glycine 0 C--N 1.338 0.663 0 CA-C-N 115.894 -0.594 . . . . 0.0 112.48 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -128.57 151.34 49.57 Favored 'General case' 0 C--O 1.237 0.397 0 O-C-N 123.65 0.265 . . . . 0.0 111.003 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -97.61 55.27 1.22 Allowed Glycine 0 C--N 1.338 0.653 0 CA-C-N 115.908 -0.587 . . . . 0.0 112.607 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -122.58 134.37 54.53 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 122.35 0.26 . . . . 0.0 110.678 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 42.8 m-80 -121.64 113.53 19.89 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.999 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -140.94 -37.64 0.44 Allowed 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.954 179.753 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -76.81 -29.54 56.01 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.602 179.578 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 13.6 mt -83.43 -26.57 30.25 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.788 179.789 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -71.12 -43.66 67.17 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.771 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -64.87 -39.68 93.92 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 122.947 0.499 . . . . 0.0 111.692 179.447 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 58.9 mttp -74.45 -31.02 62.11 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.662 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -71.55 -38.22 71.04 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.577 179.523 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -75.71 -35.9 60.15 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.433 179.321 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' SER . . . . . 0.455 ' O ' ' HG3' ' A' ' 112' ' ' GLU . 16.4 t -70.24 -42.07 72.69 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.134 179.294 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 20.9 mt -72.31 -33.63 67.51 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 115.932 -0.577 . . . . 0.0 111.12 179.4 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -69.67 -34.76 74.42 Favored 'General case' 0 N--CA 1.47 0.525 0 O-C-N 123.401 0.438 . . . . 0.0 110.845 178.542 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -74.79 -29.96 61.28 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.52 178.487 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.455 ' HG3' ' O ' ' A' ' 108' ' ' SER . 42.2 mt-10 -71.47 -38.26 71.25 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.381 178.727 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 12.1 mt -75.2 -34.11 30.35 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.189 179.077 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 54.0 mt-30 -73.96 -32.52 63.51 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.951 178.715 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -73.64 -36.22 65.39 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.783 178.649 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.666 ' O ' HG12 ' A' ' 120' ' ' ILE . 13.5 mt -68.8 -41.6 78.45 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.93 178.68 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -68.2 -37.2 80.67 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.184 179.22 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -68.97 -33.84 74.35 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.082 178.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.554 ' O ' HG22 ' A' ' 123' ' ' VAL . 15.2 mt -70.75 -38.15 73.48 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.517 179.416 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 120' ' ' ILE . . . . . 0.666 HG12 ' O ' ' A' ' 116' ' ' LEU . 31.1 mm -70.3 -36.29 66.54 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 O-C-N 123.32 0.387 . . . . 0.0 110.223 178.771 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -72.77 -29.34 63.22 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.552 179.177 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -75.94 -38.18 57.89 Favored 'General case' 0 N--CA 1.47 0.568 0 O-C-N 123.269 0.356 . . . . 0.0 111.575 179.433 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.554 HG22 ' O ' ' A' ' 119' ' ' LEU . 4.7 m -74.33 -33.42 33.92 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 O-C-N 123.246 0.341 . . . . 0.0 110.938 178.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 36.5 ttt180 -71.23 -39.86 71.41 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.824 178.668 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -74.21 -30.68 62.31 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 115.875 -0.602 . . . . 0.0 112.021 179.518 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -74.98 -41.77 58.89 Favored 'General case' 0 N--CA 1.471 0.6 0 N-CA-C 112.179 0.436 . . . . 0.0 112.179 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 127' ' ' ARG . . . . . 0.463 ' NH1' HD22 ' A' ' 65' ' ' LEU . 60.8 mtt180 -114.43 128.94 56.6 Favored 'General case' 0 N--CA 1.465 0.324 0 O-C-N 123.342 0.401 . . . . 0.0 110.786 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 124.5 146.06 6.8 Favored Glycine 0 C--N 1.338 0.641 0 CA-C-N 115.778 -0.646 . . . . 0.0 112.451 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -100.66 131.04 46.77 Favored 'General case' 0 N--CA 1.465 0.323 0 O-C-N 123.6 0.235 . . . . 0.0 110.939 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -125.69 130.73 52.12 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.794 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 35.2 ttt180 -105.81 130.05 53.87 Favored 'General case' 0 C--O 1.233 0.222 0 O-C-N 123.607 0.567 . . . . 0.0 110.595 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 3.8 m -117.6 158.92 44.04 Favored Pre-proline 0 CA--C 1.543 0.711 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.232 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 6.7 Cg_exo . . . . . 0 C--N 1.377 2.066 0 C-N-CA 122.573 2.182 . . . . 0.0 112.768 179.989 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.317 0 CA-C-O 119.36 -0.689 . . . . 0.0 112.575 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo -76.05 126.84 9.56 Favored 'Trans proline' 0 C--N 1.371 1.712 0 C-N-CA 123.084 2.523 . . . . 0.0 112.677 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 9.3 m-90 70.63 -47.86 0.65 Allowed 'General case' 0 N--CA 1.487 1.422 0 C-N-CA 124.572 1.149 . . . . 0.0 112.576 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -110.44 129.73 55.71 Favored 'General case' 0 C--O 1.235 0.304 0 O-C-N 123.307 0.379 . . . . 0.0 110.854 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -100.42 150.33 22.74 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.797 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -97.07 116.15 28.76 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.981 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 49.4 m -130.21 -45.67 1.12 Allowed 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.704 179.628 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 62.8 m80 -129.46 94.77 3.85 Favored 'General case' 0 C--O 1.238 0.471 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.199 179.312 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.1 pp -144.04 -0.91 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 CA-C-N 115.43 -0.805 . . . . 0.0 111.891 -179.53 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 5.6 m -87.66 -6.07 10.54 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 N-CA-C 112.281 0.474 . . . . 0.0 112.281 -179.787 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 53.2 m -95.86 -30.9 13.41 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.686 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -91.15 -15.68 28.98 Favored 'General case' 0 N--CA 1.468 0.445 0 N-CA-C 112.248 0.462 . . . . 0.0 112.248 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -91.01 -22.32 20.84 Favored 'General case' 0 N--CA 1.468 0.432 0 O-C-N 123.279 0.362 . . . . 0.0 111.767 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.6 m -77.33 -39.67 28.36 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 N-CA-C 112.42 0.526 . . . . 0.0 112.42 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -66.07 -38.88 94.43 Favored Glycine 0 C--N 1.342 0.888 0 O-C-N 123.411 0.444 . . . . 0.0 113.681 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -73.21 -37.26 66.5 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 122.56 0.344 . . . . 0.0 111.517 179.765 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -71.55 -35.45 70.63 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.129 179.326 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 95.7 m -71.97 -36.4 69.8 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 178.848 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.542 ' O ' HG22 ' A' ' 23' ' ' VAL . 40.4 mt-10 -70.46 -33.25 71.07 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.76 178.774 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -73.13 -44.01 60.8 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 123.411 0.445 . . . . 0.0 111.792 179.744 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.404 ' O ' ' HB2' ' A' ' 25' ' ' LEU . 1.6 mp -71.71 -27.21 27.41 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.709 0 CA-C-N 116.248 -0.433 . . . . 0.0 109.836 178.191 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -70.48 -43.98 59.8 Favored Glycine 0 C--N 1.347 1.179 0 CA-C-N 115.967 -0.56 . . . . 0.0 112.422 178.75 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.542 HG22 ' O ' ' A' ' 19' ' ' GLU . 4.4 m -71.15 -35.05 56.97 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 CA-C-O 120.838 0.351 . . . . 0.0 110.983 178.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 58.4 mttp -70.71 -33.6 71.03 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.864 178.542 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.427 ' O ' ' HG3' ' A' ' 29' ' ' GLU . 5.3 tp -69.47 -40.65 76.98 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.987 179.189 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 14.0 mt -68.24 -39.33 82.3 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.241 179.102 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 27.7 m80 -70.63 -32.26 69.52 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.246 178.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.486 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 16.7 mt -74.84 -30.84 61.5 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.193 178.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.427 ' HG3' ' O ' ' A' ' 25' ' ' LEU . 42.7 mt-10 -70.77 -45.33 64.95 Favored 'General case' 0 N--CA 1.471 0.597 0 O-C-N 123.362 0.414 . . . . 0.0 110.786 179.106 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -66.98 -37.84 84.97 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.611 178.657 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 -74.36 -22.81 59.04 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.169 178.549 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.486 ' HB2' ' O ' ' A' ' 28' ' ' LEU . 3.6 tt -72.54 -45.94 56.91 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 122.87 0.468 . . . . 0.0 110.619 179.229 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.458 ' O ' ' HD2' ' A' ' 37' ' ' TYR . 5.1 mp -69.83 -37.67 76.29 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.485 178.582 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -70.35 -28.59 71.1 Favored Glycine 0 C--N 1.345 1.049 0 CA-C-N 115.651 -0.704 . . . . 0.0 112.771 178.821 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -81.09 -31.24 34.45 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 122.601 0.36 . . . . 0.0 111.753 179.264 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 47.8 mtt -78.15 -30.74 49.38 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 116.139 -0.482 . . . . 0.0 112.253 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.458 ' HD2' ' O ' ' A' ' 33' ' ' LEU . 12.9 m-85 -79.1 -40.78 30.23 Favored 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 112.014 0.376 . . . . 0.0 112.014 179.654 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 82.9 p -86.85 -19.83 28.38 Favored 'General case' 0 N--CA 1.47 0.57 0 O-C-N 123.334 0.396 . . . . 0.0 112.008 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 71.2 m-70 63.39 110.62 0.03 OUTLIER 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 123.958 0.903 . . . . 0.0 111.649 -179.593 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -138.13 169.5 17.68 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.937 -179.727 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -115.84 -40.3 3.36 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.424 179.759 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.83 -30.73 70.99 Favored 'General case' 0 N--CA 1.474 0.76 0 N-CA-C 112.755 0.65 . . . . 0.0 112.755 -179.767 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.451 ' O ' ' HB2' ' A' ' 47' ' ' LEU . 2.0 mt -69.15 -28.28 66.29 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 112.426 0.528 . . . . 0.0 112.426 -179.783 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 53.8 m-85 -74.04 -35.45 64.31 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 122.516 0.326 . . . . 0.0 111.355 179.177 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 55.4 mt-30 -71.94 -41.56 67.65 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.772 179.163 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 51.2 m -69.1 -34.1 74.56 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.818 178.541 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.451 ' HB2' ' O ' ' A' ' 43' ' ' LEU . 2.3 tt -70.74 -34.68 72.13 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.104 179.174 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 53.5 mt-30 -72.18 -38.51 69.07 Favored 'General case' 0 N--CA 1.473 0.712 0 O-C-N 123.568 0.542 . . . . 0.0 111.335 179.293 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -71.61 -36.07 62.41 Favored Glycine 0 C--N 1.344 0.998 0 CA-C-N 116.024 -0.535 . . . . 0.0 112.424 179.169 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.485 ' O ' HG22 ' A' ' 54' ' ' VAL . 43.2 mt-10 -72.66 -35.57 67.75 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 122.907 0.483 . . . . 0.0 110.978 179.15 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.0 tp -71.66 -35.05 70.22 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.992 179.322 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 54.7 mt-30 -74.47 -32.93 62.75 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.973 179.062 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 18.3 p -73.05 -36.47 66.91 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.659 179.151 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.485 HG22 ' O ' ' A' ' 50' ' ' GLU . 11.9 m -74.42 -34.19 35.49 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.846 178.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -69.49 -36.92 76.98 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.794 178.365 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -72.67 -34.37 67.16 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.162 178.81 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 14.3 p -73.36 -33.7 65.21 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.31 178.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 20.6 mt -72.99 -37.22 67.08 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.886 179.055 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.473 ' O ' HG13 ' A' ' 62' ' ' ILE . 13.7 tt0 -69.44 -38.6 77.9 Favored 'General case' 0 N--CA 1.47 0.566 0 O-C-N 123.536 0.523 . . . . 0.0 110.292 178.539 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.427 ' O ' ' HB2' ' A' ' 64' ' ' GLN . . . -69.95 -30.7 68.15 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.95 178.608 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 37.3 mmm -70.32 -43.44 70.31 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 115.822 -0.627 . . . . 0.0 111.529 178.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.473 HG13 ' O ' ' A' ' 59' ' ' GLN . 1.4 pt -75.56 -25.13 17.45 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 O-C-N 123.47 0.481 . . . . 0.0 112.073 179.507 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 2.6 tt -85.31 -24.94 27.47 Favored 'General case' 0 N--CA 1.469 0.51 0 O-C-N 123.435 0.46 . . . . 0.0 111.388 179.543 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.427 ' HB2' ' O ' ' A' ' 60' ' ' ALA . 5.1 tt0 -91.6 -27.43 18.16 Favored 'General case' 0 N--CA 1.468 0.448 0 O-C-N 123.176 0.298 . . . . 0.0 111.776 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 22.6 mt -87.92 -31.45 19.43 Favored 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 111.95 0.352 . . . . 0.0 111.95 -179.749 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 55.3 mt-30 -92.9 157.66 39.0 Favored Pre-proline 0 CA--C 1.541 0.607 0 O-C-N 123.27 0.356 . . . . 0.0 111.0 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 7.9 Cg_exo -73.48 141.02 30.86 Favored 'Trans proline' 0 C--N 1.377 2.035 0 C-N-CA 122.577 2.184 . . . . 0.0 112.794 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 19.2 p -137.22 129.8 30.05 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.001 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -99.83 130.99 46.07 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.923 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 62.35 121.41 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 123.909 0.883 . . . . 0.0 112.078 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -128.25 129.79 46.94 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 115.78 -0.646 . . . . 0.0 111.048 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -177.15 -127.23 1.03 Allowed Glycine 0 C--N 1.336 0.556 0 CA-C-N 115.892 -0.595 . . . . 0.0 112.561 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -101.58 141.25 34.74 Favored 'General case' 0 N--CA 1.464 0.265 0 O-C-N 123.59 0.23 . . . . 0.0 110.813 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -100.25 152.08 20.71 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.189 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 53.4 m -120.7 -36.61 3.14 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.693 -179.764 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -90.44 -43.51 10.23 Favored 'General case' 0 N--CA 1.466 0.355 0 O-C-N 123.336 0.397 . . . . 0.0 111.896 -179.644 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 59.2 m -101.82 143.98 31.05 Favored 'General case' 0 C--O 1.234 0.253 0 O-C-N 123.371 0.419 . . . . 0.0 110.862 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 87.4 m-85 -132.6 157.05 79.32 Favored Pre-proline 0 CA--C 1.541 0.605 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.927 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -76.06 -36.69 1.84 Allowed 'Trans proline' 0 C--N 1.376 2.009 0 C-N-CA 122.541 2.161 . . . . 0.0 112.99 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 18.4 p -128.93 147.77 50.87 Favored 'General case' 0 N--CA 1.466 0.372 0 O-C-N 123.419 0.45 . . . . 0.0 111.068 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -103.11 147.02 27.51 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.086 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -121.93 122.59 5.16 Favored Glycine 0 C--N 1.338 0.642 0 CA-C-N 115.884 -0.598 . . . . 0.0 112.537 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -126.26 136.99 53.46 Favored 'General case' 0 C--O 1.234 0.24 0 O-C-N 123.631 0.253 . . . . 0.0 111.078 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -105.65 142.44 35.39 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.824 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -105.36 147.42 28.2 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.946 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 18.5 p -134.52 128.27 33.01 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.932 -0.577 . . . . 0.0 111.05 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 62.86 125.49 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.335 0 C-N-CA 123.975 0.91 . . . . 0.0 112.025 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -108.47 144.42 36.12 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.047 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 5.8 mp -114.42 140.33 48.77 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.893 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 4.0 m -97.4 158.8 32.55 Favored Pre-proline 0 CA--C 1.545 0.766 0 O-C-N 123.656 0.598 . . . . 0.0 111.331 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 6.6 Cg_exo -75.11 157.9 42.04 Favored 'Trans proline' 0 C--N 1.376 1.984 0 C-N-CA 122.685 2.256 . . . . 0.0 112.683 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -109.94 146.93 34.36 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.89 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -99.56 87.15 0.73 Allowed Glycine 0 C--N 1.337 0.591 0 O-C-N 123.676 0.61 . . . . 0.0 112.59 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 45.6 p -127.66 -42.27 1.63 Allowed 'General case' 0 C--O 1.236 0.348 0 O-C-N 123.703 0.296 . . . . 0.0 111.242 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 165.84 148.99 5.72 Favored Glycine 0 C--N 1.34 0.76 0 O-C-N 123.398 0.436 . . . . 0.0 112.543 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 89.0 m-85 -100.4 142.71 31.5 Favored 'General case' 0 C--O 1.235 0.312 0 C-N-CA 122.352 0.261 . . . . 0.0 110.925 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 141.14 66.03 0.03 OUTLIER Glycine 0 C--N 1.336 0.557 0 CA-C-N 115.88 -0.6 . . . . 0.0 112.477 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -100.78 147.8 25.65 Favored 'General case' 0 N--CA 1.465 0.322 0 O-C-N 123.604 0.238 . . . . 0.0 110.96 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 42.6 m-80 -116.93 -15.29 10.64 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.769 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -90.02 -21.08 22.54 Favored 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 111.882 0.327 . . . . 0.0 111.882 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -77.0 -31.1 56.21 Favored 'General case' 0 N--CA 1.471 0.585 0 N-CA-C 112.32 0.489 . . . . 0.0 112.32 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 13.6 mt -86.33 -26.77 24.69 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.955 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -73.43 -38.32 65.58 Favored 'General case' 0 N--CA 1.472 0.649 0 O-C-N 123.381 0.426 . . . . 0.0 111.915 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -64.67 -40.2 95.01 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.692 179.528 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -78.23 -31.45 49.3 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.474 179.791 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -71.75 -41.02 68.94 Favored 'General case' 0 N--CA 1.47 0.551 0 O-C-N 123.276 0.36 . . . . 0.0 111.383 179.336 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -75.97 -35.33 59.69 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.847 179.582 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 16.5 t -70.2 -41.98 72.95 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 123.299 0.374 . . . . 0.0 111.126 179.457 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 3.7 mp -72.71 -34.92 67.45 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.33 179.464 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -69.3 -34.99 75.54 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.104 178.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -74.79 -31.74 61.82 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.81 178.873 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -73.29 -32.66 64.77 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.522 178.799 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 23.8 mt -78.82 -33.12 16.16 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 178.735 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 -70.38 -35.84 73.75 Favored 'General case' 0 N--CA 1.473 0.684 0 O-C-N 123.367 0.417 . . . . 0.0 110.614 178.548 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 12.4 t80 -75.43 -36.03 60.84 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.83 178.265 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.656 ' O ' HG12 ' A' ' 120' ' ' ILE . 13.1 tp -69.46 -42.23 75.19 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.57 178.916 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -69.32 -34.9 75.35 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.954 179.155 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -68.64 -34.37 75.61 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.68 178.604 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.607 ' O ' HG23 ' A' ' 123' ' ' VAL . 16.9 mt -69.65 -40.56 76.39 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.336 179.054 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 120' ' ' ILE . . . . . 0.656 HG12 ' O ' ' A' ' 116' ' ' LEU . 22.7 mm -67.4 -35.87 74.82 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 O-C-N 123.346 0.404 . . . . 0.0 110.317 178.846 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -72.56 -30.2 64.22 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.427 179.211 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -76.06 -33.85 59.59 Favored 'General case' 0 N--CA 1.471 0.596 0 O-C-N 123.445 0.465 . . . . 0.0 111.832 179.504 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.607 HG23 ' O ' ' A' ' 119' ' ' LEU . 38.2 t -77.58 -33.9 19.79 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 178.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 74.7 mtp180 -71.09 -38.27 72.41 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.275 178.723 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -74.23 -38.82 63.42 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.883 179.444 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -75.54 -44.69 42.21 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 116.127 -0.488 . . . . 0.0 112.136 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 30.6 mmt180 70.2 -52.24 0.64 Allowed 'General case' 0 N--CA 1.487 1.406 0 C-N-CA 124.436 1.094 . . . . 0.0 112.427 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 154.65 -59.05 0.39 Allowed Glycine 0 C--N 1.338 0.683 0 O-C-N 123.302 0.376 . . . . 0.0 112.456 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -128.44 -42.65 1.47 Allowed 'General case' 0 C--O 1.236 0.372 0 C-N-CA 122.306 0.242 . . . . 0.0 111.164 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -102.56 136.38 42.5 Favored 'General case' 0 N--CA 1.465 0.291 0 O-C-N 123.381 0.425 . . . . 0.0 110.787 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -108.88 -44.61 3.97 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.105 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 132' ' ' VAL . . . . . 0.698 ' H ' ' CD ' ' A' ' 133' ' ' PRO . 3.4 m -142.26 -32.09 0.0 OUTLIER Pre-proline 0 CA--C 1.552 1.022 0 N-CA-C 113.391 0.886 . . . . 0.0 113.391 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 133' ' ' PRO . . . . . 0.698 ' CD ' ' H ' ' A' ' 132' ' ' VAL . 3.8 Cg_exo . . . . . 0 C--N 1.385 2.455 0 C-N-CA 122.028 1.819 . . . . 0.0 112.733 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.175 0 CA-C-O 119.233 -0.759 . . . . 0.0 112.765 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 5.1 Cg_exo -75.82 159.98 37.87 Favored 'Trans proline' 0 C--N 1.369 1.61 0 C-N-CA 123.073 2.515 . . . . 0.0 112.827 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 30.6 m-90 -98.93 146.88 25.54 Favored 'General case' 0 N--CA 1.465 0.302 0 O-C-N 123.591 0.557 . . . . 0.0 110.987 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 58.7 mttp -128.4 -31.09 2.31 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.446 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -90.04 144.11 26.19 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.145 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -128.12 -7.5 5.41 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.722 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 14.4 t -87.88 -16.25 34.45 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 122.505 0.322 . . . . 0.0 111.737 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 61.0 m80 -93.5 -36.77 12.27 Favored 'General case' 0 N--CA 1.468 0.443 0 O-C-N 123.241 0.338 . . . . 0.0 111.417 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.437 ' H ' HG13 ' A' ' 9' ' ' ILE . 1.1 pp -94.57 85.29 1.78 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 CA-C-O 121.432 0.634 . . . . 0.0 111.209 179.82 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 3.1 m -147.17 -35.59 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 CA-C-N 115.109 -0.95 . . . . 0.0 111.153 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 71.4 m -85.76 -18.99 31.44 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.91 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -95.78 -16.83 21.64 Favored 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 112.149 0.425 . . . . 0.0 112.149 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -92.49 -22.34 19.63 Favored 'General case' 0 N--CA 1.469 0.516 0 O-C-N 123.266 0.354 . . . . 0.0 111.832 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.5 m -75.61 -39.46 39.82 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 N-CA-C 112.646 0.61 . . . . 0.0 112.646 -179.552 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -65.29 -40.35 96.54 Favored Glycine 0 C--N 1.342 0.887 0 CA-C-N 116.312 -0.404 . . . . 0.0 113.768 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -75.87 -35.53 59.85 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 122.425 0.29 . . . . 0.0 111.692 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -73.88 -34.54 64.49 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.194 179.35 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.425 ' HB3' ' NH2' ' A' ' 124' ' ' ARG . 78.8 m -74.38 -36.09 63.53 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.651 178.89 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.567 ' O ' HG22 ' A' ' 23' ' ' VAL . 9.2 tt0 -70.13 -35.5 74.12 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.163 178.861 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -73.03 -39.79 65.66 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.736 179.51 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.496 ' O ' ' HB2' ' A' ' 25' ' ' LEU . 1.2 mp -72.26 -27.43 26.59 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.66 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.062 178.36 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -71.99 -45.21 43.0 Favored Glycine 0 C--N 1.346 1.134 0 O-C-N 123.49 0.493 . . . . 0.0 112.584 178.83 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.567 HG22 ' O ' ' A' ' 19' ' ' GLU . 3.3 m -71.06 -35.28 58.35 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 CA-C-O 120.715 0.293 . . . . 0.0 111.305 179.355 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -71.49 -33.61 69.42 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.963 178.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.496 ' HB2' ' O ' ' A' ' 21' ' ' ILE . 2.6 tt -69.61 -39.99 76.89 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 179.23 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 13.7 mt -67.85 -39.82 83.77 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.087 178.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 27.3 m80 -69.85 -33.1 71.83 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.4 178.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.457 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 23.9 mt -74.88 -29.53 61.04 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.239 178.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.428 ' HG3' ' O ' ' A' ' 25' ' ' LEU . 45.0 mt-10 -72.0 -42.29 66.61 Favored 'General case' 0 N--CA 1.473 0.682 0 O-C-N 123.414 0.446 . . . . 0.0 110.884 178.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -69.79 -37.12 76.2 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.91 178.724 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 53.9 mt-30 -74.31 -26.16 60.0 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.322 178.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.457 ' HB2' ' O ' ' A' ' 28' ' ' LEU . 4.5 tt -73.64 -42.99 60.69 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.63 179.328 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.457 ' O ' ' HD2' ' A' ' 37' ' ' TYR . 8.7 mt -70.07 -37.66 75.54 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.766 178.853 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -71.97 -30.05 66.15 Favored Glycine 0 C--N 1.343 0.949 0 CA-C-N 115.716 -0.674 . . . . 0.0 112.587 178.807 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -81.08 -26.56 36.17 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 122.661 0.384 . . . . 0.0 111.708 179.107 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 37.3 mtt -79.84 -37.13 35.66 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 112.141 0.423 . . . . 0.0 112.141 179.652 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.457 ' HD2' ' O ' ' A' ' 33' ' ' LEU . 35.2 m-85 -81.18 -39.22 25.82 Favored 'General case' 0 N--CA 1.471 0.598 0 O-C-N 123.272 0.357 . . . . 0.0 111.901 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 14.2 t -86.58 -23.08 25.91 Favored 'General case' 0 N--CA 1.47 0.536 0 O-C-N 123.442 0.463 . . . . 0.0 111.817 179.769 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 71.3 m-70 62.25 108.88 0.02 OUTLIER 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 123.96 0.904 . . . . 0.0 111.856 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -142.76 157.8 44.28 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.9 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -98.52 -39.42 8.74 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.591 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.69 -39.32 88.05 Favored 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 112.522 0.564 . . . . 0.0 112.522 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 6.5 mp -70.16 -28.74 65.57 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-N 116.013 -0.54 . . . . 0.0 112.083 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -70.79 -37.92 73.34 Favored 'General case' 0 N--CA 1.471 0.596 0 O-C-N 123.302 0.376 . . . . 0.0 110.802 179.326 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 -72.01 -36.58 69.77 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.536 178.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 53.3 m -69.22 -37.26 77.96 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.361 178.589 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 20.2 mt -70.87 -36.36 72.76 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.871 179.411 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 11.9 tt0 -71.94 -39.37 69.46 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.47 179.79 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -71.78 -39.04 60.46 Favored Glycine 0 C--N 1.343 0.937 0 CA-C-N 116.073 -0.512 . . . . 0.0 112.9 179.571 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.502 ' O ' HG22 ' A' ' 54' ' ' VAL . 43.8 mt-10 -71.94 -35.67 69.67 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 122.767 0.427 . . . . 0.0 111.343 179.579 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.7 tt -72.35 -35.2 68.47 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.89 179.339 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 4.3 tp60 -74.85 -30.95 61.51 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.035 179.181 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 16.6 p -74.84 -36.64 62.38 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.578 179.082 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.502 HG22 ' O ' ' A' ' 50' ' ' GLU . 12.0 m -74.54 -33.96 34.01 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 O-C-N 123.315 0.385 . . . . 0.0 110.821 178.908 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 33.6 tttm -71.3 -37.25 71.83 Favored 'General case' 0 C--N 1.347 0.491 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.699 178.714 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -72.87 -33.56 66.17 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.082 178.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 12.0 p -73.76 -33.44 64.29 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.276 178.858 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 6.8 tp -72.86 -38.38 67.07 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.534 179.181 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.501 ' O ' HG13 ' A' ' 62' ' ' ILE . 54.8 mt-30 -69.38 -37.67 77.67 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.602 178.565 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.456 ' O ' ' HB2' ' A' ' 64' ' ' GLN . . . -70.09 -31.49 69.09 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.028 178.612 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 65.8 mmm -70.52 -42.43 71.26 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.506 179.013 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.501 HG13 ' O ' ' A' ' 59' ' ' GLN . 1.2 pt -75.48 -25.05 17.52 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 O-C-N 123.461 0.476 . . . . 0.0 111.751 179.082 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.6 tp -85.13 -23.37 28.47 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.162 179.149 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.456 ' HB2' ' O ' ' A' ' 60' ' ' ALA . 6.2 tt0 -87.66 -33.11 18.9 Favored 'General case' 0 N--CA 1.469 0.512 0 O-C-N 123.41 0.444 . . . . 0.0 111.273 179.581 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 11.4 mt -86.95 -38.14 16.93 Favored 'General case' 0 N--CA 1.47 0.531 0 O-C-N 123.425 0.453 . . . . 0.0 111.363 179.809 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -112.82 106.25 55.41 Favored Pre-proline 0 CA--C 1.542 0.653 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.507 179.571 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 25.0 Cg_exo -63.94 -36.18 51.03 Favored 'Trans proline' 0 C--N 1.374 1.887 0 C-N-CA 122.766 2.311 . . . . 0.0 113.69 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 18.9 p -139.21 143.9 38.25 Favored 'General case' 0 N--CA 1.465 0.325 0 O-C-N 123.315 0.384 . . . . 0.0 111.43 -179.733 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.453 ' NZ ' ' HB ' ' A' ' 62' ' ' ILE . 94.6 mttt -130.77 146.7 52.3 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.761 179.711 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -128.69 130.62 47.41 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.767 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -125.18 -43.06 1.96 Allowed 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.417 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 137.39 -160.27 25.04 Favored Glycine 0 C--N 1.34 0.77 0 O-C-N 123.516 0.51 . . . . 0.0 112.656 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -109.16 -42.31 4.44 Favored 'General case' 0 N--CA 1.465 0.292 0 C-N-CA 122.333 0.253 . . . . 0.0 111.236 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . 62.91 125.04 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 123.892 0.877 . . . . 0.0 112.239 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 40.2 p -127.9 149.86 50.13 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.092 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -100.02 141.67 32.54 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.888 -0.597 . . . . 0.0 111.087 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 52.1 m -101.32 147.66 26.05 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.94 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 27.1 p90 -98.67 118.37 63.19 Favored Pre-proline 0 CA--C 1.543 0.676 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.023 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 26.7 Cg_exo -63.76 141.6 79.42 Favored 'Trans proline' 0 C--N 1.376 2.02 0 C-N-CA 122.657 2.238 . . . . 0.0 113.084 179.473 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 5.9 t -137.38 -43.4 0.55 Allowed 'General case' 0 CA--C 1.537 0.443 0 O-C-N 123.707 0.63 . . . . 0.0 111.358 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -121.88 146.7 46.85 Favored 'General case' 0 C--O 1.236 0.37 0 O-C-N 123.388 0.43 . . . . 0.0 111.134 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 159.64 -80.94 0.15 Allowed Glycine 0 C--N 1.336 0.566 0 CA-C-N 115.943 -0.571 . . . . 0.0 112.492 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -98.64 -42.81 7.08 Favored 'General case' 0 C--O 1.234 0.25 0 O-C-N 123.667 0.275 . . . . 0.0 111.38 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 70.94 -50.63 0.68 Allowed 'General case' 0 N--CA 1.488 1.448 0 C-N-CA 124.383 1.073 . . . . 0.0 112.364 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -100.84 139.53 36.4 Favored 'General case' 0 N--CA 1.466 0.331 0 O-C-N 123.2 0.313 . . . . 0.0 110.826 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 7.2 t -137.44 126.55 24.46 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.997 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -106.67 145.65 31.73 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.905 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -123.79 142.21 51.31 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.085 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 5.8 mp -100.84 141.92 33.04 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.963 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 3.3 m -99.63 106.13 38.16 Favored Pre-proline 0 CA--C 1.545 0.772 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.221 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 25.7 Cg_exo -64.33 144.65 86.61 Favored 'Trans proline' 0 C--N 1.377 2.052 0 C-N-CA 122.617 2.212 . . . . 0.0 113.039 179.43 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -98.69 -43.5 6.78 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.34 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -169.11 130.49 2.07 Favored Glycine 0 C--N 1.34 0.772 0 O-C-N 123.461 0.476 . . . . 0.0 112.523 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 16.1 t -106.25 137.76 43.62 Favored 'General case' 0 C--O 1.234 0.271 0 C-N-CA 122.29 0.236 . . . . 0.0 110.663 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 148.77 55.44 0.02 OUTLIER Glycine 0 C--N 1.337 0.624 0 CA-C-N 115.827 -0.624 . . . . 0.0 112.493 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -105.91 -42.73 5.05 Favored 'General case' 0 N--CA 1.465 0.32 0 O-C-N 123.669 0.276 . . . . 0.0 111.204 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 144.34 57.87 0.02 OUTLIER Glycine 0 C--N 1.339 0.729 0 O-C-N 123.572 0.545 . . . . 0.0 112.52 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 57.8 mmtt -108.74 146.03 34.19 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 120.583 0.23 . . . . 0.0 110.912 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 51.6 m-80 -110.19 127.3 54.86 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.793 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -121.29 -29.36 4.5 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 115.839 -0.618 . . . . 0.0 110.954 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -76.81 -29.8 56.13 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 122.846 0.458 . . . . 0.0 112.016 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 25.3 mt -83.72 -26.77 29.48 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.83 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -74.88 -38.39 61.91 Favored 'General case' 0 N--CA 1.473 0.691 0 O-C-N 123.294 0.371 . . . . 0.0 111.758 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -64.56 -40.69 96.02 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 122.889 0.476 . . . . 0.0 111.758 179.61 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -77.03 -35.55 56.84 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.543 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -71.55 -38.93 70.95 Favored 'General case' 0 N--CA 1.47 0.555 0 O-C-N 123.473 0.483 . . . . 0.0 111.575 179.285 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -75.84 -32.84 59.97 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.749 179.414 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 44.7 p -71.28 -41.88 69.43 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.328 179.318 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 19.2 mt -73.25 -34.91 66.1 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.265 179.459 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -70.3 -34.78 73.14 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.244 179.107 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -75.53 -31.33 60.05 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.916 178.774 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -73.56 -33.48 64.7 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.491 178.773 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 27.7 mt -78.89 -33.13 15.99 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 O-C-N 123.289 0.368 . . . . 0.0 110.061 178.803 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 50.5 mt-30 -69.97 -36.05 74.91 Favored 'General case' 0 N--CA 1.471 0.596 0 O-C-N 123.369 0.418 . . . . 0.0 110.481 178.195 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -75.0 -35.86 61.98 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.992 178.592 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 11.6 tp -69.09 -35.89 76.98 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 115.43 -0.804 . . . . 0.0 110.654 178.754 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 92.3 mttt -72.5 -38.28 68.17 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.981 179.061 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -69.1 -31.77 70.73 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.217 178.277 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.589 ' O ' HG22 ' A' ' 123' ' ' VAL . 17.0 mt -71.11 -43.79 66.95 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.432 179.478 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 1.8 pp -69.54 -33.49 57.22 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.825 0 O-C-N 123.283 0.364 . . . . 0.0 111.164 179.15 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -72.98 -31.59 64.63 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.633 179.02 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -74.62 -37.13 62.9 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.699 179.592 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.589 HG22 ' O ' ' A' ' 119' ' ' LEU . 2.8 m -74.55 -34.05 34.2 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 O-C-N 123.346 0.404 . . . . 0.0 111.146 178.572 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 124' ' ' ARG . . . . . 0.425 ' NH2' ' HB3' ' A' ' 18' ' ' CYS . 97.9 mtt180 -71.1 -38.22 72.38 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.358 178.622 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -74.29 -36.4 63.76 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.936 179.767 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -75.24 -40.08 59.34 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 112.284 0.475 . . . . 0.0 112.284 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 3.3 mmp_? -98.29 129.45 44.99 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.985 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 114.49 55.24 0.4 Allowed Glycine 0 C--N 1.337 0.606 0 CA-C-N 115.872 -0.603 . . . . 0.0 112.495 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -112.04 133.69 54.05 Favored 'General case' 0 C--O 1.235 0.291 0 C-N-CA 122.283 0.233 . . . . 0.0 110.742 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -117.27 130.75 56.76 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.9 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 37.7 ttt180 -107.06 130.27 54.69 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.411 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 4.2 m -110.88 158.86 34.51 Favored Pre-proline 0 CA--C 1.544 0.72 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.336 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 7.1 Cg_exo . . . . . 0 C--N 1.377 2.027 0 C-N-CA 122.56 2.173 . . . . 0.0 112.728 179.774 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.172 0 CA-C-O 119.255 -0.747 . . . . 0.0 112.639 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -75.45 -35.36 2.88 Favored 'Trans proline' 0 C--N 1.369 1.644 0 C-N-CA 123.1 2.533 . . . . 0.0 113.031 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 12.4 t-105 -100.45 134.07 43.95 Favored 'General case' 0 C--O 1.234 0.276 0 O-C-N 123.504 0.502 . . . . 0.0 110.606 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -100.86 146.6 27.11 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.891 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -125.82 147.19 49.5 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.876 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -123.59 114.67 20.34 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.87 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.407 ' O ' HG22 ' A' ' 10' ' ' VAL . 13.9 t -146.09 -34.02 0.31 Allowed 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.46 -179.84 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 61.9 m80 -92.53 1.83 57.03 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 112.451 0.537 . . . . 0.0 112.451 -179.253 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.4 pp -89.92 0.19 8.42 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 N-CA-C 112.385 0.513 . . . . 0.0 112.385 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.407 HG22 ' O ' ' A' ' 7' ' ' SER . 4.8 m -90.12 -30.48 5.05 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 N-CA-C 112.079 0.399 . . . . 0.0 112.079 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 53.1 m -92.88 -15.77 26.02 Favored 'General case' 0 N--CA 1.467 0.397 0 O-C-N 123.435 0.459 . . . . 0.0 112.022 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -96.69 -25.86 15.39 Favored 'General case' 0 N--CA 1.467 0.392 0 N-CA-C 112.214 0.45 . . . . 0.0 112.214 -179.63 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -87.24 -22.21 25.36 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 112.22 0.452 . . . . 0.0 112.22 -179.659 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.1 m -72.54 -39.5 61.78 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 N-CA-C 112.546 0.573 . . . . 0.0 112.546 -179.692 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -64.08 -40.37 98.06 Favored Glycine 0 C--N 1.342 0.869 0 O-C-N 123.543 0.527 . . . . 0.0 113.728 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -75.38 -34.68 61.12 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 122.459 0.304 . . . . 0.0 111.403 179.808 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -74.24 -33.91 63.48 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.977 179.018 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.519 ' SG ' ' HD2' ' A' ' 124' ' ' ARG . 42.6 t -72.66 -38.51 67.61 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.839 178.822 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.571 ' O ' HG22 ' A' ' 23' ' ' VAL . 41.9 mt-10 -70.17 -37.2 75.11 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.645 179.25 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.415 ' O ' ' HB2' ' A' ' 24' ' ' LYS . . . -73.43 -36.61 65.96 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.642 179.601 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.416 HG22 ' O ' ' A' ' 18' ' ' CYS . 1.4 tp -73.69 -27.51 23.13 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.797 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.283 178.906 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -73.4 -45.09 31.36 Favored Glycine 0 C--N 1.347 1.145 0 CA-C-N 115.724 -0.671 . . . . 0.0 112.399 178.801 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.571 HG22 ' O ' ' A' ' 19' ' ' GLU . 3.2 m -71.3 -32.18 46.2 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.925 0 CA-C-O 120.744 0.307 . . . . 0.0 111.051 178.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.415 ' HB2' ' O ' ' A' ' 20' ' ' ALA . 47.4 tttt -73.11 -33.69 65.71 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.665 178.735 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.423 ' O ' ' HG3' ' A' ' 29' ' ' GLU . 6.7 tp -70.13 -40.56 74.77 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.029 178.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.8 mt -69.01 -39.66 79.17 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.269 179.303 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 10.6 t-80 -70.21 -31.78 69.37 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.745 178.864 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.463 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 2.7 tt -74.9 -30.64 61.35 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.94 179.118 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.423 ' HG3' ' O ' ' A' ' 25' ' ' LEU . 42.5 mt-10 -72.38 -41.67 66.08 Favored 'General case' 0 N--CA 1.473 0.678 0 O-C-N 123.516 0.51 . . . . 0.0 111.0 179.133 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -69.9 -37.24 75.92 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.937 178.67 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 12.9 tt0 -74.05 -27.19 60.8 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.965 179.136 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.463 ' HB2' ' O ' ' A' ' 28' ' ' LEU . 3.4 tt -74.7 -39.25 62.07 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.703 179.271 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.448 ' O ' ' HD1' ' A' ' 37' ' ' TYR . 4.7 tp -70.2 -39.94 74.88 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.607 179.139 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -72.09 -31.7 63.88 Favored Glycine 0 C--N 1.343 0.958 0 CA-C-N 115.669 -0.696 . . . . 0.0 113.007 179.078 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -81.24 -26.02 36.17 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 112.238 0.458 . . . . 0.0 112.238 179.635 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 16.8 mmt -82.92 -36.32 25.36 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 112.074 0.398 . . . . 0.0 112.074 -179.796 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.448 ' HD1' ' O ' ' A' ' 33' ' ' LEU . 29.7 m-85 -81.17 -35.39 31.5 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 112.087 0.403 . . . . 0.0 112.087 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 53.9 m -86.59 -27.23 24.01 Favored 'General case' 0 N--CA 1.469 0.48 0 O-C-N 123.373 0.42 . . . . 0.0 111.854 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 67.0 m80 61.53 110.14 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 123.854 0.862 . . . . 0.0 111.917 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -143.41 162.36 35.97 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.808 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -96.67 -41.24 8.6 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.677 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.81 -37.8 85.23 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 112.725 0.639 . . . . 0.0 112.725 -179.739 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.463 ' O ' ' HB2' ' A' ' 47' ' ' LEU . 6.4 mp -72.04 -28.54 63.42 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 112.363 0.505 . . . . 0.0 112.363 -179.639 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -73.46 -36.62 65.89 Favored 'General case' 0 N--CA 1.473 0.688 0 O-C-N 123.217 0.323 . . . . 0.0 111.411 179.426 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 54.4 mt-30 -72.64 -40.85 66.08 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.459 179.057 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 16.2 t -69.03 -35.79 77.02 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.802 178.612 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.463 ' HB2' ' O ' ' A' ' 43' ' ' LEU . 2.9 tt -70.76 -33.89 71.27 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.259 179.204 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.3 tp-100 -69.92 -43.58 71.38 Favored 'General case' 0 N--CA 1.472 0.66 0 O-C-N 123.443 0.465 . . . . 0.0 111.024 179.554 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -70.73 -37.77 66.83 Favored Glycine 0 C--N 1.343 0.942 0 CA-C-N 116.032 -0.531 . . . . 0.0 112.511 179.046 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.632 ' O ' HG23 ' A' ' 54' ' ' VAL . 39.5 mt-10 -71.13 -35.84 71.88 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 122.679 0.392 . . . . 0.0 111.203 179.321 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.418 ' HB2' ' O ' ' A' ' 47' ' ' LEU . 4.8 tp -70.81 -35.12 72.37 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.813 179.26 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 11.8 mm100 -72.5 -33.13 66.72 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.294 179.022 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 19.8 p -74.66 -35.5 62.83 Favored 'General case' 0 N--CA 1.473 0.688 0 O-C-N 123.389 0.43 . . . . 0.0 111.535 179.121 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.632 HG23 ' O ' ' A' ' 50' ' ' GLU . 71.7 t -74.11 -34.19 37.61 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.306 179.039 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 55.9 tttt -72.97 -37.22 67.14 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.929 179.287 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -73.05 -33.17 65.53 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.345 179.09 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.499 ' O ' ' HB2' ' A' ' 61' ' ' MET . 16.9 p -75.74 -33.22 60.24 Favored 'General case' 0 N--CA 1.472 0.647 0 O-C-N 123.501 0.501 . . . . 0.0 111.309 179.089 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -73.78 -37.01 65.11 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.522 179.03 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.457 ' O ' HG13 ' A' ' 62' ' ' ILE . 54.7 mt-30 -69.88 -41.35 74.88 Favored 'General case' 0 N--CA 1.471 0.583 0 O-C-N 123.557 0.536 . . . . 0.0 111.003 178.824 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -70.24 -30.32 67.35 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.295 178.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.573 ' O ' ' HB2' ' A' ' 65' ' ' LEU . 1.0 OUTLIER -73.6 -40.88 63.52 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.317 179.421 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.457 HG13 ' O ' ' A' ' 59' ' ' GLN . 2.2 pp -75.28 -27.1 19.19 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.564 179.781 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 2.9 tt -81.7 -29.78 32.85 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.706 178.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -90.94 -15.16 30.23 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.239 179.236 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.573 ' HB2' ' O ' ' A' ' 61' ' ' MET . 1.8 tt -73.23 -36.42 66.45 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 122.74 0.416 . . . . 0.0 111.672 179.651 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 12.0 mm100 -96.85 157.76 34.61 Favored Pre-proline 0 CA--C 1.541 0.601 0 O-C-N 123.464 0.478 . . . . 0.0 111.038 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 6.7 Cg_exo -74.61 142.96 29.84 Favored 'Trans proline' 0 C--N 1.376 1.997 0 C-N-CA 122.657 2.238 . . . . 0.0 112.838 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 18.7 p -140.6 126.91 19.86 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.98 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 55.5 mmtt -100.4 128.22 46.52 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.954 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -130.7 130.19 43.53 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.88 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -125.87 131.86 52.29 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.079 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 100.97 -132.44 10.94 Favored Glycine 0 C--N 1.338 0.646 0 CA-C-N 115.831 -0.622 . . . . 0.0 112.473 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -105.03 144.64 31.55 Favored 'General case' 0 C--O 1.235 0.294 0 O-C-N 123.63 0.253 . . . . 0.0 110.953 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -100.8 145.8 28.09 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.058 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 53.3 m -119.18 -43.01 2.65 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.229 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . 62.56 125.67 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 123.887 0.875 . . . . 0.0 112.321 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 52.9 m -124.52 145.61 49.46 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.903 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 90.0 m-85 -99.25 158.05 32.94 Favored Pre-proline 0 CA--C 1.54 0.577 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.884 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 7.3 Cg_exo -74.33 153.63 45.44 Favored 'Trans proline' 0 C--N 1.376 2.013 0 C-N-CA 122.557 2.171 . . . . 0.0 112.689 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 18.6 p -138.49 141.94 39.39 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.021 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -122.47 146.74 47.1 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.169 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 120.54 64.13 0.25 Allowed Glycine 0 C--N 1.338 0.646 0 CA-C-N 115.821 -0.627 . . . . 0.0 112.46 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -125.88 -41.79 1.94 Allowed 'General case' 0 C--O 1.235 0.323 0 O-C-N 123.643 0.261 . . . . 0.0 111.522 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 54.4 mt-30 -122.29 -41.26 2.42 Favored 'General case' 0 N--CA 1.467 0.425 0 O-C-N 123.417 0.448 . . . . 0.0 111.287 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -98.09 142.3 29.97 Favored 'General case' 0 N--CA 1.465 0.32 0 O-C-N 123.41 0.444 . . . . 0.0 111.01 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 18.4 p -113.15 148.7 34.83 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.107 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -129.11 -38.72 1.6 Allowed 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.264 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -93.35 -37.92 11.75 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.716 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 11.2 mt -95.36 131.1 41.83 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.092 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 4.0 m -136.75 159.21 71.19 Favored Pre-proline 0 CA--C 1.545 0.768 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.281 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 7.9 Cg_exo -73.66 157.21 48.62 Favored 'Trans proline' 0 C--N 1.377 2.041 0 C-N-CA 122.538 2.159 . . . . 0.0 112.782 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -127.71 145.98 50.72 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.894 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 172.02 -151.85 15.84 Favored Glycine 0 C--N 1.336 0.556 0 O-C-N 123.69 0.619 . . . . 0.0 112.606 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 16.0 t -103.98 145.37 30.25 Favored 'General case' 0 C--O 1.235 0.327 0 C-N-CA 122.33 0.252 . . . . 0.0 110.74 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 151.15 141.14 3.29 Favored Glycine 0 C--N 1.337 0.595 0 CA-C-N 115.836 -0.62 . . . . 0.0 112.478 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -115.44 129.61 56.62 Favored 'General case' 0 C--O 1.235 0.296 0 C-N-CA 122.334 0.254 . . . . 0.0 110.824 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 98.76 145.95 19.58 Favored Glycine 0 C--N 1.338 0.642 0 CA-C-N 115.841 -0.618 . . . . 0.0 112.478 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -128.61 126.83 41.05 Favored 'General case' 0 C--O 1.235 0.338 0 C-N-CA 122.343 0.257 . . . . 0.0 110.933 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 42.7 m-80 -132.26 -23.1 2.19 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.479 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -92.36 -19.4 22.13 Favored 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 112.269 0.47 . . . . 0.0 112.269 -179.613 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -67.98 -39.45 83.3 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 112.753 0.649 . . . . 0.0 112.753 -179.434 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.437 ' H ' HD23 ' A' ' 102' ' ' LEU . 0.3 OUTLIER -86.59 -27.58 23.81 Favored 'General case' 0 N--CA 1.471 0.618 0 O-C-N 123.361 0.413 . . . . 0.0 112.091 179.898 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -74.52 -41.0 61.4 Favored 'General case' 0 N--CA 1.471 0.617 0 O-C-N 123.247 0.342 . . . . 0.0 111.884 -179.799 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -64.67 -37.55 87.98 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.642 179.49 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 66.2 mttm -76.23 -36.74 58.4 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.596 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -71.43 -37.43 71.45 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.596 179.375 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -75.81 -33.67 60.13 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.627 179.277 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 57.7 m -71.63 -38.4 70.76 Favored 'General case' 0 N--CA 1.471 0.586 0 O-C-N 123.262 0.351 . . . . 0.0 111.366 179.248 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 21.9 mt -73.2 -37.91 66.3 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.226 179.22 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -69.64 -33.88 73.24 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.346 179.307 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.479 ' O ' ' HD1' ' A' ' 115' ' ' TYR . 92.8 mttt -75.27 -32.93 61.19 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.006 178.831 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.523 ' O ' ' HB2' ' A' ' 116' ' ' LEU . 41.9 mt-10 -73.35 -32.13 64.36 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.466 178.873 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 28.4 mt -78.42 -32.97 16.9 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 O-C-N 123.366 0.417 . . . . 0.0 109.911 178.483 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -67.39 -41.02 85.66 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.277 178.449 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' TYR . . . . . 0.479 ' HD1' ' O ' ' A' ' 111' ' ' LYS . 13.5 m-85 -72.24 -35.41 68.8 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.189 178.115 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.523 ' HB2' ' O ' ' A' ' 112' ' ' GLU . 2.7 tp -66.34 -37.51 85.5 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 115.186 -0.915 . . . . 0.0 111.04 178.841 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.528 ' O ' HG13 ' A' ' 120' ' ' ILE . 93.8 mttt -72.24 -38.84 68.83 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.027 179.427 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -68.88 -31.16 69.9 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.314 178.487 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.591 ' O ' HG22 ' A' ' 123' ' ' VAL . 13.1 mt -71.71 -43.76 65.34 Favored 'General case' 0 C--O 1.238 0.485 0 O-C-N 123.342 0.401 . . . . 0.0 111.42 179.545 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 120' ' ' ILE . . . . . 0.528 HG13 ' O ' ' A' ' 117' ' ' LYS . 1.1 pt -70.07 -32.95 53.03 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.359 178.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -72.86 -31.38 64.69 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.566 178.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -73.7 -39.3 64.45 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.635 179.421 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.591 HG22 ' O ' ' A' ' 119' ' ' LEU . 2.3 m -73.63 -33.05 37.66 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 O-C-N 123.299 0.374 . . . . 0.0 111.233 178.626 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 124' ' ' ARG . . . . . 0.519 ' HD2' ' SG ' ' A' ' 18' ' ' CYS . 71.4 mtp180 -70.65 -37.85 73.78 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.195 178.461 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -74.22 -34.21 63.61 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.619 179.256 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -75.26 -42.18 55.66 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 116.074 -0.512 . . . . 0.0 112.266 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 6.8 tpt180 -101.96 129.88 48.35 Favored 'General case' 0 C--O 1.235 0.311 0 O-C-N 123.312 0.382 . . . . 0.0 110.596 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -135.47 -140.05 4.13 Favored Glycine 0 C--N 1.336 0.571 0 CA-C-N 115.788 -0.642 . . . . 0.0 112.416 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 11.6 tptp -103.11 -43.22 5.54 Favored 'General case' 0 C--O 1.235 0.338 0 O-C-N 123.617 0.245 . . . . 0.0 110.888 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 56.4 mmtt -102.95 142.57 33.83 Favored 'General case' 0 N--CA 1.465 0.278 0 O-C-N 123.47 0.481 . . . . 0.0 110.899 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 131' ' ' ARG . . . . . 0.536 ' O ' ' HD3' ' A' ' 133' ' ' PRO . 84.7 mtm180 -101.49 140.25 36.03 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.801 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 3.1 m -100.26 96.54 5.2 Favored Pre-proline 0 CA--C 1.547 0.852 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.364 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 133' ' ' PRO . . . . . 0.536 ' HD3' ' O ' ' A' ' 131' ' ' ARG . 12.0 Cg_exo . . . . . 0 C--N 1.374 1.87 0 C-N-CA 122.712 2.275 . . . . 0.0 112.706 179.558 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.268 0 CA-C-O 119.338 -0.701 . . . . 0.0 112.664 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 5.9 Cg_exo -75.92 155.89 38.83 Favored 'Trans proline' 0 C--N 1.369 1.652 0 C-N-CA 123.091 2.528 . . . . 0.0 112.761 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 94.3 m95 -99.8 138.62 36.63 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.819 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -129.32 145.48 51.37 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.024 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -112.64 155.79 23.84 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.53 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -93.95 111.47 23.19 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.039 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 16.5 t -139.75 -43.84 0.44 Allowed 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 115.619 -0.718 . . . . 0.0 110.857 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 61.2 m80 -121.61 -18.29 7.23 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.621 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.1 pp -89.77 83.4 2.14 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.531 0 CA-C-O 121.378 0.609 . . . . 0.0 111.162 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 3.2 m -146.09 -34.89 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 CA-C-N 115.087 -0.96 . . . . 0.0 111.405 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 67.5 m -82.62 -15.52 51.83 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 115.892 -0.595 . . . . 0.0 112.028 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -96.69 -16.13 21.09 Favored 'General case' 0 N--CA 1.466 0.355 0 O-C-N 123.351 0.407 . . . . 0.0 111.988 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -90.37 -22.27 21.57 Favored 'General case' 0 N--CA 1.471 0.598 0 O-C-N 123.334 0.397 . . . . 0.0 111.766 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.3 m -77.16 -37.65 26.3 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 N-CA-C 112.332 0.493 . . . . 0.0 112.332 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -58.92 -35.23 82.13 Favored Glycine 0 C--N 1.342 0.893 0 O-C-N 123.489 0.493 . . . . 0.0 113.694 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -76.87 -32.02 57.2 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 122.504 0.322 . . . . 0.0 111.218 179.46 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 58.7 mttp -75.61 -34.15 60.57 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.776 179.12 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.401 ' HA ' HG22 ' A' ' 21' ' ' ILE . 79.0 m -73.22 -39.81 65.21 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 115.833 -0.622 . . . . 0.0 110.754 178.819 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.568 ' O ' HG22 ' A' ' 23' ' ' VAL . 42.0 mt-10 -70.34 -35.02 73.34 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.379 179.091 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.93 -38.51 66.79 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.698 179.612 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.484 ' O ' ' HB2' ' A' ' 25' ' ' LEU . 3.7 tp -73.41 -27.5 23.78 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.804 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.339 178.828 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.21 -43.93 45.59 Favored Glycine 0 C--N 1.348 1.204 0 CA-C-N 115.855 -0.611 . . . . 0.0 112.321 178.54 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.568 HG22 ' O ' ' A' ' 19' ' ' GLU . 3.1 m -70.55 -36.08 64.32 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.866 0 CA-C-O 120.72 0.295 . . . . 0.0 111.077 178.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -70.15 -33.46 71.81 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.828 178.667 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.484 ' HB2' ' O ' ' A' ' 21' ' ' ILE . 2.9 tt -69.59 -39.69 77.15 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.853 179.22 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 14.2 mt -69.14 -37.94 78.55 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.391 179.123 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 22.3 m80 -71.75 -32.75 68.03 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.248 178.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.484 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 20.3 mt -74.97 -30.94 61.33 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.21 178.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -72.56 -40.78 66.4 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.873 179.154 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -69.74 -38.13 76.74 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.591 178.794 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -74.47 -25.43 59.39 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.401 178.827 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.484 ' HB2' ' O ' ' A' ' 28' ' ' LEU . 4.6 tt -73.24 -44.32 59.69 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.771 179.388 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 6.7 mt -71.71 -35.35 70.19 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.71 178.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -72.23 -29.98 65.69 Favored Glycine 0 C--N 1.345 1.035 0 CA-C-N 115.623 -0.717 . . . . 0.0 112.819 178.574 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -81.05 -31.18 34.61 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 122.585 0.354 . . . . 0.0 111.787 179.47 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 51.3 mtt -79.47 -32.52 42.62 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.913 179.695 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 9.0 t80 -81.21 -39.78 24.88 Favored 'General case' 0 N--CA 1.468 0.469 0 O-C-N 123.406 0.442 . . . . 0.0 111.445 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 14.7 t -86.62 -26.62 24.31 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.748 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 74.9 m-70 62.98 107.93 0.03 OUTLIER 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 123.846 0.858 . . . . 0.0 111.775 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -143.54 164.83 29.28 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.736 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -102.66 -41.91 6.08 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.624 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.99 -37.72 84.73 Favored 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 112.814 0.672 . . . . 0.0 112.814 -179.726 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.503 ' O ' ' HB2' ' A' ' 47' ' ' LEU . 6.3 mp -70.52 -28.79 65.21 Favored 'General case' 0 N--CA 1.472 0.657 0 N-CA-C 112.443 0.534 . . . . 0.0 112.443 -179.509 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -75.71 -34.5 60.38 Favored 'General case' 0 N--CA 1.472 0.636 0 O-C-N 123.266 0.353 . . . . 0.0 111.491 179.494 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -72.2 -42.43 65.82 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.647 179.209 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 51.5 m -69.15 -35.04 75.92 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.131 178.662 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.503 ' HB2' ' O ' ' A' ' 43' ' ' LEU . 4.7 tp -70.84 -33.95 71.18 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.604 179.208 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -73.18 -39.45 65.59 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.576 179.465 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -71.53 -37.77 62.09 Favored Glycine 0 C--N 1.342 0.892 0 O-C-N 123.506 0.504 . . . . 0.0 112.594 179.16 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.505 ' O ' HG22 ' A' ' 54' ' ' VAL . 43.2 mt-10 -72.36 -35.51 68.52 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 122.818 0.447 . . . . 0.0 111.151 179.316 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.423 ' HB2' ' O ' ' A' ' 47' ' ' LEU . 2.6 tt -71.67 -35.0 70.19 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.153 179.298 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -74.24 -33.37 63.3 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.085 179.12 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 19.8 p -73.03 -36.85 67.03 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.667 179.23 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.505 HG22 ' O ' ' A' ' 50' ' ' GLU . 15.0 m -74.96 -33.89 30.98 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.76 178.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 55.7 tttt -70.02 -35.98 74.74 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.751 178.699 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -72.77 -37.27 67.69 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.886 178.658 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 13.1 p -70.82 -34.58 71.85 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.117 178.784 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.581 ' O ' HG12 ' A' ' 62' ' ' ILE . 0.8 OUTLIER -71.02 -40.36 71.82 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.759 179.35 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 54.8 mt-30 -67.23 -35.68 80.07 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.481 178.819 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.497 ' O ' ' HB2' ' A' ' 64' ' ' GLN . . . -70.05 -31.17 68.67 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.87 178.224 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.528 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 13.9 ttt -68.87 -44.71 72.73 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.209 179.115 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.581 HG12 ' O ' ' A' ' 58' ' ' LEU . 1.9 mm -75.28 -25.11 17.83 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.939 0 O-C-N 123.284 0.365 . . . . 0.0 110.69 179.413 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.7 tp -83.74 -21.18 32.33 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.09 179.436 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.497 ' HB2' ' O ' ' A' ' 60' ' ' ALA . 11.5 tt0 -87.41 -36.98 17.44 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.183 179.547 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.528 ' HG ' ' O ' ' A' ' 61' ' ' MET . 0.8 OUTLIER -126.91 78.9 1.84 Allowed 'General case' 0 C--O 1.238 0.485 0 CA-C-O 121.589 0.709 . . . . 0.0 110.641 179.674 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -114.57 137.68 22.8 Favored Pre-proline 0 CA--C 1.542 0.646 0 CA-C-N 115.111 -0.949 . . . . 0.0 110.34 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_exo -61.74 144.65 97.33 Favored 'Trans proline' 0 C--N 1.377 2.06 0 C-N-CA 122.59 2.193 . . . . 0.0 113.15 179.713 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 19.0 p -113.51 -26.87 8.1 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.725 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -89.34 -39.37 13.49 Favored 'General case' 0 N--CA 1.468 0.467 0 O-C-N 123.35 0.406 . . . . 0.0 111.536 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -97.23 128.58 44.23 Favored 'General case' 0 N--CA 1.466 0.336 0 O-C-N 123.381 0.426 . . . . 0.0 110.91 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -126.47 146.8 49.96 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.095 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -167.15 124.21 1.2 Allowed Glycine 0 C--N 1.337 0.584 0 CA-C-N 115.853 -0.612 . . . . 0.0 112.516 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -99.25 -42.83 6.85 Favored 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 122.317 0.247 . . . . 0.0 111.174 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -114.38 137.77 51.4 Favored 'General case' 0 C--O 1.233 0.234 0 O-C-N 123.461 0.475 . . . . 0.0 111.093 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 52.5 m -127.04 -42.23 1.74 Allowed 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.313 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -121.2 131.42 54.23 Favored 'General case' 0 C--O 1.236 0.364 0 O-C-N 123.395 0.434 . . . . 0.0 111.073 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 39.5 p -127.27 131.01 50.61 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.02 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 90.4 m-85 -128.21 113.46 19.94 Favored Pre-proline 0 CA--C 1.541 0.605 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.826 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -64.95 142.7 76.34 Favored 'Trans proline' 0 C--N 1.375 1.973 0 C-N-CA 122.624 2.216 . . . . 0.0 112.884 179.496 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 19.1 p -136.98 138.46 40.56 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.106 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -125.62 -42.22 1.95 Allowed 'General case' 0 C--O 1.236 0.343 0 O-C-N 123.655 0.597 . . . . 0.0 111.408 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -178.6 129.85 1.46 Allowed Glycine 0 C--N 1.34 0.771 0 O-C-N 123.482 0.489 . . . . 0.0 112.446 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -125.41 130.27 51.55 Favored 'General case' 0 C--O 1.235 0.319 0 O-C-N 123.642 0.26 . . . . 0.0 111.123 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -129.67 -42.07 1.31 Allowed 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.225 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -98.73 -41.24 7.77 Favored 'General case' 0 N--CA 1.465 0.316 0 O-C-N 123.439 0.462 . . . . 0.0 110.956 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 7.6 t -95.84 159.05 15.17 Favored 'General case' 0 CA--C 1.537 0.449 0 O-C-N 123.404 0.44 . . . . 0.0 111.205 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 71.43 -48.25 0.67 Allowed 'General case' 0 N--CA 1.489 1.495 0 C-N-CA 124.46 1.104 . . . . 0.0 112.404 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -96.87 -42.58 7.88 Favored 'General case' 0 N--CA 1.465 0.304 0 O-C-N 123.207 0.317 . . . . 0.0 111.47 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 5.7 mp 62.69 125.4 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 123.957 0.903 . . . . 0.0 112.166 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 3.9 m -104.63 158.96 30.87 Favored Pre-proline 0 CA--C 1.545 0.762 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.17 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 7.8 Cg_exo -73.83 148.68 41.4 Favored 'Trans proline' 0 C--N 1.377 2.053 0 C-N-CA 122.541 2.161 . . . . 0.0 112.749 179.813 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -100.49 145.08 28.72 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.831 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 106.06 -106.83 2.65 Favored Glycine 0 C--N 1.337 0.628 0 CA-C-N 115.791 -0.64 . . . . 0.0 112.505 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 16.4 t -111.06 -42.95 3.84 Favored 'General case' 0 N--CA 1.465 0.294 0 O-C-N 123.671 0.277 . . . . 0.0 111.081 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 130.99 88.35 0.46 Allowed Glycine 0 C--N 1.34 0.805 0 O-C-N 123.435 0.46 . . . . 0.0 112.409 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 90.1 m-85 -121.45 145.13 48.25 Favored 'General case' 0 C--O 1.235 0.311 0 C-N-CA 122.295 0.238 . . . . 0.0 110.914 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -133.35 91.13 0.26 Allowed Glycine 0 C--N 1.337 0.586 0 O-C-N 123.701 0.626 . . . . 0.0 112.456 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -100.12 -40.64 7.5 Favored 'General case' 0 N--CA 1.468 0.437 0 O-C-N 123.661 0.271 . . . . 0.0 111.335 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 38.5 m-80 -97.87 114.11 26.1 Favored 'General case' 0 C--O 1.238 0.449 0 O-C-N 123.411 0.444 . . . . 0.0 111.012 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -139.53 -37.01 0.5 Allowed 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.115 179.775 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -76.65 -29.73 56.54 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.744 179.525 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 15.2 mt -84.23 -26.62 28.55 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.724 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -71.96 -39.37 69.41 Favored 'General case' 0 N--CA 1.473 0.714 0 O-C-N 123.278 0.361 . . . . 0.0 111.852 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -64.69 -39.71 94.13 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 122.848 0.459 . . . . 0.0 111.691 179.657 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.441 ' HA ' ' HG ' ' A' ' 108' ' ' SER . 96.8 mttt -76.72 -33.19 58.18 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.675 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -71.47 -40.27 70.38 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 123.432 0.457 . . . . 0.0 111.583 179.483 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -75.97 -33.72 59.78 Favored 'General case' 0 N--CA 1.469 0.476 0 O-C-N 123.651 0.594 . . . . 0.0 111.672 179.394 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' SER . . . . . 0.441 ' HG ' ' HA ' ' A' ' 105' ' ' LYS . 50.5 p -71.02 -41.54 70.72 Favored 'General case' 0 N--CA 1.47 0.535 0 O-C-N 123.28 0.363 . . . . 0.0 111.291 179.404 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 22.7 mt -73.55 -35.11 65.45 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.28 179.446 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -69.31 -35.94 76.48 Favored 'General case' 0 N--CA 1.471 0.593 0 O-C-N 123.393 0.433 . . . . 0.0 111.257 179.196 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -74.98 -32.19 61.63 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.868 178.84 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.484 ' O ' ' HB2' ' A' ' 116' ' ' LEU . 40.3 mt-10 -73.58 -31.31 63.54 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.686 178.876 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 28.5 mt -80.06 -33.31 14.37 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 O-C-N 123.288 0.368 . . . . 0.0 110.068 178.782 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -69.71 -36.08 75.59 Favored 'General case' 0 N--CA 1.473 0.68 0 O-C-N 123.263 0.352 . . . . 0.0 110.241 178.158 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 12.6 t80 -75.26 -35.75 61.32 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-N 115.472 -0.785 . . . . 0.0 109.877 178.134 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.484 ' HB2' ' O ' ' A' ' 112' ' ' GLU . 5.1 tp -68.51 -38.93 81.36 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.946 178.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.46 ' O ' HG13 ' A' ' 120' ' ' ILE . 94.7 mttt -71.9 -37.03 70.18 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.883 179.11 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 118' ' ' ASP . . . . . 0.513 ' O ' ' HB2' ' A' ' 122' ' ' GLU . 3.3 t70 -69.47 -31.14 69.23 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.982 178.331 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.603 ' O ' HG22 ' A' ' 123' ' ' VAL . 15.7 mt -71.34 -43.44 67.0 Favored 'General case' 0 C--N 1.347 0.489 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.36 179.439 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 120' ' ' ILE . . . . . 0.46 HG13 ' O ' ' A' ' 117' ' ' LYS . 1.4 pp -70.1 -36.24 67.3 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 O-C-N 123.371 0.42 . . . . 0.0 111.326 178.886 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -73.1 -27.08 61.5 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.035 178.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' GLU . . . . . 0.513 ' HB2' ' O ' ' A' ' 118' ' ' ASP . 10.7 tt0 -75.87 -39.3 56.77 Favored 'General case' 0 C--N 1.346 0.431 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.378 179.537 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.603 HG22 ' O ' ' A' ' 119' ' ' LEU . 1.1 m -73.33 -33.3 40.41 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 O-C-N 123.309 0.381 . . . . 0.0 110.984 178.519 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 78.9 mtp180 -70.39 -40.09 74.15 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.872 178.475 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -74.52 -33.35 62.75 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.692 178.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -75.37 -41.9 55.33 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 116.02 -0.536 . . . . 0.0 112.248 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 30.5 ttt180 -125.05 138.61 54.19 Favored 'General case' 0 C--O 1.236 0.351 0 O-C-N 123.421 0.451 . . . . 0.0 110.639 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 158.32 98.85 0.15 Allowed Glycine 0 C--N 1.336 0.568 0 CA-C-N 115.909 -0.587 . . . . 0.0 112.501 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -104.47 141.25 36.7 Favored 'General case' 0 C--O 1.236 0.373 0 O-C-N 123.613 0.243 . . . . 0.0 110.872 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -129.71 150.65 50.93 Favored 'General case' 0 C--O 1.236 0.354 0 O-C-N 123.62 0.575 . . . . 0.0 110.939 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -97.07 -42.32 7.93 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.287 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 3.9 m -136.36 158.75 72.87 Favored Pre-proline 0 CA--C 1.545 0.752 0 O-C-N 123.333 0.396 . . . . 0.0 111.298 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 6.5 Cg_exo . . . . . 0 C--N 1.376 1.997 0 C-N-CA 122.548 2.166 . . . . 0.0 112.761 179.845 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 3.3 m . . . . . 0 N--CA 1.471 0.621 0 CA-C-O 120.469 0.176 . . . . 0.0 111.237 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 71.0 m -83.22 -23.44 32.79 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.79 179.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -95.81 -13.96 23.64 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.634 179.6 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -91.41 -22.18 20.59 Favored 'General case' 0 N--CA 1.47 0.549 0 O-C-N 123.478 0.486 . . . . 0.0 111.664 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 1.8 m -71.83 -37.41 61.75 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 N-CA-C 112.54 0.57 . . . . 0.0 112.54 -179.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -59.75 -43.27 98.0 Favored Glycine 0 C--N 1.343 0.965 0 O-C-N 123.427 0.454 . . . . 0.0 113.447 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -71.87 -35.53 69.83 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 122.606 0.362 . . . . 0.0 111.095 179.309 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.66 ' O ' HG12 ' A' ' 21' ' ' ILE . 66.1 mttm -70.26 -36.96 74.79 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.928 179.157 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 90.8 m -69.64 -36.67 76.32 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.743 178.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -69.36 -32.37 71.4 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.644 178.503 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -71.7 -38.16 70.58 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.315 178.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.66 HG12 ' O ' ' A' ' 17' ' ' LYS . 34.4 mm -73.12 -27.6 24.65 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 CA-C-N 116.143 -0.48 . . . . 0.0 109.904 178.59 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.04 -42.25 52.22 Favored Glycine 0 C--N 1.347 1.173 0 O-C-N 123.594 0.559 . . . . 0.0 112.298 178.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 7.8 p -71.14 -34.91 56.47 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.873 0 C-N-CA 122.4 0.28 . . . . 0.0 110.391 178.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.41 ' O ' ' HB2' ' A' ' 28' ' ' LEU . 96.9 mttt -72.33 -33.43 67.33 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.918 178.656 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.467 ' HB2' ' O ' ' A' ' 21' ' ' ILE . 2.5 tt -69.68 -39.19 77.12 Favored 'General case' 0 C--N 1.348 0.51 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.053 179.078 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 13.3 mt -69.66 -40.72 76.28 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.122 179.074 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 22.1 m80 -70.63 -31.44 68.39 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.997 178.69 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.479 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 5.2 tp -74.33 -31.42 62.44 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.935 179.092 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.422 ' HG3' ' O ' ' A' ' 25' ' ' LEU . 44.1 mt-10 -72.77 -40.07 66.27 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.893 179.01 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -69.52 -38.21 77.45 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.513 178.659 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -74.34 -25.63 59.65 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.103 178.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.479 ' HB2' ' O ' ' A' ' 28' ' ' LEU . 3.5 tt -73.53 -40.83 63.71 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.636 179.16 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.411 ' O ' ' HD1' ' A' ' 37' ' ' TYR . 4.7 tp -70.96 -39.14 72.73 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.55 178.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -72.09 -29.43 66.74 Favored Glycine 0 C--N 1.342 0.888 0 CA-C-N 115.697 -0.683 . . . . 0.0 113.078 179.04 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -81.31 -30.79 33.8 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 112.112 0.412 . . . . 0.0 112.112 179.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 43.2 mtt -80.91 -34.06 33.71 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 112.258 0.466 . . . . 0.0 112.258 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.411 ' HD1' ' O ' ' A' ' 33' ' ' LEU . 23.1 m-85 -81.16 -39.27 25.79 Favored 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 111.933 0.345 . . . . 0.0 111.933 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 54.4 m -86.74 -22.95 25.67 Favored 'General case' 0 N--CA 1.47 0.53 0 O-C-N 123.4 0.438 . . . . 0.0 111.947 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 3.9 t60 61.78 110.46 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 123.968 0.907 . . . . 0.0 111.512 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.417 ' CB ' HD12 ' A' ' 43' ' ' LEU . 7.0 m-20 -141.69 163.73 32.12 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.887 -179.788 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -104.07 -42.66 5.48 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.36 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.91 -37.41 84.31 Favored 'General case' 0 N--CA 1.473 0.716 0 N-CA-C 112.792 0.664 . . . . 0.0 112.792 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.483 ' O ' ' HB2' ' A' ' 47' ' ' LEU . 10.6 mt -71.47 -28.74 64.15 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 116.106 -0.497 . . . . 0.0 112.283 -179.42 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -75.65 -34.49 60.52 Favored 'General case' 0 N--CA 1.472 0.664 0 O-C-N 123.324 0.39 . . . . 0.0 111.422 179.412 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 54.9 mt-30 -72.13 -42.32 66.16 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.607 179.04 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 52.0 m -69.15 -33.92 74.19 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.053 178.448 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.483 ' HB2' ' O ' ' A' ' 43' ' ' LEU . 4.3 tp -70.49 -35.62 73.36 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.429 179.232 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 54.1 mt-30 -72.49 -39.86 67.35 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.5 179.596 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -71.58 -38.59 61.56 Favored Glycine 0 C--N 1.344 0.981 0 CA-C-N 116.046 -0.524 . . . . 0.0 112.553 179.39 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.576 ' O ' HG23 ' A' ' 54' ' ' VAL . 42.1 mt-10 -71.52 -35.91 70.86 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 122.758 0.423 . . . . 0.0 111.155 179.398 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.6 tt -71.36 -35.09 71.0 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.887 179.316 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 -73.6 -31.96 63.84 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.243 179.115 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 19.4 p -75.11 -35.37 61.73 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.633 179.149 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.576 HG23 ' O ' ' A' ' 50' ' ' GLU . 95.1 t -75.26 -33.83 29.3 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.246 178.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 14.0 ttpt -72.39 -37.1 68.8 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.07 179.185 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -72.91 -36.79 67.35 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.136 179.073 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 18.0 p -73.24 -31.56 64.19 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.168 179.061 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.7 tp -74.01 -37.28 64.43 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.574 179.202 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.523 ' O ' HG13 ' A' ' 62' ' ' ILE . 47.1 mt-30 -69.42 -37.88 77.62 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.739 178.646 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.63 -34.48 74.11 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.745 178.508 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . 0.474 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 68.7 mmm -66.09 -43.96 85.76 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.35 178.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.523 HG13 ' O ' ' A' ' 59' ' ' GLN . 1.4 pt -75.11 -23.75 17.4 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 O-C-N 123.576 0.548 . . . . 0.0 111.508 179.416 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.441 ' O ' HD23 ' A' ' 63' ' ' LEU . 2.7 tt -84.58 -19.66 32.72 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.867 178.807 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -87.96 -38.92 15.14 Favored 'General case' 0 N--CA 1.468 0.459 0 O-C-N 123.435 0.459 . . . . 0.0 112.167 179.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.474 ' HG ' ' O ' ' A' ' 61' ' ' MET . 3.1 pp . . . . . 0 N--CA 1.475 0.787 0 N-CA-C 112.108 0.41 . . . . 0.0 112.108 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 . . . . . 0 N--CA 1.468 0.438 0 CA-C-O 120.544 0.211 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -76.83 -29.54 55.96 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.612 179.617 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 16.0 mt -84.36 -26.51 28.37 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.772 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 63.5 mttm -69.33 -41.49 76.61 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 122.585 0.354 . . . . 0.0 111.954 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -64.74 -39.94 94.47 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 122.838 0.455 . . . . 0.0 111.728 179.61 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 47.5 tttt -74.58 -31.01 61.91 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.321 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -71.54 -37.68 71.1 Favored 'General case' 0 N--CA 1.469 0.516 0 O-C-N 123.446 0.466 . . . . 0.0 111.575 179.356 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -75.9 -35.23 59.88 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.513 179.355 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 52.4 m -70.24 -40.68 74.32 Favored 'General case' 0 N--CA 1.47 0.545 0 O-C-N 123.365 0.415 . . . . 0.0 111.418 179.266 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 22.2 mt -73.28 -36.11 66.26 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.113 179.293 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.403 ' O ' ' HG3' ' A' ' 114' ' ' GLN . . . -68.37 -35.19 77.36 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.131 179.149 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . 0.484 ' O ' ' HD2' ' A' ' 115' ' ' TYR . 95.0 mttt -73.92 -34.24 64.28 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.742 178.791 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.408 ' O ' ' HB2' ' A' ' 116' ' ' LEU . 42.8 mt-10 -71.26 -31.61 67.72 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.371 178.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 24.3 mt -78.23 -33.02 17.37 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 178.45 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . 0.403 ' HG3' ' O ' ' A' ' 110' ' ' ALA . 53.0 mt-30 -66.81 -39.67 87.8 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.601 178.398 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . 0.484 ' HD2' ' O ' ' A' ' 111' ' ' LYS . 17.8 m-85 -73.92 -35.8 64.64 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.195 178.157 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.408 ' HB2' ' O ' ' A' ' 112' ' ' GLU . 5.1 tp -68.49 -36.17 78.54 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.945 178.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -72.85 -38.5 67.04 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.041 179.25 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -69.14 -32.07 71.18 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.424 178.299 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.582 ' O ' HG22 ' A' ' 123' ' ' VAL . 16.2 mt -71.59 -42.85 67.22 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.361 179.586 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 2.1 pp -70.2 -33.42 54.58 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 O-C-N 123.336 0.398 . . . . 0.0 111.201 179.073 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -73.03 -31.23 64.32 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.514 179.012 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -74.33 -37.98 63.4 Favored 'General case' 0 N--CA 1.469 0.512 0 O-C-N 123.381 0.425 . . . . 0.0 111.667 179.477 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.582 HG22 ' O ' ' A' ' 119' ' ' LEU . 2.5 m -73.62 -34.25 41.13 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 O-C-N 123.244 0.34 . . . . 0.0 111.108 178.541 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -71.07 -38.51 72.45 Favored 'General case' 0 N--CA 1.472 0.634 0 O-C-N 123.543 0.527 . . . . 0.0 111.403 178.649 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -74.17 -34.81 63.93 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-N 116.05 -0.523 . . . . 0.0 112.138 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.55 0 CA-C-N 116.12 -0.491 . . . . 0.0 112.133 -179.791 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 10.9 p . . . . . 0 CA--C 1.545 0.778 0 CA-C-O 120.492 0.187 . . . . 0.0 110.845 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 58.2 m -88.09 -26.77 22.35 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.784 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -93.9 -14.54 25.93 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.946 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -90.57 -22.28 21.34 Favored 'General case' 0 N--CA 1.469 0.517 0 O-C-N 123.365 0.416 . . . . 0.0 111.774 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.3 m -74.32 -38.73 47.92 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.775 0 N-CA-C 112.413 0.523 . . . . 0.0 112.413 -179.709 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -66.88 -37.26 92.1 Favored Glycine 0 C--N 1.341 0.857 0 O-C-N 123.441 0.463 . . . . 0.0 113.636 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -76.68 -31.72 57.45 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 122.564 0.346 . . . . 0.0 111.525 179.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 64.6 mttm -76.17 -33.95 59.35 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.933 179.189 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 93.6 m -73.57 -39.47 64.65 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.73 178.719 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.556 ' O ' HG22 ' A' ' 23' ' ' VAL . 42.3 mt-10 -70.38 -36.32 74.05 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.426 179.06 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.97 -37.49 67.03 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.602 179.685 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.536 ' O ' ' HB2' ' A' ' 25' ' ' LEU . 3.0 tp -73.67 -27.61 23.34 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.776 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.421 178.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -73.04 -43.04 41.98 Favored Glycine 0 C--N 1.348 1.226 0 CA-C-N 115.837 -0.62 . . . . 0.0 112.487 178.661 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.556 HG22 ' O ' ' A' ' 19' ' ' GLU . 3.0 m -71.01 -36.52 63.84 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 CA-C-O 120.704 0.288 . . . . 0.0 111.186 178.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -69.34 -36.02 76.5 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.734 178.662 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.536 ' HB2' ' O ' ' A' ' 21' ' ' ILE . 0.2 OUTLIER -69.86 -35.38 74.65 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.86 179.014 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.63 -40.82 80.13 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.935 179.152 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 30.2 m80 -69.9 -32.67 71.12 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 116.009 -0.542 . . . . 0.0 111.131 178.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.497 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 21.0 mt -74.73 -29.79 61.29 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.187 178.794 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.416 ' HG3' ' O ' ' A' ' 25' ' ' LEU . 40.2 mt-10 -72.39 -41.48 66.26 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.865 179.098 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -69.63 -37.61 76.87 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.731 178.683 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -74.14 -25.0 59.5 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.059 178.752 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.497 ' HB2' ' O ' ' A' ' 28' ' ' LEU . 2.8 tt -75.28 -39.52 59.62 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.833 179.206 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.5 mp -71.91 -37.36 70.08 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.725 178.685 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -71.81 -32.58 63.76 Favored Glycine 0 C--N 1.343 0.959 0 CA-C-N 115.733 -0.667 . . . . 0.0 112.34 178.594 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -81.16 -24.72 37.36 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 122.787 0.435 . . . . 0.0 111.437 178.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 13.0 mtt -80.34 -32.48 37.84 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.607 179.47 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -78.18 -35.57 48.51 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.487 179.646 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 55.6 p -86.58 -27.85 23.65 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.763 179.741 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 3.8 t60 63.15 108.24 0.03 OUTLIER 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 124.067 0.947 . . . . 0.0 111.712 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -143.14 166.48 24.57 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.433 179.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -98.01 -40.22 8.56 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.571 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.02 -39.94 87.16 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 112.907 0.706 . . . . 0.0 112.907 -179.653 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 21.1 mt -70.15 -35.75 74.25 Favored 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 112.373 0.508 . . . . 0.0 112.373 -179.314 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -68.86 -34.22 75.09 Favored 'General case' 0 N--CA 1.471 0.62 0 O-C-N 123.245 0.341 . . . . 0.0 111.538 179.633 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -72.64 -40.23 66.55 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.635 178.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 52.1 m -69.14 -37.84 78.5 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.295 178.745 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 20.0 mt -70.81 -33.75 71.03 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.835 179.384 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 50.5 mt-30 -72.7 -39.21 67.17 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.501 179.462 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -71.62 -37.04 62.01 Favored Glycine 0 C--N 1.344 1.004 0 CA-C-N 116.109 -0.496 . . . . 0.0 112.633 179.107 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.518 ' O ' HG22 ' A' ' 54' ' ' VAL . 43.0 mt-10 -72.37 -35.52 68.5 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 122.859 0.463 . . . . 0.0 111.164 179.236 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.7 tt -71.81 -35.21 69.89 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.892 179.154 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -74.66 -31.44 61.94 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.064 179.068 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 17.6 p -74.49 -36.36 63.25 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.556 179.173 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.518 HG22 ' O ' ' A' ' 50' ' ' GLU . 10.6 m -74.65 -34.01 33.44 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 O-C-N 123.243 0.34 . . . . 0.0 110.955 178.844 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 55.0 tttt -71.07 -37.15 72.47 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.618 178.613 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -72.89 -33.57 66.11 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.097 178.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 12.3 p -73.48 -33.06 64.64 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.265 178.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.9 tt -72.5 -39.36 67.69 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.551 179.178 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.436 ' O ' HG13 ' A' ' 62' ' ' ILE . 54.3 mt-30 -69.4 -36.68 77.0 Favored 'General case' 0 N--CA 1.472 0.675 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.662 178.618 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.447 ' O ' ' HB2' ' A' ' 64' ' ' GLN . . . -70.12 -31.74 69.43 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.021 178.683 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 55.0 mmm -70.72 -43.1 69.65 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.514 179.059 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.436 HG13 ' O ' ' A' ' 59' ' ' GLN . 1.4 pt -75.67 -24.34 16.94 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 O-C-N 123.385 0.428 . . . . 0.0 111.851 179.222 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.6 tp -85.4 -24.74 27.38 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.292 179.404 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.447 ' HB2' ' O ' ' A' ' 60' ' ' ALA . 11.6 tt0 -89.25 -31.91 17.65 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.451 179.684 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 12.4 mt . . . . . 0 N--CA 1.469 0.481 0 O-C-N 123.322 0.389 . . . . 0.0 111.323 179.914 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 . . . . . 0 N--CA 1.471 0.589 0 N-CA-C 111.997 0.369 . . . . 0.0 111.997 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -76.92 -29.87 55.86 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 112.314 0.487 . . . . 0.0 112.314 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 11.9 mt -85.3 -26.93 26.3 Favored 'General case' 0 N--CA 1.47 0.572 0 O-C-N 123.347 0.404 . . . . 0.0 111.956 -179.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 63.9 mttm -74.81 -35.81 62.46 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 111.974 0.361 . . . . 0.0 111.974 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -64.51 -41.37 96.45 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 122.731 0.412 . . . . 0.0 111.645 179.675 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -78.77 -33.28 46.52 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.498 179.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -71.64 -38.05 70.79 Favored 'General case' 0 N--CA 1.47 0.555 0 O-C-N 123.466 0.479 . . . . 0.0 111.493 179.206 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -75.95 -38.48 57.52 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.738 179.507 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 66.4 m -70.37 -37.58 74.6 Favored 'General case' 0 N--CA 1.471 0.619 0 O-C-N 123.214 0.321 . . . . 0.0 111.189 179.368 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 3.6 tp -73.22 -37.03 66.55 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.82 179.372 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -68.35 -34.89 76.89 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.264 179.184 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -74.35 -33.37 63.1 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.954 178.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.438 ' O ' ' HB2' ' A' ' 116' ' ' LEU . 42.4 mt-10 -73.5 -31.25 63.63 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.623 178.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 26.7 mt -79.45 -33.09 15.08 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 178.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 52.2 mt-30 -69.06 -38.3 79.01 Favored 'General case' 0 N--CA 1.472 0.636 0 O-C-N 123.411 0.445 . . . . 0.0 110.319 178.262 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 13.5 t80 -73.8 -35.83 64.94 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.891 178.434 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.438 ' HB2' ' O ' ' A' ' 112' ' ' GLU . 7.3 tp -67.98 -38.18 82.4 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.798 178.739 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 92.4 mttt -70.33 -38.43 74.89 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.099 179.245 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -68.97 -31.59 70.56 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.226 178.442 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.578 ' O ' HG22 ' A' ' 123' ' ' VAL . 16.5 mt -71.46 -41.57 69.24 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.581 179.296 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 12.8 mt -70.13 -34.6 59.89 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 O-C-N 123.349 0.406 . . . . 0.0 110.371 179.161 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -73.0 -30.87 64.11 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.622 179.213 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -75.95 -35.87 59.52 Favored 'General case' 0 N--CA 1.47 0.537 0 O-C-N 123.399 0.437 . . . . 0.0 111.727 179.575 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.578 HG22 ' O ' ' A' ' 119' ' ' LEU . 3.6 m -75.82 -33.57 26.08 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 O-C-N 123.216 0.322 . . . . 0.0 110.896 178.672 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 37.9 ttt180 -71.06 -39.84 71.99 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.059 178.678 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -74.2 -35.35 63.94 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.992 179.666 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.551 0 CA-C-N 116.04 -0.527 . . . . 0.0 112.182 -179.859 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 3.2 m . . . . . 0 N--CA 1.472 0.655 0 CA-C-O 120.581 0.229 . . . . 0.0 111.246 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 71.8 m -83.8 -18.03 39.06 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.95 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -95.52 -19.72 19.6 Favored 'General case' 0 N--CA 1.466 0.357 0 O-C-N 123.328 0.392 . . . . 0.0 111.938 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -89.37 -22.07 22.78 Favored 'General case' 0 N--CA 1.469 0.512 0 O-C-N 123.292 0.37 . . . . 0.0 111.859 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.7 m -71.3 -39.36 72.38 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 N-CA-C 112.584 0.587 . . . . 0.0 112.584 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -67.34 -40.47 91.8 Favored Glycine 0 C--N 1.341 0.845 0 CA-C-N 116.133 -0.485 . . . . 0.0 113.703 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -73.29 -38.83 65.75 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 122.54 0.336 . . . . 0.0 111.194 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.646 ' O ' HG12 ' A' ' 21' ' ' ILE . 96.6 mttt -70.83 -34.56 71.82 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.131 179.371 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 48.9 t -71.43 -37.14 71.48 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.548 178.713 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.562 ' O ' HG22 ' A' ' 23' ' ' VAL . 41.0 mt-10 -69.89 -31.32 69.08 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.889 178.631 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.32 -40.04 67.77 Favored 'General case' 0 C--N 1.348 0.505 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.483 178.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.646 HG12 ' O ' ' A' ' 17' ' ' LYS . 40.8 mm -72.4 -27.44 26.24 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.901 178.51 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -71.93 -44.01 47.78 Favored Glycine 0 C--N 1.348 1.227 0 CA-C-N 116.019 -0.537 . . . . 0.0 112.563 178.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.562 HG22 ' O ' ' A' ' 19' ' ' GLU . 3.1 m -71.09 -35.09 57.38 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 CA-C-O 120.614 0.245 . . . . 0.0 111.231 179.144 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.481 ' O ' ' HB2' ' A' ' 28' ' ' LEU . 96.9 mttt -71.49 -33.59 69.4 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.921 178.855 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.475 ' HB2' ' O ' ' A' ' 21' ' ' ILE . 2.7 tt -70.02 -40.96 74.89 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.999 179.249 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 13.8 mt -67.54 -42.24 83.03 Favored 'General case' 0 N--CA 1.475 0.819 0 O-C-N 123.317 0.386 . . . . 0.0 111.228 179.362 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 20.5 m-70 -69.73 -31.39 69.36 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.072 178.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.481 ' HB2' ' O ' ' A' ' 24' ' ' LYS . 2.2 tp -74.44 -29.37 61.46 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.114 179.055 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.441 ' HG3' ' O ' ' A' ' 25' ' ' LEU . 43.8 mt-10 -73.74 -41.47 62.47 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.879 178.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -69.67 -36.85 76.38 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.922 178.703 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 18.7 mm-40 -74.18 -28.82 61.47 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.02 178.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.74 -38.46 67.41 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.108 179.165 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.459 ' O ' ' HD1' ' A' ' 37' ' ' TYR . 11.2 mt -71.0 -40.37 71.86 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.676 178.769 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -72.0 -27.2 70.86 Favored Glycine 0 C--N 1.343 0.96 0 CA-C-N 115.741 -0.663 . . . . 0.0 112.635 178.711 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -81.18 -30.09 34.46 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 122.721 0.408 . . . . 0.0 111.753 179.234 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 47.9 mtt -78.83 -36.27 42.81 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 116.251 -0.432 . . . . 0.0 112.164 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.459 ' HD1' ' O ' ' A' ' 33' ' ' LEU . 34.3 m-85 -81.1 -40.17 24.5 Favored 'General case' 0 N--CA 1.471 0.581 0 N-CA-C 112.149 0.426 . . . . 0.0 112.149 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 53.5 m -86.77 -20.74 27.17 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.979 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 69.9 m-70 62.52 113.05 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 123.847 0.859 . . . . 0.0 111.956 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -141.02 165.9 26.28 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.787 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -109.59 -39.72 5.07 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.465 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.85 -30.07 70.15 Favored 'General case' 0 N--CA 1.475 0.786 0 N-CA-C 112.898 0.703 . . . . 0.0 112.898 -179.747 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.1 mt -71.17 -28.72 64.45 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 112.411 0.523 . . . . 0.0 112.411 -179.56 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 32.9 m-85 -73.94 -36.02 64.61 Favored 'General case' 0 N--CA 1.472 0.642 0 O-C-N 123.283 0.364 . . . . 0.0 111.361 179.175 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 12.3 mm100 -71.64 -41.63 68.56 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.648 179.09 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 52.6 m -69.12 -32.35 71.67 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.875 178.461 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 5.8 tp -70.52 -37.1 74.06 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.191 179.117 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 12.2 mm100 -71.71 -39.95 69.83 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.565 179.708 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -71.67 -39.12 60.84 Favored Glycine 0 C--N 1.342 0.87 0 O-C-N 123.542 0.526 . . . . 0.0 113.011 179.468 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.509 ' O ' HG22 ' A' ' 54' ' ' VAL . 42.3 mt-10 -71.77 -35.68 70.14 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 122.741 0.417 . . . . 0.0 111.478 179.601 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.7 tp -72.44 -35.79 68.39 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.07 179.559 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -74.61 -30.66 61.75 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.253 179.077 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 16.5 p -75.14 -36.78 61.55 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.584 179.097 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.509 HG22 ' O ' ' A' ' 50' ' ' GLU . 13.3 m -74.74 -33.94 32.59 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 O-C-N 123.368 0.417 . . . . 0.0 110.878 178.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 54.6 tttt -71.37 -37.75 71.6 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.765 178.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -72.95 -33.81 66.12 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.038 178.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 12.1 p -75.08 -30.82 61.06 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.083 178.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.9 tt -73.16 -40.46 64.83 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.514 179.225 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -69.72 -38.98 77.11 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.913 178.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.467 ' O ' ' HB2' ' A' ' 64' ' ' GLN . . . -69.91 -30.75 68.24 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.161 178.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 3.1 mmm -71.19 -43.19 67.92 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.343 179.199 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.409 ' H ' HG13 ' A' ' 62' ' ' ILE . 2.1 pp -75.26 -24.55 17.58 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.641 179.582 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 2.9 tt -85.24 -24.44 27.79 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.159 179.051 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.467 ' HB2' ' O ' ' A' ' 60' ' ' ALA . 5.2 tt0 -89.01 -27.63 20.73 Favored 'General case' 0 CA--C 1.538 0.493 0 O-C-N 123.388 0.43 . . . . 0.0 111.609 179.792 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 21.0 mt . . . . . 0 N--CA 1.473 0.703 0 N-CA-C 112.334 0.494 . . . . 0.0 112.334 -179.993 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 . . . . . 0 N--CA 1.469 0.512 0 N-CA-C 111.85 0.315 . . . . 0.0 111.85 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -76.98 -31.45 56.53 Favored 'General case' 0 N--CA 1.471 0.61 0 O-C-N 123.424 0.453 . . . . 0.0 112.192 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 11.1 mt -86.3 -28.34 23.79 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.732 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -74.46 -38.58 62.9 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 122.687 0.395 . . . . 0.0 111.807 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -64.7 -39.69 94.09 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 122.792 0.437 . . . . 0.0 111.683 179.561 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.435 ' O ' ' HB2' ' A' ' 109' ' ' LEU . 97.1 mttt -78.07 -33.11 51.01 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.516 179.851 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -71.72 -40.15 69.63 Favored 'General case' 0 N--CA 1.469 0.512 0 O-C-N 123.318 0.386 . . . . 0.0 111.514 179.182 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -75.9 -34.8 59.96 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.793 179.427 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . 0.432 ' O ' ' HG3' ' A' ' 112' ' ' GLU . 15.8 t -72.41 -36.79 68.72 Favored 'General case' 0 N--CA 1.471 0.606 0 O-C-N 123.349 0.405 . . . . 0.0 111.122 179.259 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.435 ' HB2' ' O ' ' A' ' 105' ' ' LYS . 1.1 tt -73.74 -37.61 65.02 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.79 179.383 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.446 ' O ' ' HG3' ' A' ' 114' ' ' GLN . . . -69.11 -34.01 74.39 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.788 178.572 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . 0.461 ' O ' ' HD2' ' A' ' 115' ' ' TYR . 23.7 tttm -73.03 -33.61 65.83 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.418 178.754 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.432 ' HG3' ' O ' ' A' ' 108' ' ' SER . 40.7 mt-10 -68.01 -36.9 80.75 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.988 178.442 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 27.2 mt -73.41 -33.2 39.56 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.954 178.244 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . 0.446 ' HG3' ' O ' ' A' ' 110' ' ' ALA . 45.6 mt-30 -65.22 -37.41 87.19 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.653 178.355 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . 0.461 ' HD2' ' O ' ' A' ' 111' ' ' LYS . 14.7 m-85 -73.56 -35.82 65.54 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.307 177.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.637 ' O ' HG12 ' A' ' 120' ' ' ILE . 10.0 tp -68.09 -41.02 82.48 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 115.419 -0.809 . . . . 0.0 110.724 178.834 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -69.54 -36.24 76.19 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.934 179.171 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -68.8 -33.64 74.2 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.941 178.665 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.571 ' O ' HG22 ' A' ' 123' ' ' VAL . 12.2 mt -71.16 -38.68 72.19 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.393 179.411 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . 0.637 HG12 ' O ' ' A' ' 116' ' ' LEU . 41.5 mm -69.28 -36.21 71.37 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 O-C-N 123.463 0.477 . . . . 0.0 110.121 178.606 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -72.91 -28.99 62.78 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.521 179.029 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -76.12 -36.86 58.66 Favored 'General case' 0 N--CA 1.471 0.595 0 O-C-N 123.35 0.406 . . . . 0.0 111.643 179.456 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.571 HG22 ' O ' ' A' ' 119' ' ' LEU . 3.3 m -75.32 -33.82 29.0 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.775 0 O-C-N 123.248 0.342 . . . . 0.0 110.965 178.727 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 34.2 ttt180 -71.31 -39.84 71.18 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.048 178.721 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -74.28 -34.28 63.5 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-N 116.04 -0.527 . . . . 0.0 112.162 179.748 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.506 0 N-CA-C 112.249 0.463 . . . . 0.0 112.249 -179.715 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 3.2 m . . . . . 0 N--CA 1.472 0.66 0 CA-C-O 120.434 0.159 . . . . 0.0 111.36 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 13.9 t -83.69 -16.87 43.34 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 115.993 -0.548 . . . . 0.0 111.97 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -96.26 -23.22 16.79 Favored 'General case' 0 N--CA 1.468 0.475 0 O-C-N 123.316 0.385 . . . . 0.0 111.928 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -86.72 -22.05 26.25 Favored 'General case' 0 N--CA 1.471 0.624 0 O-C-N 123.373 0.421 . . . . 0.0 111.863 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.4 m -74.67 -37.71 43.65 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 N-CA-C 112.523 0.564 . . . . 0.0 112.523 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -59.12 -39.74 94.79 Favored Glycine 0 C--N 1.342 0.871 0 CA-C-N 116.16 -0.473 . . . . 0.0 113.975 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -75.66 -36.4 60.14 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 122.446 0.298 . . . . 0.0 111.497 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.443 ' HD3' ' SD ' ' A' ' 61' ' ' MET . 97.2 mttt -73.21 -34.3 65.86 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.082 179.402 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.497 ' O ' HG22 ' A' ' 21' ' ' ILE . 87.4 m -74.11 -36.45 64.22 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.844 178.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.566 ' O ' HG22 ' A' ' 23' ' ' VAL . 36.6 mt-10 -70.06 -34.86 73.75 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.916 178.544 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.49 -38.52 68.13 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.351 179.137 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.497 HG22 ' O ' ' A' ' 18' ' ' CYS . 1.5 tp -71.92 -28.44 30.2 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.879 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.437 178.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.52 -43.48 44.51 Favored Glycine 0 C--N 1.348 1.228 0 CA-C-N 115.608 -0.724 . . . . 0.0 112.54 178.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.566 HG22 ' O ' ' A' ' 19' ' ' GLU . 2.7 m -70.23 -34.08 57.25 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 CA-C-O 120.685 0.279 . . . . 0.0 110.992 178.841 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.405 ' O ' ' HB2' ' A' ' 28' ' ' LEU . 95.0 mttt -71.1 -33.53 70.25 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.789 178.388 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 10.3 tp -69.78 -40.22 76.17 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.16 178.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 14.5 mt -68.29 -42.59 79.28 Favored 'General case' 0 N--CA 1.474 0.728 0 O-C-N 123.309 0.381 . . . . 0.0 111.604 179.625 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 27.4 m-70 -69.69 -31.65 69.8 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.154 178.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.443 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 4.7 tp -74.74 -29.94 61.33 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.915 179.01 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.565 ' OE1' HD13 ' A' ' 113' ' ' ILE . 6.6 mm-40 -72.84 -41.1 65.18 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.978 179.123 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -69.8 -37.88 76.45 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.03 178.711 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -74.42 -27.18 60.51 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.519 179.084 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.443 ' HB2' ' O ' ' A' ' 28' ' ' LEU . 5.2 tt -73.92 -42.2 60.97 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.063 179.517 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 5.4 mt -72.53 -35.69 68.13 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.772 179.022 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -72.43 -31.04 63.72 Favored Glycine 0 C--N 1.343 0.963 0 CA-C-N 115.7 -0.682 . . . . 0.0 112.763 178.503 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -81.15 -30.19 34.52 Favored 'General case' 0 C--N 1.347 0.475 0 C-N-CA 122.603 0.361 . . . . 0.0 111.94 179.499 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 52.4 mtt -81.98 -30.08 31.82 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.975 179.756 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 10.7 t80 -81.15 -39.07 26.13 Favored 'General case' 0 N--CA 1.469 0.522 0 O-C-N 123.317 0.385 . . . . 0.0 111.343 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 52.4 m -86.49 -21.11 27.18 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.962 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 66.2 m80 61.56 110.29 0.02 OUTLIER 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 123.845 0.858 . . . . 0.0 111.897 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.404 ' CB ' HD12 ' A' ' 43' ' ' LEU . 6.7 m-20 -142.04 159.45 42.2 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.888 -179.806 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -97.89 -40.59 8.43 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.68 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.64 -36.36 82.39 Favored 'General case' 0 N--CA 1.475 0.794 0 N-CA-C 112.612 0.597 . . . . 0.0 112.612 -179.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.446 ' O ' ' HB2' ' A' ' 47' ' ' LEU . 7.0 mt -68.88 -28.3 66.57 Favored 'General case' 0 N--CA 1.472 0.625 0 CA-C-N 116.05 -0.523 . . . . 0.0 112.161 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 9.6 t80 -67.35 -41.07 85.78 Favored 'General case' 0 N--CA 1.472 0.656 0 O-C-N 123.263 0.352 . . . . 0.0 111.118 179.554 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -71.79 -38.82 70.23 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.549 178.779 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 53.2 m -69.19 -34.09 74.37 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.92 178.316 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.446 ' HB2' ' O ' ' A' ' 43' ' ' LEU . 3.7 tp -70.74 -35.96 72.91 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.298 179.16 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -71.14 -40.63 71.25 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.488 179.553 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -71.06 -39.19 63.38 Favored Glycine 0 C--N 1.344 1.016 0 CA-C-N 116.126 -0.488 . . . . 0.0 112.593 179.258 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.607 ' O ' HG23 ' A' ' 54' ' ' VAL . 42.3 mt-10 -70.54 -35.75 73.3 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 122.738 0.415 . . . . 0.0 111.049 179.231 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.417 ' HB2' ' O ' ' A' ' 47' ' ' LEU . 2.7 tt -70.35 -35.11 73.36 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.777 179.179 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -72.35 -33.51 67.33 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.292 178.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 18.9 p -73.79 -34.76 64.77 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.534 179.016 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.607 HG23 ' O ' ' A' ' 50' ' ' GLU . 87.7 t -73.63 -34.53 41.89 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.254 179.002 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 75.0 mttt -73.59 -35.02 65.35 Favored 'General case' 0 N--CA 1.471 0.583 0 O-C-N 123.354 0.409 . . . . 0.0 111.303 178.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -73.05 -34.13 66.1 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.292 178.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 18.2 p -73.48 -36.51 65.84 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.094 178.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.3 tt -70.61 -38.42 73.97 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.775 179.051 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.55 ' OE1' HD11 ' A' ' 62' ' ' ILE . 0.7 OUTLIER -69.6 -37.35 76.85 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.734 178.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.436 ' O ' ' HB2' ' A' ' 64' ' ' GLN . . . -69.85 -31.33 69.11 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.039 178.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . 0.443 ' SD ' ' HD3' ' A' ' 17' ' ' LYS . 53.2 mmm -71.1 -44.55 65.43 Favored 'General case' 0 C--N 1.347 0.463 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.517 178.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.55 HD11 ' OE1' ' A' ' 59' ' ' GLN . 1.7 pt -75.56 -22.48 16.36 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 CA-C-N 116.177 -0.465 . . . . 0.0 112.023 179.539 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 2.7 tt -86.64 -26.1 24.54 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.149 179.341 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.436 ' HB2' ' O ' ' A' ' 60' ' ' ALA . 5.0 tt0 -88.21 -29.31 20.57 Favored 'General case' 0 N--CA 1.469 0.484 0 O-C-N 123.297 0.373 . . . . 0.0 111.578 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 18.5 mt . . . . . 0 N--CA 1.469 0.52 0 N-CA-C 111.982 0.364 . . . . 0.0 111.982 -180.0 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 . . . . . 0 N--CA 1.468 0.466 0 N-CA-C 112.1 0.407 . . . . 0.0 112.1 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -65.08 -36.04 83.04 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 112.908 0.707 . . . . 0.0 112.908 -179.311 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.452 ' H ' HD23 ' A' ' 102' ' ' LEU . 0.4 OUTLIER -86.39 -26.74 24.61 Favored 'General case' 0 N--CA 1.473 0.694 0 O-C-N 123.366 0.416 . . . . 0.0 111.888 179.851 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -72.27 -32.84 66.99 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 122.72 0.408 . . . . 0.0 111.852 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -64.71 -41.62 95.86 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 122.841 0.457 . . . . 0.0 111.824 179.569 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.447 ' O ' HD23 ' A' ' 109' ' ' LEU . 12.1 mptt -78.72 -33.35 46.82 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.581 179.81 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -71.57 -38.63 70.92 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.469 179.119 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . 0.442 ' OD2' ' HE3' ' A' ' 111' ' ' LYS . 2.6 t70 -75.87 -37.46 58.88 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.348 179.472 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 16.4 t -70.32 -39.17 74.92 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.072 179.358 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.447 HD23 ' O ' ' A' ' 105' ' ' LYS . 3.7 mm? -72.23 -36.46 69.12 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.109 179.332 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -68.94 -35.19 76.5 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.196 179.086 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . 0.442 ' HE3' ' OD2' ' A' ' 107' ' ' ASP . 95.7 mttt -74.85 -31.34 61.62 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.896 178.849 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -73.5 -32.76 64.45 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.529 178.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.565 HD13 ' OE1' ' A' ' 29' ' ' GLU . 21.7 mt -78.98 -33.09 15.77 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 178.721 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -68.77 -37.65 79.49 Favored 'General case' 0 N--CA 1.472 0.665 0 O-C-N 123.344 0.402 . . . . 0.0 110.353 178.129 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 13.2 t80 -74.13 -35.74 64.13 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.886 178.404 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 7.7 tp -67.97 -34.83 77.3 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.671 178.64 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . 0.517 ' O ' HG13 ' A' ' 120' ' ' ILE . 36.3 tttt -72.95 -39.25 66.36 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.762 179.326 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . 0.491 ' O ' ' HB2' ' A' ' 122' ' ' GLU . 18.0 m-20 -69.32 -29.26 67.05 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.209 177.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.569 ' O ' HG22 ' A' ' 123' ' ' VAL . 13.8 mt -72.62 -42.76 64.11 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.406 179.279 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . 0.517 HG13 ' O ' ' A' ' 117' ' ' LYS . 1.3 pp -70.15 -35.55 63.97 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 O-C-N 123.353 0.408 . . . . 0.0 111.034 178.856 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -73.07 -29.21 62.79 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.373 178.753 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . 0.491 ' HB2' ' O ' ' A' ' 118' ' ' ASP . 11.0 tt0 -75.79 -37.62 59.01 Favored 'General case' 0 C--N 1.348 0.515 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.354 179.778 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.569 HG22 ' O ' ' A' ' 119' ' ' LEU . 3.1 m -74.37 -33.16 32.91 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 O-C-N 123.3 0.375 . . . . 0.0 110.833 178.64 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . 0.405 HH21 ' HB3' ' A' ' 18' ' ' CYS . 47.3 mtt180 -70.57 -40.48 73.3 Favored 'General case' 0 C--N 1.348 0.512 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.254 178.348 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -74.44 -33.49 62.94 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 115.937 -0.574 . . . . 0.0 112.074 179.66 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.589 0 CA-C-N 116.071 -0.513 . . . . 0.0 112.318 -179.662 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.8 m . . . . . 0 N--CA 1.473 0.715 0 CA-C-O 120.432 0.158 . . . . 0.0 111.276 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 14.8 t -86.48 -12.84 47.82 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.763 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -97.36 -17.39 19.76 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.665 179.762 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -91.26 -22.04 20.79 Favored 'General case' 0 N--CA 1.47 0.536 0 O-C-N 123.37 0.419 . . . . 0.0 111.703 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.7 m -67.02 -39.04 82.51 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 N-CA-C 112.717 0.636 . . . . 0.0 112.717 -179.728 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -64.98 -41.4 97.33 Favored Glycine 0 C--N 1.342 0.91 0 O-C-N 123.459 0.474 . . . . 0.0 113.771 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -74.7 -34.66 62.67 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 122.521 0.329 . . . . 0.0 111.42 179.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -74.16 -33.87 63.63 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.919 179.118 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.404 ' HA ' HG22 ' A' ' 21' ' ' ILE . 38.0 t -72.24 -38.61 68.88 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.895 178.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -70.38 -37.24 74.5 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.488 179.138 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -71.91 -38.79 69.87 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.539 179.582 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.404 HG22 ' HA ' ' A' ' 18' ' ' CYS . 1.2 tt -71.85 -29.13 32.46 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.815 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.377 179.077 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -71.89 -41.36 55.63 Favored Glycine 0 C--N 1.349 1.269 0 CA-C-N 115.837 -0.62 . . . . 0.0 112.271 178.629 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 9.2 p -70.92 -32.09 47.51 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.873 0 CA-C-O 120.652 0.263 . . . . 0.0 110.547 178.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -70.54 -38.42 74.2 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 115.802 -0.636 . . . . 0.0 111.138 178.707 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.419 ' O ' ' HG3' ' A' ' 29' ' ' GLU . 21.5 mt -69.75 -38.47 76.82 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.543 179.414 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 13.3 mt -68.45 -38.36 81.07 Favored 'General case' 0 N--CA 1.471 0.601 0 O-C-N 123.271 0.357 . . . . 0.0 111.224 179.01 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 5.0 t-80 -69.45 -34.51 74.5 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.885 179.025 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.431 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 23.2 mt -74.76 -29.03 61.0 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.205 178.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.419 ' HG3' ' O ' ' A' ' 25' ' ' LEU . 40.9 mt-10 -71.18 -41.14 70.7 Favored 'General case' 0 C--N 1.348 0.509 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.755 178.856 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -69.73 -37.71 76.61 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.75 178.352 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -74.16 -24.24 59.37 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.137 178.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.476 ' O ' ' HB2' ' A' ' 36' ' ' MET . 3.3 tp -76.26 -40.41 51.94 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.695 179.255 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.453 ' O ' ' HD1' ' A' ' 37' ' ' TYR . 4.7 tp -70.3 -38.97 75.11 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.624 178.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -72.05 -34.07 61.95 Favored Glycine 0 C--N 1.343 0.97 0 CA-C-N 115.694 -0.685 . . . . 0.0 112.975 179.044 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -81.35 -23.3 37.84 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 112.271 0.471 . . . . 0.0 112.271 179.557 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.476 ' HB2' ' O ' ' A' ' 32' ' ' LEU . 7.9 ttt -83.2 -38.03 22.83 Favored 'General case' 0 N--CA 1.47 0.561 0 O-C-N 123.251 0.344 . . . . 0.0 111.767 -179.786 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.453 ' HD1' ' O ' ' A' ' 33' ' ' LEU . 34.7 m-85 -81.18 -35.93 30.8 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 112.271 0.471 . . . . 0.0 112.271 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 52.4 m -86.48 -20.24 28.37 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 112.1 0.407 . . . . 0.0 112.1 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 66.8 m80 62.01 112.23 0.02 OUTLIER 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 123.819 0.848 . . . . 0.0 111.859 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.4 ' CB ' HD12 ' A' ' 43' ' ' LEU . 3.4 t70 -140.4 176.18 8.99 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.54 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -120.36 -43.53 2.51 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.257 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.98 -36.19 81.64 Favored 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 112.942 0.719 . . . . 0.0 112.942 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.4 HD12 ' CB ' ' A' ' 40' ' ' ASP . 13.2 mt -69.63 -32.39 71.05 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 112.357 0.503 . . . . 0.0 112.357 -179.39 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -68.96 -32.09 71.43 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 122.419 0.287 . . . . 0.0 111.591 179.608 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -76.17 -40.95 51.23 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.235 178.612 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 16.7 t -69.1 -37.91 78.66 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.841 178.589 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 15.6 mt -70.74 -36.71 73.29 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.58 179.187 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -67.75 -40.82 84.07 Favored 'General case' 0 N--CA 1.472 0.63 0 O-C-N 123.515 0.509 . . . . 0.0 111.227 179.614 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -71.26 -36.63 63.53 Favored Glycine 0 C--N 1.342 0.887 0 CA-C-N 115.981 -0.554 . . . . 0.0 112.64 179.094 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.602 ' O ' HG23 ' A' ' 54' ' ' VAL . 42.5 mt-10 -71.8 -37.32 70.42 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 122.721 0.408 . . . . 0.0 111.177 179.344 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 20.5 mt -70.55 -34.82 72.67 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.103 179.138 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -71.74 -35.14 70.05 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.071 179.01 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 19.6 p -72.74 -35.05 67.43 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.716 179.226 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.602 HG23 ' O ' ' A' ' 50' ' ' GLU . 80.2 t -74.48 -33.89 34.23 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.279 178.863 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -71.93 -35.81 69.76 Favored 'General case' 0 N--CA 1.471 0.622 0 O-C-N 123.396 0.435 . . . . 0.0 111.216 179.116 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -72.83 -38.88 66.99 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.055 179.086 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 19.1 p -72.56 -31.2 65.07 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.024 178.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.449 ' HB2' ' O ' ' A' ' 54' ' ' VAL . 2.8 tt -71.87 -38.31 70.07 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.567 179.046 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -69.28 -38.61 78.43 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.881 178.755 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.9 -31.32 69.04 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.253 178.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 80.0 mtp -71.5 -41.72 68.93 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.577 179.187 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 2.1 pp -75.56 -26.58 18.35 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 O-C-N 123.379 0.424 . . . . 0.0 111.847 179.592 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.4 tp -83.1 -27.31 30.28 Favored 'General case' 0 CA--C 1.538 0.494 0 O-C-N 123.5 0.5 . . . . 0.0 111.269 179.442 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 -86.78 -30.63 21.42 Favored 'General case' 0 N--CA 1.468 0.47 0 O-C-N 123.346 0.404 . . . . 0.0 111.882 179.719 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 16.7 mt . . . . . 0 N--CA 1.468 0.452 0 O-C-N 123.216 0.322 . . . . 0.0 111.492 -179.761 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 . . . . . 0 N--CA 1.467 0.397 0 CA-C-O 120.336 0.112 . . . . 0.0 111.228 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -76.8 -29.63 56.09 Favored 'General case' 0 N--CA 1.47 0.551 0 O-C-N 123.52 0.512 . . . . 0.0 111.727 179.611 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 12.4 mt -82.95 -26.67 31.15 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.88 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -72.67 -34.82 67.49 Favored 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 112.165 0.431 . . . . 0.0 112.165 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -64.78 -44.24 90.64 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 122.807 0.443 . . . . 0.0 111.729 179.691 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.503 ' O ' HD23 ' A' ' 109' ' ' LEU . 58.7 mttp -75.84 -33.95 60.07 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.381 179.76 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -71.59 -34.93 70.32 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.573 179.182 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -75.88 -38.17 58.14 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.409 179.663 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 51.4 m -68.82 -40.63 79.41 Favored 'General case' 0 N--CA 1.471 0.603 0 O-C-N 123.3 0.375 . . . . 0.0 111.433 179.425 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.503 HD23 ' O ' ' A' ' 105' ' ' LYS . 4.3 mm? -73.02 -36.32 66.95 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.316 179.34 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.414 ' O ' ' HG3' ' A' ' 114' ' ' GLN . . . -68.46 -34.8 76.59 Favored 'General case' 0 N--CA 1.471 0.582 0 O-C-N 123.393 0.433 . . . . 0.0 111.294 179.27 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . 0.476 ' O ' ' HD1' ' A' ' 115' ' ' TYR . 21.7 mmtp -73.36 -35.95 66.05 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.795 178.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.48 ' O ' ' HB2' ' A' ' 116' ' ' LEU . 44.5 mt-10 -70.5 -31.2 68.2 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.288 178.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 29.0 mt -77.97 -32.89 17.84 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 178.435 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . 0.414 ' HG3' ' O ' ' A' ' 110' ' ' ALA . 53.1 mt-30 -67.24 -39.61 86.21 Favored 'General case' 0 N--CA 1.472 0.637 0 O-C-N 123.382 0.426 . . . . 0.0 110.82 178.556 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . 0.476 ' HD1' ' O ' ' A' ' 111' ' ' LYS . 23.4 m-85 -74.31 -35.82 63.68 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.03 178.139 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.628 ' O ' HG12 ' A' ' 120' ' ' ILE . 4.8 tp -68.05 -40.06 82.88 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 115.305 -0.861 . . . . 0.0 110.708 178.801 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -71.16 -33.46 70.03 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.813 179.027 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -68.67 -34.55 75.87 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.68 178.203 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 12.5 mt -72.03 -36.78 69.77 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.3 179.017 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . 0.628 HG12 ' O ' ' A' ' 116' ' ' LEU . 46.6 mm -69.67 -35.52 66.14 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 O-C-N 123.398 0.436 . . . . 0.0 110.18 178.384 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -72.89 -32.2 65.2 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.367 179.117 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -75.5 -33.02 60.73 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.557 179.468 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 10.0 p -76.93 -34.43 22.25 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.775 0 O-C-N 123.327 0.392 . . . . 0.0 110.45 178.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -71.06 -38.03 72.49 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.153 178.453 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 53.8 tttt -74.03 -38.24 64.09 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.637 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.489 0 CA-C-N 116.152 -0.476 . . . . 0.0 112.184 -179.923 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.6 m . . . . . 0 N--CA 1.474 0.728 0 CA-C-O 120.405 0.145 . . . . 0.0 111.27 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 14.9 t -89.54 -15.25 33.34 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.738 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -96.65 -14.45 22.12 Favored 'General case' 0 C--O 1.236 0.37 0 O-C-N 123.239 0.337 . . . . 0.0 111.826 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -93.04 -22.28 19.23 Favored 'General case' 0 N--CA 1.468 0.468 0 O-C-N 123.355 0.409 . . . . 0.0 111.848 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.7 m -66.04 -39.81 85.53 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.951 0 N-CA-C 112.789 0.663 . . . . 0.0 112.789 -179.648 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -70.68 -40.53 65.76 Favored Glycine 0 C--N 1.343 0.943 0 CA-C-N 116.185 -0.461 . . . . 0.0 113.389 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -73.58 -35.3 65.42 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 122.61 0.364 . . . . 0.0 111.581 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.669 ' O ' HG12 ' A' ' 21' ' ' ILE . 92.5 mttt -71.76 -36.62 70.44 Favored 'General case' 0 N--CA 1.469 0.521 0 O-C-N 123.476 0.485 . . . . 0.0 111.225 179.328 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 89.4 m -72.08 -36.86 69.63 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.008 179.099 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.559 ' O ' HG22 ' A' ' 23' ' ' VAL . 41.6 mt-10 -70.03 -34.3 73.09 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.464 178.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.81 -41.19 65.16 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.789 179.608 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.669 HG12 ' O ' ' A' ' 17' ' ' LYS . 32.2 mm -72.4 -27.19 25.63 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 N-CA-C 109.811 -0.441 . . . . 0.0 109.811 178.727 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -70.34 -44.95 57.48 Favored Glycine 0 C--N 1.348 1.25 0 O-C-N 123.594 0.559 . . . . 0.0 112.34 178.557 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.559 HG22 ' O ' ' A' ' 19' ' ' GLU . 3.1 m -71.31 -33.04 49.0 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 CA-C-O 120.665 0.269 . . . . 0.0 111.254 179.018 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.456 ' O ' ' HB2' ' A' ' 28' ' ' LEU . 96.6 mttt -73.57 -33.48 64.68 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.911 178.735 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.46 ' HB2' ' O ' ' A' ' 21' ' ' ILE . 4.8 tp -69.78 -40.64 75.92 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.9 178.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.6 mt -68.9 -40.47 79.11 Favored 'General case' 0 N--CA 1.473 0.686 0 O-C-N 123.392 0.433 . . . . 0.0 110.995 179.104 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 5.0 t-80 -70.11 -31.59 69.22 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.623 178.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.488 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 3.6 tp -74.86 -29.25 60.97 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.775 178.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.432 ' HG3' ' O ' ' A' ' 25' ' ' LEU . 41.2 mt-10 -72.74 -41.11 65.49 Favored 'General case' 0 N--CA 1.47 0.56 0 O-C-N 123.471 0.482 . . . . 0.0 110.829 178.823 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -69.35 -37.47 77.67 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.596 178.533 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -74.21 -26.2 60.12 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.965 178.581 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.488 ' HB2' ' O ' ' A' ' 28' ' ' LEU . 3.3 tt -72.49 -40.82 66.6 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.68 179.163 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.434 ' O ' ' HD2' ' A' ' 37' ' ' TYR . 4.9 tp -70.67 -39.9 73.28 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.439 178.831 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -72.04 -26.88 71.42 Favored Glycine 0 C--N 1.343 0.924 0 CA-C-N 115.713 -0.676 . . . . 0.0 112.949 178.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -81.15 -33.07 33.39 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 122.68 0.392 . . . . 0.0 111.993 179.572 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 47.8 mtt -79.91 -33.45 39.81 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 112.286 0.476 . . . . 0.0 112.286 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.434 ' HD2' ' O ' ' A' ' 33' ' ' LEU . 24.4 m-85 -81.17 -41.6 22.13 Favored 'General case' 0 N--CA 1.472 0.635 0 O-C-N 123.291 0.369 . . . . 0.0 111.886 179.719 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 14.1 t -86.81 -18.4 31.1 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.82 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 72.5 m-70 62.62 113.67 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 123.889 0.876 . . . . 0.0 111.876 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -140.97 167.96 20.93 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.88 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -114.95 -41.38 3.36 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.382 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.95 -30.56 70.72 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 112.826 0.676 . . . . 0.0 112.826 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.472 ' O ' ' HB2' ' A' ' 47' ' ' LEU . 3.6 mt -69.95 -28.48 65.6 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 112.594 0.591 . . . . 0.0 112.594 -179.675 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 45.3 m-85 -74.24 -35.79 63.86 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 122.41 0.284 . . . . 0.0 111.517 179.287 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 13.7 tt0 -72.14 -41.65 66.91 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.515 179.27 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 54.2 m -69.1 -33.71 73.93 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.052 178.675 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.472 ' HB2' ' O ' ' A' ' 43' ' ' LEU . 2.2 tt -70.75 -36.23 73.02 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.128 179.244 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 54.3 mt-30 -71.42 -38.98 71.37 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.403 179.513 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -71.32 -36.38 63.37 Favored Glycine 0 C--N 1.344 0.981 0 CA-C-N 116.059 -0.519 . . . . 0.0 112.62 179.181 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.554 ' O ' HG23 ' A' ' 54' ' ' VAL . 42.2 mt-10 -72.03 -35.97 69.52 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 122.717 0.407 . . . . 0.0 111.093 179.247 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.8 tp -71.32 -34.98 71.05 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.79 179.2 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 54.1 mt-30 -72.97 -33.01 65.6 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.22 178.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 19.6 p -74.52 -34.59 63.06 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.494 179.12 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.554 HG23 ' O ' ' A' ' 50' ' ' GLU . 97.3 t -74.83 -34.04 32.25 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 O-C-N 123.373 0.421 . . . . 0.0 110.271 178.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -72.69 -36.71 67.93 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.238 179.081 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -73.12 -36.01 66.64 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.259 179.07 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 18.4 p -74.06 -33.23 63.62 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.09 178.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.7 tp -71.85 -39.39 69.75 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.523 179.236 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.417 ' O ' HG13 ' A' ' 62' ' ' ILE . 47.1 mt-30 -69.76 -37.83 76.54 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.993 178.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.98 -31.04 68.53 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 115.723 -0.672 . . . . 0.0 111.236 178.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . 0.524 ' O ' ' HB2' ' A' ' 65' ' ' LEU . 4.6 tmm? -72.1 -43.72 64.33 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.994 179.223 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.417 HG13 ' O ' ' A' ' 59' ' ' GLN . 1.4 pt -75.31 -22.64 16.7 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 O-C-N 123.355 0.409 . . . . 0.0 111.644 179.247 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.4 ' HB2' ' O ' ' A' ' 59' ' ' GLN . 4.9 tp -80.66 -32.78 35.98 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.47 178.821 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -88.82 -17.35 29.91 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.082 178.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.524 ' HB2' ' O ' ' A' ' 61' ' ' MET . 2.8 tt . . . . . 0 N--CA 1.47 0.561 0 C-N-CA 122.969 0.508 . . . . 0.0 111.455 179.506 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 . . . . . 0 N--CA 1.49 1.539 0 N-CA-C 112.809 0.67 . . . . 0.0 112.809 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -76.97 -30.42 55.97 Favored 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 112.211 0.449 . . . . 0.0 112.211 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 13.1 mt -86.28 -30.23 22.45 Favored 'General case' 0 N--CA 1.471 0.622 0 O-C-N 123.425 0.453 . . . . 0.0 111.597 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -74.14 -39.78 63.07 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 122.675 0.39 . . . . 0.0 111.723 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -64.68 -39.12 93.13 Favored 'General case' 0 N--CA 1.474 0.742 0 O-C-N 123.421 0.451 . . . . 0.0 111.659 179.507 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -76.11 -35.86 59.13 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.544 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -71.41 -38.29 71.45 Favored 'General case' 0 N--CA 1.47 0.552 0 O-C-N 123.473 0.483 . . . . 0.0 111.561 179.495 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -75.65 -33.46 60.46 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.624 179.384 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 57.9 m -71.66 -39.16 70.51 Favored 'General case' 0 N--CA 1.47 0.558 0 O-C-N 123.188 0.305 . . . . 0.0 111.227 179.306 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 21.7 mt -72.82 -37.59 67.44 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.206 179.344 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -69.47 -34.71 74.77 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.392 179.195 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . 0.462 ' O ' ' HD2' ' A' ' 115' ' ' TYR . 93.4 mttt -74.99 -32.24 61.62 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.902 179.018 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -73.25 -32.7 64.87 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.404 178.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 27.1 mt -78.62 -33.01 16.5 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 178.575 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -69.59 -36.69 76.46 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.809 178.565 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . 0.462 ' HD2' ' O ' ' A' ' 111' ' ' LYS . 9.5 m-85 -75.55 -35.89 60.56 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.25 177.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 9.8 tp -70.34 -39.46 74.68 Favored 'General case' 0 C--O 1.239 0.529 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.913 179.107 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 92.5 mttt -72.38 -36.07 68.62 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.806 179.181 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -69.26 -33.55 73.41 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.067 178.715 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.576 ' O ' HG23 ' A' ' 123' ' ' VAL . 17.7 mt -70.82 -43.71 68.02 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.381 179.549 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . 0.457 ' O ' ' HB2' ' A' ' 124' ' ' ARG . 1.9 pp -70.59 -30.75 43.78 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 O-C-N 123.222 0.326 . . . . 0.0 111.29 179.174 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -73.22 -33.06 65.13 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.452 178.593 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -73.78 -39.02 64.48 Favored 'General case' 0 N--CA 1.472 0.671 0 O-C-N 123.389 0.43 . . . . 0.0 111.501 179.64 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.576 HG23 ' O ' ' A' ' 119' ' ' LEU . 22.2 t -73.7 -34.74 42.01 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 CA-C-N 116.327 -0.397 . . . . 0.0 109.979 178.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . 0.457 ' HB2' ' O ' ' A' ' 120' ' ' ILE . 38.7 ttt180 -70.95 -40.39 72.04 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.203 179.048 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -74.2 -30.25 62.12 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.95 179.614 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.538 0 O-C-N 123.419 0.449 . . . . 0.0 112.089 179.974 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 10.0 m . . . . . 0 CA--C 1.542 0.671 0 CA-C-O 121.219 0.533 . . . . 0.0 111.185 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 15.2 t -128.07 -39.64 1.73 Allowed 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.4 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -92.71 -21.97 19.67 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 116.27 -0.423 . . . . 0.0 112.095 -179.741 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -91.55 -22.41 20.36 Favored 'General case' 0 N--CA 1.468 0.438 0 O-C-N 123.267 0.354 . . . . 0.0 111.865 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.0 m -77.49 -40.84 29.02 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 N-CA-C 112.367 0.506 . . . . 0.0 112.367 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.539 ' O ' ' HB2' ' A' ' 19' ' ' GLU . . . -68.77 -36.82 83.28 Favored Glycine 0 C--N 1.342 0.874 0 CA-C-N 116.187 -0.46 . . . . 0.0 113.847 -179.512 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -75.26 -39.59 59.66 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 122.468 0.307 . . . . 0.0 111.665 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.663 ' O ' HG12 ' A' ' 21' ' ' ILE . 66.6 mttm -71.24 -37.94 71.97 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.18 179.574 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 99.5 m -72.51 -33.11 66.68 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.665 178.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.563 ' O ' HG22 ' A' ' 23' ' ' VAL . 9.0 tt0 -69.93 -33.88 72.73 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.717 178.59 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.15 -39.97 68.37 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.475 178.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.663 HG12 ' O ' ' A' ' 17' ' ' LYS . 33.5 mm -71.94 -27.37 27.29 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.98 178.563 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.35 -44.38 42.71 Favored Glycine 0 C--N 1.346 1.087 0 CA-C-N 116.09 -0.504 . . . . 0.0 112.576 178.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.563 HG22 ' O ' ' A' ' 19' ' ' GLU . 3.0 m -71.16 -34.02 53.19 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 CA-C-O 120.652 0.263 . . . . 0.0 111.295 179.22 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.417 ' O ' ' HB2' ' A' ' 28' ' ' LEU . 96.8 mttt -72.62 -33.51 66.7 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.86 178.816 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.451 ' HB2' ' O ' ' A' ' 21' ' ' ILE . 4.5 tp -70.11 -39.96 75.17 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 123.01 0.524 . . . . 0.0 111.084 179.162 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.9 mt -69.32 -41.01 77.27 Favored 'General case' 0 N--CA 1.473 0.699 0 O-C-N 123.396 0.435 . . . . 0.0 111.334 179.351 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 18.0 m-70 -70.91 -31.48 68.12 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.213 178.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.519 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 4.6 tp -74.83 -31.75 61.75 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.968 179.152 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -72.4 -40.74 66.97 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.943 179.16 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -69.7 -38.25 76.89 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.378 178.673 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -74.2 -24.38 59.34 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.215 178.713 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.534 ' O ' ' HB2' ' A' ' 36' ' ' MET . 2.4 tt -75.64 -39.67 57.42 Favored 'General case' 0 N--CA 1.471 0.599 0 O-C-N 123.49 0.494 . . . . 0.0 110.663 179.214 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.456 ' O ' ' HD1' ' A' ' 37' ' ' TYR . 5.6 tp -70.36 -40.75 73.87 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.39 178.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -70.27 -33.44 68.8 Favored Glycine 0 C--N 1.342 0.904 0 CA-C-N 115.616 -0.72 . . . . 0.0 112.663 179.112 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -81.3 -23.3 37.97 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 122.607 0.363 . . . . 0.0 111.725 179.274 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.534 ' HB2' ' O ' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -80.01 -34.89 38.05 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.759 179.853 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.456 ' HD1' ' O ' ' A' ' 33' ' ' LEU . 20.6 m-85 -79.51 -36.81 37.97 Favored 'General case' 0 N--CA 1.471 0.618 0 O-C-N 123.489 0.493 . . . . 0.0 112.055 179.722 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 80.4 p -86.49 -26.24 24.71 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 112.066 0.395 . . . . 0.0 112.066 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 71.3 m-70 63.79 111.64 0.03 OUTLIER 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 123.898 0.879 . . . . 0.0 111.789 -179.645 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -140.3 165.01 28.55 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.863 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -102.57 -40.71 6.53 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.553 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.78 -35.04 79.16 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 112.837 0.68 . . . . 0.0 112.837 -179.644 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.439 ' O ' ' HB2' ' A' ' 47' ' ' LEU . 4.0 mt -69.95 -28.43 65.56 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 112.371 0.508 . . . . 0.0 112.371 -179.607 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -73.78 -34.76 64.81 Favored 'General case' 0 N--CA 1.472 0.646 0 O-C-N 123.256 0.348 . . . . 0.0 111.421 179.165 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -72.54 -41.72 65.5 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.541 179.075 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 16.9 t -69.13 -32.27 71.53 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.744 178.414 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.439 ' HB2' ' O ' ' A' ' 43' ' ' LEU . 5.1 tp -70.65 -37.01 73.68 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.099 179.019 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 11.9 mm100 -71.17 -38.09 72.17 Favored 'General case' 0 N--CA 1.473 0.68 0 O-C-N 123.67 0.606 . . . . 0.0 111.354 179.376 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -71.53 -36.03 62.7 Favored Glycine 0 C--N 1.345 1.034 0 CA-C-N 115.936 -0.575 . . . . 0.0 112.718 179.044 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.592 ' O ' HG23 ' A' ' 54' ' ' VAL . 42.4 mt-10 -72.43 -35.86 68.44 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 122.734 0.414 . . . . 0.0 111.063 179.216 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.9 tt -70.4 -37.22 74.45 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.616 179.126 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -72.59 -31.28 65.08 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.119 179.032 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 17.5 p -75.03 -33.78 61.81 Favored 'General case' 0 N--CA 1.471 0.597 0 O-C-N 123.47 0.481 . . . . 0.0 111.51 179.047 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.592 HG23 ' O ' ' A' ' 50' ' ' GLU . 84.2 t -74.49 -35.01 37.38 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 O-C-N 123.333 0.396 . . . . 0.0 110.318 179.059 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 83.0 mttt -72.69 -37.21 67.94 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.282 178.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -72.89 -33.29 65.94 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.265 179.156 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 12.9 p -74.71 -33.95 62.49 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.094 178.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.8 tt -70.61 -39.39 73.79 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.413 179.027 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.506 ' O ' HG13 ' A' ' 62' ' ' ILE . 46.7 mt-30 -69.53 -38.2 77.42 Favored 'General case' 0 C--N 1.348 0.541 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.675 178.635 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.83 -28.56 65.8 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.245 178.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . 0.52 ' O ' ' HB2' ' A' ' 65' ' ' LEU . 74.1 mtp -73.18 -43.11 61.93 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.281 178.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.506 HG13 ' O ' ' A' ' 59' ' ' GLN . 0.8 OUTLIER -74.1 -26.53 21.03 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 CA-C-N 116.131 -0.486 . . . . 0.0 112.006 179.805 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 22.8 mt -84.7 -28.83 26.07 Favored 'General case' 0 N--CA 1.468 0.459 0 O-C-N 123.355 0.409 . . . . 0.0 111.44 179.053 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -92.43 -14.2 28.92 Favored 'General case' 0 CA--C 1.536 0.431 0 O-C-N 123.378 0.424 . . . . 0.0 111.466 179.488 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.52 ' HB2' ' O ' ' A' ' 61' ' ' MET . 1.9 tt . . . . . 0 N--CA 1.475 0.785 0 C-N-CA 122.683 0.393 . . . . 0.0 111.645 179.751 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 . . . . . 0 N--CA 1.469 0.487 0 CA-C-O 120.444 0.164 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -76.76 -29.67 56.21 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 116.015 -0.538 . . . . 0.0 111.51 179.41 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 19.4 mt -84.34 -26.39 28.5 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.856 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -70.31 -35.86 73.93 Favored 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 112.131 0.419 . . . . 0.0 112.131 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -64.51 -43.13 95.07 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 122.658 0.383 . . . . 0.0 111.762 179.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -75.91 -33.62 59.9 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.523 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -71.67 -37.95 70.7 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.589 179.341 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -75.82 -34.42 60.13 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.707 179.431 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 71.2 m -71.2 -40.37 71.22 Favored 'General case' 0 N--CA 1.471 0.615 0 O-C-N 123.211 0.32 . . . . 0.0 111.305 179.302 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 22.3 mt -73.73 -35.33 65.05 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.333 179.361 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -70.99 -33.91 70.86 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.423 179.295 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 62.5 mttm -76.1 -32.94 59.46 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.849 178.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.519 ' O ' ' HB2' ' A' ' 116' ' ' LEU . 42.0 mt-10 -73.87 -32.38 63.6 Favored 'General case' 0 N--CA 1.471 0.586 0 O-C-N 123.579 0.55 . . . . 0.0 111.739 178.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 34.3 mt -80.07 -33.2 14.27 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 O-C-N 123.368 0.418 . . . . 0.0 110.243 178.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -70.66 -36.15 73.22 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-O 120.84 0.352 . . . . 0.0 110.088 177.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 11.9 t80 -74.22 -35.45 63.89 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 115.338 -0.846 . . . . 0.0 109.728 178.261 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.519 ' HB2' ' O ' ' A' ' 112' ' ' GLU . 1.7 tt -67.48 -36.22 80.69 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.82 178.691 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -72.1 -39.64 68.77 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.007 179.232 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . 0.529 ' O ' ' HB2' ' A' ' 122' ' ' GLU . 9.1 m-20 -69.38 -29.38 67.14 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.355 178.274 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.567 ' O ' HG22 ' A' ' 123' ' ' VAL . 18.6 mt -73.12 -42.81 62.51 Favored 'General case' 0 N--CA 1.47 0.534 0 O-C-N 123.399 0.437 . . . . 0.0 111.3 179.425 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 2.2 pp -70.71 -36.4 64.87 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 O-C-N 123.374 0.421 . . . . 0.0 111.196 179.264 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -73.13 -29.4 62.86 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.375 179.111 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . 0.529 ' HB2' ' O ' ' A' ' 118' ' ' ASP . 10.4 tt0 -76.08 -36.81 58.81 Favored 'General case' 0 C--N 1.347 0.475 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.418 179.833 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.567 HG22 ' O ' ' A' ' 119' ' ' LEU . 3.9 m -75.27 -33.47 28.3 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 O-C-N 123.275 0.359 . . . . 0.0 110.942 178.659 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 74.3 mtp180 -70.95 -39.64 72.47 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.158 178.659 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -74.33 -39.21 62.98 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.83 179.464 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.536 0 CA-C-N 116.028 -0.533 . . . . 0.0 112.29 -179.902 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 6.1 m . . . . . 0 N--CA 1.473 0.697 0 N-CA-C 112.089 0.403 . . . . 0.0 112.089 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 52.9 m -100.72 -26.14 13.89 Favored 'General case' 0 N--CA 1.466 0.353 0 O-C-N 123.418 0.449 . . . . 0.0 111.666 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -91.55 -23.24 19.98 Favored 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 112.211 0.448 . . . . 0.0 112.211 -179.604 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -86.2 -22.26 27.04 Favored 'General case' 0 N--CA 1.47 0.542 0 O-C-N 123.247 0.342 . . . . 0.0 111.888 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.8 m -77.17 -38.96 28.21 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 N-CA-C 112.416 0.524 . . . . 0.0 112.416 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -58.56 -35.31 79.84 Favored Glycine 0 C--N 1.342 0.907 0 CA-C-N 116.112 -0.495 . . . . 0.0 113.873 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -76.8 -31.91 57.28 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 122.471 0.308 . . . . 0.0 111.301 179.561 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -76.01 -34.13 59.7 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.023 179.207 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.508 ' O ' HG22 ' A' ' 21' ' ' ILE . 74.8 m -74.31 -38.41 63.34 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.754 178.796 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.59 ' O ' HG22 ' A' ' 23' ' ' VAL . 40.6 mt-10 -70.25 -36.1 74.25 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.233 178.732 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -73.83 -35.35 64.83 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.539 179.392 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.508 HG22 ' O ' ' A' ' 18' ' ' CYS . 1.1 tp -73.93 -28.21 23.64 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.831 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.402 178.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -73.82 -44.55 30.87 Favored Glycine 0 C--N 1.348 1.226 0 CA-C-N 115.664 -0.698 . . . . 0.0 112.511 178.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.59 HG22 ' O ' ' A' ' 19' ' ' GLU . 3.3 m -71.1 -33.28 50.72 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 CA-C-O 120.576 0.227 . . . . 0.0 111.105 179.085 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.47 ' O ' ' HB2' ' A' ' 28' ' ' LEU . 55.4 mttt -72.35 -34.7 68.2 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.075 178.626 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.475 ' HB2' ' O ' ' A' ' 21' ' ' ILE . 2.2 tt -70.05 -39.79 75.51 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.271 179.301 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.2 mt -70.07 -41.27 74.34 Favored 'General case' 0 N--CA 1.473 0.717 0 O-C-N 123.347 0.404 . . . . 0.0 111.614 179.615 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 21.4 m80 -71.13 -31.41 67.69 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.28 179.17 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.47 ' HB2' ' O ' ' A' ' 24' ' ' LYS . 1.8 tt -74.92 -32.29 61.76 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.89 179.232 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.406 ' HG3' ' O ' ' A' ' 25' ' ' LEU . 43.6 mt-10 -72.42 -39.83 67.6 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.936 178.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -69.72 -38.59 76.97 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.563 178.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 54.4 mt-30 -74.14 -25.81 59.96 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.181 178.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.43 ' HB2' ' O ' ' A' ' 28' ' ' LEU . 5.1 tt -74.68 -39.4 62.01 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.704 179.201 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.411 ' O ' ' HD2' ' A' ' 37' ' ' TYR . 4.8 tp -71.13 -39.64 71.9 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.567 179.03 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -72.26 -31.18 63.99 Favored Glycine 0 C--N 1.343 0.967 0 CA-C-N 115.695 -0.684 . . . . 0.0 113.152 179.073 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -81.18 -29.11 34.72 Favored 'General case' 0 N--CA 1.469 0.521 0 N-CA-C 112.337 0.495 . . . . 0.0 112.337 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 43.9 mtt -82.65 -34.75 27.38 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 112.371 0.508 . . . . 0.0 112.371 -179.694 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.411 ' HD2' ' O ' ' A' ' 33' ' ' LEU . 26.6 m-85 -81.21 -40.52 23.71 Favored 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 111.973 0.36 . . . . 0.0 111.973 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 14.4 t -86.76 -25.59 24.59 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.722 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 66.5 m80 62.5 110.34 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 123.775 0.83 . . . . 0.0 111.83 -179.753 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -142.29 160.28 40.57 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.955 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -95.82 -38.59 10.24 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.554 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.7 -37.87 85.61 Favored 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 112.465 0.542 . . . . 0.0 112.465 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.481 ' O ' ' HB2' ' A' ' 47' ' ' LEU . 8.5 mt -71.6 -28.3 63.71 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 116.034 -0.53 . . . . 0.0 112.228 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 12.5 t80 -70.22 -39.94 74.83 Favored 'General case' 0 N--CA 1.473 0.703 0 O-C-N 123.358 0.411 . . . . 0.0 110.931 179.401 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 54.8 mt-30 -71.51 -39.92 70.47 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.486 179.027 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 52.9 m -69.05 -33.7 74.01 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.992 178.524 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.481 ' HB2' ' O ' ' A' ' 43' ' ' LEU . 2.4 tt -70.79 -35.93 72.8 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.205 179.273 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -70.65 -41.2 72.44 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.385 179.366 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -71.42 -38.05 62.41 Favored Glycine 0 C--N 1.344 0.998 0 CA-C-N 115.931 -0.577 . . . . 0.0 112.566 179.186 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.612 ' O ' HG23 ' A' ' 54' ' ' VAL . 40.1 mt-10 -71.43 -35.85 71.08 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 122.681 0.392 . . . . 0.0 111.114 179.178 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.414 ' HB2' ' O ' ' A' ' 47' ' ' LEU . 2.6 tt -70.19 -35.77 74.16 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.719 179.159 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 -72.23 -33.67 67.73 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.977 179.13 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 19.1 p -73.83 -33.99 64.37 Favored 'General case' 0 N--CA 1.472 0.635 0 O-C-N 123.423 0.452 . . . . 0.0 111.648 179.055 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.612 HG23 ' O ' ' A' ' 50' ' ' GLU . 87.8 t -73.78 -34.78 41.58 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.866 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.289 179.005 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 75.2 mttt -73.68 -35.11 65.14 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.291 178.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -72.98 -33.97 66.16 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.251 178.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 17.4 p -73.38 -37.35 66.04 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.206 178.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.0 tp -71.14 -37.24 72.28 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.795 179.2 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.433 ' O ' HG13 ' A' ' 62' ' ' ILE . 53.2 mt-30 -69.62 -37.09 76.7 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.865 178.62 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.462 ' O ' ' HB2' ' A' ' 64' ' ' GLN . . . -69.89 -31.49 69.32 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.113 178.682 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 15.8 ttt -70.7 -44.29 67.23 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.954 179.06 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.433 HG13 ' O ' ' A' ' 59' ' ' GLN . 1.6 pt -75.53 -22.69 16.45 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 O-C-N 123.424 0.453 . . . . 0.0 111.87 179.426 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.8 tp -86.49 -24.76 25.46 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.064 179.324 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.462 ' HB2' ' O ' ' A' ' 60' ' ' ALA . 5.5 tt0 -87.36 -31.09 20.32 Favored 'General case' 0 N--CA 1.468 0.466 0 O-C-N 123.435 0.46 . . . . 0.0 111.391 179.608 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 17.5 mt . . . . . 0 N--CA 1.47 0.537 0 O-C-N 123.315 0.384 . . . . 0.0 111.607 179.799 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 . . . . . 0 N--CA 1.47 0.563 0 N-CA-C 111.958 0.355 . . . . 0.0 111.958 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -77.07 -30.56 55.57 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 112.37 0.507 . . . . 0.0 112.37 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 12.8 mt -86.24 -29.49 23.1 Favored 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 112.01 0.374 . . . . 0.0 112.01 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -75.16 -38.19 61.01 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 112.002 0.371 . . . . 0.0 112.002 -179.742 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -64.72 -41.17 96.18 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 122.811 0.444 . . . . 0.0 111.703 179.505 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 23.7 tptt -75.8 -36.77 59.62 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.218 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -71.03 -35.9 72.17 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.532 179.375 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . 0.501 ' OD2' ' HE3' ' A' ' 111' ' ' LYS . 2.2 t70 -75.8 -34.84 60.19 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.424 179.582 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 47.6 p -68.93 -44.18 73.59 Favored 'General case' 0 N--CA 1.471 0.622 0 O-C-N 123.29 0.369 . . . . 0.0 111.484 179.449 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 3.2 mp -73.55 -32.42 64.18 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.387 179.353 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.434 ' O ' ' HG3' ' A' ' 114' ' ' GLN . . . -68.03 -36.44 79.92 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 123.224 0.328 . . . . 0.0 110.94 178.606 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . 0.501 ' HE3' ' OD2' ' A' ' 107' ' ' ASP . 95.4 mttt -72.88 -35.18 67.11 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.491 178.474 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -67.93 -33.63 75.05 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.285 178.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 21.6 mt -77.14 -33.08 19.82 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 O-C-N 123.482 0.489 . . . . 0.0 109.747 178.534 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . 0.434 ' HG3' ' O ' ' A' ' 110' ' ' ALA . 53.6 mt-30 -65.26 -36.82 85.3 Favored 'General case' 0 N--CA 1.474 0.73 0 O-C-N 123.357 0.411 . . . . 0.0 110.425 178.141 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . 0.484 ' HD1' ' O ' ' A' ' 111' ' ' LYS . 17.8 m-85 -75.01 -35.61 61.97 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.004 177.768 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 2.0 tt -66.2 -38.86 89.02 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.86 178.67 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . 0.508 ' O ' HG13 ' A' ' 120' ' ' ILE . 95.2 mttt -72.75 -37.54 67.65 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.804 179.165 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -69.19 -32.02 71.03 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.983 178.507 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.583 ' O ' HG22 ' A' ' 123' ' ' VAL . 14.1 mt -71.77 -43.22 66.11 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.327 179.722 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . 0.508 HG13 ' O ' ' A' ' 117' ' ' LYS . 0.8 OUTLIER -69.81 -33.25 55.19 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.296 178.92 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -72.93 -32.11 65.06 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.427 178.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -73.28 -38.24 65.97 Favored 'General case' 0 N--CA 1.47 0.558 0 O-C-N 123.441 0.463 . . . . 0.0 111.685 179.548 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.583 HG22 ' O ' ' A' ' 119' ' ' LEU . 2.7 m -74.01 -33.98 37.68 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 O-C-N 123.315 0.385 . . . . 0.0 111.069 178.666 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -70.56 -36.37 73.6 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.203 178.642 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -74.14 -36.55 64.14 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.287 179.04 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.602 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.987 179.528 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 5.4 m . . . . . 0 N--CA 1.472 0.673 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 50.2 m -94.03 -14.4 25.87 Favored 'General case' 0 N--CA 1.466 0.372 0 O-C-N 123.425 0.453 . . . . 0.0 111.867 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -94.86 -22.14 18.22 Favored 'General case' 0 N--CA 1.467 0.421 0 N-CA-C 112.117 0.414 . . . . 0.0 112.117 -179.709 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -87.03 -22.03 25.73 Favored 'General case' 0 N--CA 1.472 0.667 0 O-C-N 123.331 0.394 . . . . 0.0 111.961 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.7 m -71.09 -39.1 73.85 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 N-CA-C 112.589 0.589 . . . . 0.0 112.589 -179.707 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -60.53 -40.13 97.36 Favored Glycine 0 C--N 1.343 0.946 0 O-C-N 123.484 0.49 . . . . 0.0 113.823 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -75.02 -35.05 61.98 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 122.485 0.314 . . . . 0.0 111.468 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 60.2 mttp -73.89 -34.13 64.3 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.014 179.162 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.404 ' O ' HG22 ' A' ' 21' ' ' ILE . 94.0 m -72.79 -37.95 67.4 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.877 178.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.566 ' O ' HG22 ' A' ' 23' ' ' VAL . 41.3 mt-10 -70.18 -36.66 74.81 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.374 179.034 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.34 -38.38 68.62 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.6 179.555 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.404 HG22 ' O ' ' A' ' 18' ' ' CYS . 2.2 tp -72.81 -27.82 25.92 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.815 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.459 178.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -73.05 -42.55 43.81 Favored Glycine 0 C--N 1.348 1.245 0 CA-C-N 115.695 -0.684 . . . . 0.0 112.332 178.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.566 HG22 ' O ' ' A' ' 19' ' ' GLU . 2.8 m -71.18 -34.14 53.47 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 CA-C-O 120.698 0.285 . . . . 0.0 111.18 178.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -71.48 -35.02 70.67 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.909 178.645 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.7 tt -69.95 -39.23 76.18 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.097 179.072 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 13.5 mt -69.03 -39.98 78.91 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.429 179.406 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 15.5 m-70 -70.69 -31.69 68.66 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.02 178.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.444 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 0.6 OUTLIER -74.86 -30.48 61.35 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.064 178.907 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -73.11 -41.09 64.4 Favored 'General case' 0 N--CA 1.471 0.575 0 O-C-N 123.541 0.526 . . . . 0.0 110.694 179.15 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -69.9 -37.12 75.9 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.082 178.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 53.9 mt-30 -74.32 -28.64 61.25 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.244 179.043 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.444 ' HB2' ' O ' ' A' ' 28' ' ' LEU . 3.6 tt -72.89 -40.31 65.66 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.906 179.271 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.457 ' O ' ' HD2' ' A' ' 37' ' ' TYR . 4.8 tp -71.16 -39.12 72.11 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.52 178.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -71.96 -28.27 68.95 Favored Glycine 0 C--N 1.343 0.971 0 CA-C-N 115.744 -0.662 . . . . 0.0 112.794 179.025 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -80.99 -30.52 35.02 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 122.709 0.404 . . . . 0.0 111.826 179.199 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 39.6 mtt -78.83 -34.89 44.82 Favored 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 112.117 0.414 . . . . 0.0 112.117 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.457 ' HD2' ' O ' ' A' ' 33' ' ' LEU . 26.4 m-85 -81.08 -35.34 31.85 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 112.003 0.371 . . . . 0.0 112.003 179.802 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 14.4 t -86.55 -27.76 23.76 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.657 179.782 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 74.3 m-70 62.86 110.72 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 123.954 0.902 . . . . 0.0 112.01 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -142.46 162.72 34.74 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.588 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -95.71 -41.35 8.92 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.762 -179.691 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.88 -29.0 68.79 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 112.797 0.666 . . . . 0.0 112.797 -179.662 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -67.29 -28.95 68.43 Favored 'General case' 0 N--CA 1.472 0.651 0 N-CA-C 112.506 0.558 . . . . 0.0 112.506 -179.471 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 27.8 m-85 -68.69 -37.47 79.58 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 122.26 0.224 . . . . 0.0 111.527 179.55 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -72.82 -40.05 66.13 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.378 178.772 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 52.5 m -69.23 -38.73 78.66 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.475 178.677 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.421 ' O ' ' HB2' ' A' ' 51' ' ' LEU . 17.3 mt -70.79 -34.1 71.42 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 116.015 -0.539 . . . . 0.0 112.108 179.515 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -72.96 -40.37 65.41 Favored 'General case' 0 N--CA 1.472 0.669 0 O-C-N 123.314 0.384 . . . . 0.0 111.734 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -71.6 -38.06 61.71 Favored Glycine 0 C--N 1.342 0.891 0 CA-C-N 116.169 -0.469 . . . . 0.0 112.889 179.375 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -73.3 -35.5 66.12 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 122.872 0.469 . . . . 0.0 111.488 179.739 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.421 ' HB2' ' O ' ' A' ' 47' ' ' LEU . 4.0 tp -72.86 -36.05 67.33 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.455 179.563 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -74.19 -33.79 63.54 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.175 179.27 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 17.8 p -74.99 -33.99 61.92 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.475 179.036 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.408 HG12 ' HA ' ' A' ' 51' ' ' LEU . 8.3 p -75.0 -34.04 31.13 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.811 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.718 179.358 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 63.6 mttm -73.7 -36.44 65.25 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.063 178.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -73.19 -33.35 65.36 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.223 178.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 10.7 p -74.03 -35.54 64.35 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.336 178.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.596 ' O ' HG12 ' A' ' 62' ' ' ILE . 5.8 tp -71.68 -39.27 70.35 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.661 179.185 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.485 ' O ' ' HB2' ' A' ' 63' ' ' LEU . 47.3 mt-30 -69.6 -37.2 76.8 Favored 'General case' 0 C--N 1.348 0.519 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.791 178.816 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.523 ' O ' ' HG2' ' A' ' 64' ' ' GLN . . . -68.45 -32.99 73.4 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.911 178.794 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 82.1 mtp -68.4 -46.42 70.02 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.262 178.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.596 HG12 ' O ' ' A' ' 58' ' ' LEU . 11.8 mm -75.38 -18.16 15.9 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.88 179.553 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.485 ' HB2' ' O ' ' A' ' 59' ' ' GLN . 2.4 tt -82.4 -33.75 28.58 Favored 'General case' 0 N--CA 1.469 0.506 0 O-C-N 123.231 0.332 . . . . 0.0 111.53 179.495 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.523 ' HG2' ' O ' ' A' ' 60' ' ' ALA . 11.3 pt20 -87.74 -29.25 21.21 Favored 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 21.4 mt . . . . . 0 N--CA 1.471 0.602 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 -179.831 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 . . . . . 0 N--CA 1.468 0.453 0 N-CA-C 111.468 0.173 . . . . 0.0 111.468 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -76.62 -30.02 56.72 Favored 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 112.287 0.476 . . . . 0.0 112.287 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 13.8 mt -86.2 -29.63 23.04 Favored 'General case' 0 N--CA 1.469 0.487 0 O-C-N 123.343 0.402 . . . . 0.0 111.755 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -75.11 -40.74 59.71 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 122.633 0.373 . . . . 0.0 111.622 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -64.63 -38.4 90.88 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.669 179.447 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -76.71 -35.78 57.63 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.521 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -69.58 -37.8 77.11 Favored 'General case' 0 N--CA 1.47 0.572 0 O-C-N 123.381 0.425 . . . . 0.0 111.601 179.485 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -75.7 -37.45 59.46 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.448 179.423 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . 0.484 ' O ' ' HG2' ' A' ' 112' ' ' GLU . 73.0 m -69.28 -40.02 78.0 Favored 'General case' 0 N--CA 1.472 0.643 0 O-C-N 123.278 0.361 . . . . 0.0 111.128 179.127 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 24.6 mt -70.21 -38.82 75.36 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.044 179.282 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -71.07 -30.15 66.22 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.902 179.663 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -74.38 -38.89 63.03 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.472 179.464 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.484 ' HG2' ' O ' ' A' ' 108' ' ' SER . 7.7 pt-20 -73.6 -31.09 63.38 Favored 'General case' 0 N--CA 1.476 0.847 0 O-C-N 123.3 0.375 . . . . 0.0 111.657 178.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 48.4 mt -77.04 -33.1 20.08 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 O-C-N 123.207 0.317 . . . . 0.0 110.477 178.651 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -71.25 -40.12 71.19 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-O 120.801 0.334 . . . . 0.0 110.467 178.505 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 11.8 t80 -70.02 -35.79 74.59 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.024 178.441 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.671 ' O ' HG12 ' A' ' 120' ' ' ILE . 10.3 tp -65.19 -40.53 94.35 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.523 178.639 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -66.56 -38.52 87.28 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.012 179.105 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -68.6 -30.88 69.71 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.122 178.594 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 14.9 mt -73.69 -34.27 64.79 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.483 179.094 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . 0.671 HG12 ' O ' ' A' ' 116' ' ' LEU . 30.0 mm -72.44 -37.36 57.3 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.301 178.774 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -72.81 -32.64 65.68 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.423 179.288 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -75.89 -33.67 59.94 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.553 179.267 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.405 HG12 ' O ' ' A' ' 120' ' ' ILE . 9.9 p -75.16 -34.95 32.87 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.785 0 O-C-N 123.302 0.376 . . . . 0.0 110.523 179.085 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -71.2 -39.84 71.55 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.109 178.565 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 58.7 mttp -74.22 -30.32 62.13 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.908 179.475 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.549 0 CA-C-N 116.267 -0.424 . . . . 0.0 112.118 -179.915 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.435 ' O ' HG13 ' A' ' 14' ' ' VAL . 2.9 m . . . . . 0 N--CA 1.473 0.691 0 CA-C-O 120.532 0.206 . . . . 0.0 111.011 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 58.1 m -85.92 -14.9 43.38 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.837 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -98.03 -20.42 17.4 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.65 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -89.61 -22.07 22.5 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.864 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.435 HG13 ' O ' ' A' ' 10' ' ' VAL . 2.9 m -64.75 -39.82 86.93 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 N-CA-C 112.814 0.672 . . . . 0.0 112.814 -179.828 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -62.23 -39.87 98.26 Favored Glycine 0 C--N 1.342 0.87 0 O-C-N 123.519 0.512 . . . . 0.0 113.485 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -76.59 -31.5 57.52 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 122.602 0.361 . . . . 0.0 111.255 179.68 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -75.67 -34.25 60.45 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.046 179.305 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.418 ' HA ' HG22 ' A' ' 21' ' ' ILE . 98.0 m -74.49 -38.42 62.89 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.646 178.82 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.567 ' O ' HG22 ' A' ' 23' ' ' VAL . 41.9 mt-10 -70.29 -35.37 73.67 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.39 178.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.37 -40.53 67.22 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.427 179.398 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.418 HG22 ' HA ' ' A' ' 18' ' ' CYS . 1.1 tt -71.33 -27.64 29.71 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.847 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.389 178.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.1 -43.72 47.25 Favored Glycine 0 C--N 1.348 1.199 0 CA-C-N 115.712 -0.676 . . . . 0.0 112.241 178.646 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.567 HG22 ' O ' ' A' ' 19' ' ' GLU . 2.8 m -71.23 -30.46 40.42 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 CA-C-O 120.631 0.253 . . . . 0.0 111.28 178.796 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -72.89 -36.26 67.3 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.843 178.5 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.8 tp -70.22 -39.44 75.11 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.218 179.339 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.3 mt -70.79 -38.61 73.38 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.391 179.508 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.477 ' HD2' ' NE2' ' A' ' 31' ' ' GLN . 2.9 t60 -72.36 -31.8 65.92 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.776 179.119 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.467 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 5.0 tp -74.72 -31.83 61.96 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.752 179.059 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -73.87 -36.68 64.85 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.765 178.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -69.67 -39.98 76.67 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.454 178.68 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.477 ' NE2' ' HD2' ' A' ' 27' ' ' HIS . 43.9 mt-30 -74.15 -27.2 60.72 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.021 178.873 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.467 ' HB2' ' O ' ' A' ' 28' ' ' LEU . 3.7 tt -72.12 -39.62 68.71 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.788 179.275 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.437 ' O ' ' HD1' ' A' ' 37' ' ' TYR . 4.8 tp -71.59 -39.8 70.32 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.415 178.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -71.98 -26.54 72.29 Favored Glycine 0 C--N 1.344 1.004 0 CA-C-N 115.71 -0.677 . . . . 0.0 112.792 178.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -81.09 -33.04 33.62 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 122.721 0.408 . . . . 0.0 111.907 179.334 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 47.8 mtt -78.98 -33.79 44.76 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 112.372 0.508 . . . . 0.0 112.372 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.437 ' HD1' ' O ' ' A' ' 33' ' ' LEU . 25.8 m-85 -81.13 -39.26 25.88 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 111.931 0.345 . . . . 0.0 111.931 179.776 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 53.2 m -86.74 -21.63 26.46 Favored 'General case' 0 N--CA 1.47 0.568 0 O-C-N 123.403 0.439 . . . . 0.0 111.865 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 72.3 m-70 62.06 111.63 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 123.926 0.89 . . . . 0.0 111.907 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.405 ' CB ' HD12 ' A' ' 43' ' ' LEU . 7.7 m-20 -142.62 164.41 30.18 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.792 -179.809 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -106.94 -40.03 5.59 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.398 179.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.85 -31.51 72.18 Favored 'General case' 0 N--CA 1.473 0.717 0 N-CA-C 112.842 0.682 . . . . 0.0 112.842 -179.72 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.405 HD12 ' CB ' ' A' ' 40' ' ' ASP . 2.5 mt -67.06 -28.58 68.32 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 112.43 0.53 . . . . 0.0 112.43 -179.636 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -68.86 -37.48 79.12 Favored 'General case' 0 N--CA 1.474 0.746 0 O-C-N 123.134 0.271 . . . . 0.0 111.213 178.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -72.41 -38.11 68.48 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.531 178.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 16.4 t -68.89 -36.88 78.58 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 115.701 -0.682 . . . . 0.0 110.865 178.538 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.418 ' O ' ' HB2' ' A' ' 51' ' ' LEU . 17.5 mt -70.7 -33.8 71.27 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.594 178.752 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -70.37 -40.55 73.94 Favored 'General case' 0 N--CA 1.474 0.755 0 O-C-N 123.5 0.5 . . . . 0.0 111.391 179.381 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -70.46 -39.69 69.02 Favored Glycine 0 C--N 1.344 1.006 0 CA-C-N 116.073 -0.512 . . . . 0.0 112.345 179.036 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.608 ' O ' HG23 ' A' ' 54' ' ' VAL . 43.7 mt-10 -69.52 -35.63 75.67 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 122.753 0.421 . . . . 0.0 110.847 179.03 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.418 ' HB2' ' O ' ' A' ' 47' ' ' LEU . 2.4 tp -70.06 -34.95 73.86 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.838 179.128 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 19.1 mm-40 -71.86 -33.75 68.67 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.361 179.017 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 19.5 p -73.56 -36.03 65.55 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.54 179.003 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.608 HG23 ' O ' ' A' ' 50' ' ' GLU . 57.5 t -73.17 -34.33 44.4 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.185 178.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 64.7 mttm -72.9 -34.5 66.69 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.827 178.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -73.02 -33.46 65.76 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.96 178.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 19.2 p -73.03 -37.06 67.03 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.189 179.016 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 17.5 mt -70.74 -38.06 73.49 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.884 178.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -69.29 -36.9 77.52 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.748 178.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -70.2 -32.18 69.98 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.092 178.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 87.1 mtp -70.76 -40.89 72.4 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.482 179.122 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 3.0 tp -75.28 -27.22 19.3 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.861 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.244 179.278 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.8 tp -83.49 -24.42 31.75 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.4 179.537 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -89.52 -29.38 18.98 Favored 'General case' 0 N--CA 1.469 0.495 0 O-C-N 123.348 0.405 . . . . 0.0 111.766 179.768 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 20.3 mt . . . . . 0 N--CA 1.471 0.585 0 O-C-N 123.188 0.305 . . . . 0.0 111.517 179.913 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 . . . . . 0 N--CA 1.467 0.396 0 CA-C-O 120.389 0.138 . . . . 0.0 111.238 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -76.9 -29.6 55.82 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.867 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 23.5 mt -84.57 -26.65 27.83 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.744 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -72.46 -37.61 68.48 Favored 'General case' 0 N--CA 1.473 0.681 0 O-C-N 123.266 0.354 . . . . 0.0 111.87 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -64.66 -39.68 94.1 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.643 179.66 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.434 ' O ' ' HB2' ' A' ' 109' ' ' LEU . 97.1 mttt -78.32 -31.63 48.88 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.516 179.777 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -71.55 -40.85 69.74 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.514 179.224 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -75.92 -36.01 59.56 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.778 179.63 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . 0.416 ' O ' ' HG3' ' A' ' 112' ' ' GLU . 17.1 t -70.54 -42.11 71.64 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 123.295 0.372 . . . . 0.0 111.087 179.435 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.434 ' HB2' ' O ' ' A' ' 105' ' ' LYS . 5.0 mp -71.94 -33.78 68.51 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.321 179.287 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -70.86 -33.75 70.95 Favored 'General case' 0 N--CA 1.471 0.602 0 O-C-N 123.344 0.402 . . . . 0.0 110.88 178.583 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . 0.457 ' O ' ' HB2' ' A' ' 115' ' ' TYR . 63.8 mttm -75.12 -29.75 60.66 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.699 178.504 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.416 ' HG3' ' O ' ' A' ' 108' ' ' SER . 45.9 mt-10 -72.32 -39.3 68.32 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.4 178.764 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 13.2 mt -73.05 -37.25 52.84 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.078 179.051 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 53.6 mt-30 -70.56 -32.54 69.99 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.863 178.631 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . 0.457 ' HB2' ' O ' ' A' ' 111' ' ' LYS . 10.6 t80 -72.33 -36.46 68.84 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.831 179.117 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 13.7 mt -69.42 -37.91 77.65 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.016 178.659 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -68.41 -39.22 81.71 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.947 178.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -68.94 -32.2 71.62 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.134 178.537 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.577 ' O ' HG22 ' A' ' 123' ' ' VAL . 14.4 mt -70.57 -39.21 74.04 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.652 179.307 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 14.3 mt -70.56 -36.47 65.94 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.202 178.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . 0.411 ' O ' ' HB2' ' A' ' 125' ' ' LYS . 42.8 mt-10 -72.95 -28.01 62.17 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.516 178.824 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -76.13 -38.42 56.82 Favored 'General case' 0 N--CA 1.469 0.503 0 O-C-N 123.393 0.433 . . . . 0.0 111.538 179.307 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.577 HG22 ' O ' ' A' ' 119' ' ' LEU . 2.6 m -72.59 -36.29 53.26 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 O-C-N 123.355 0.409 . . . . 0.0 111.002 178.769 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -70.39 -39.08 74.73 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.652 178.696 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . 0.411 ' HB2' ' O ' ' A' ' 121' ' ' GLU . 54.9 tttt -74.44 -25.81 59.66 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.276 178.796 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.496 0 CA-C-N 116.105 -0.498 . . . . 0.0 112.277 -179.846 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 3.6 m . . . . . 0 N--CA 1.47 0.538 0 CA-C-O 121.333 0.587 . . . . 0.0 111.574 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 49.4 m -143.62 -43.87 0.28 Allowed 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.867 179.703 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -97.84 -12.18 22.45 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.691 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -87.73 -22.65 24.47 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 122.601 0.36 . . . . 0.0 111.748 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.4 t -77.43 -22.74 14.29 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 C-N-CA 122.713 0.405 . . . . 0.0 111.336 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -73.36 -44.22 35.01 Favored Glycine 0 C--N 1.345 1.041 0 CA-C-N 116.505 -0.316 . . . . 0.0 113.245 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -74.48 -32.14 62.45 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 122.576 0.35 . . . . 0.0 111.445 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.649 ' O ' HG12 ' A' ' 21' ' ' ILE . 97.0 mttt -72.37 -39.41 68.06 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.131 179.532 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 83.8 m -71.72 -36.87 70.64 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.948 178.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.566 ' O ' HG22 ' A' ' 23' ' ' VAL . 40.0 mt-10 -70.1 -31.71 69.41 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.141 178.86 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -73.09 -41.64 63.85 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.55 179.263 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.649 HG12 ' O ' ' A' ' 17' ' ' LYS . 39.3 mm -71.41 -27.37 28.65 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.898 178.63 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -71.12 -45.42 49.97 Favored Glycine 0 C--N 1.348 1.197 0 CA-C-N 115.924 -0.58 . . . . 0.0 112.436 178.651 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.566 HG22 ' O ' ' A' ' 19' ' ' GLU . 3.7 m -71.44 -30.63 40.12 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 CA-C-O 120.585 0.231 . . . . 0.0 111.547 179.054 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.448 ' O ' ' HB2' ' A' ' 28' ' ' LEU . 96.3 mttt -74.65 -34.13 62.66 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.959 178.784 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.408 ' HB2' ' O ' ' A' ' 21' ' ' ILE . 2.3 tt -70.12 -41.95 73.27 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 115.921 -0.582 . . . . 0.0 111.0 179.086 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.9 mt -69.82 -38.32 76.52 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.011 179.151 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.462 ' HD2' ' OE1' ' A' ' 31' ' ' GLN . 2.1 t60 -71.41 -31.52 67.34 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.748 179.038 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.505 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 4.9 tp -74.92 -30.47 61.26 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.857 178.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -72.87 -41.02 65.17 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.091 178.663 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -69.89 -37.4 76.02 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.129 178.738 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.462 ' OE1' ' HD2' ' A' ' 27' ' ' HIS . 49.7 mt-30 -74.33 -29.87 61.79 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.527 179.189 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.505 ' HB2' ' O ' ' A' ' 28' ' ' LEU . 2.0 tt -73.57 -39.88 64.32 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.087 179.728 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.1 tt -71.61 -39.21 70.62 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.456 179.129 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -72.35 -28.16 68.43 Favored Glycine 0 C--N 1.344 1.014 0 CA-C-N 115.605 -0.725 . . . . 0.0 112.875 178.808 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -80.89 -31.04 35.37 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 122.586 0.354 . . . . 0.0 111.833 179.325 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 82.6 mtp -80.4 -32.18 37.56 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.653 179.703 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 10.4 t80 -81.27 -41.47 22.12 Favored 'General case' 0 N--CA 1.47 0.554 0 O-C-N 123.399 0.437 . . . . 0.0 111.411 179.766 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 53.7 m -86.72 -24.77 25.04 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 116.152 -0.476 . . . . 0.0 112.003 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 70.3 m-70 63.34 110.03 0.03 OUTLIER 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 123.805 0.842 . . . . 0.0 111.933 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -141.12 163.5 32.8 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.775 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -99.69 -40.43 7.77 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.421 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.73 -28.95 68.83 Favored 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 112.848 0.684 . . . . 0.0 112.848 -179.608 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.444 ' O ' ' HB2' ' A' ' 47' ' ' LEU . 4.3 mm? -67.27 -28.67 68.22 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 112.516 0.562 . . . . 0.0 112.516 -179.534 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 46.8 m-85 -74.82 -34.52 62.37 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 122.39 0.276 . . . . 0.0 111.675 179.621 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 -72.31 -42.36 65.52 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.805 179.219 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 52.1 m -69.26 -34.89 75.47 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.263 178.744 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.444 ' HB2' ' O ' ' A' ' 43' ' ' LEU . 4.5 tp -70.78 -36.62 73.12 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.601 179.484 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 -72.3 -39.3 68.39 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.782 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -71.57 -39.64 60.46 Favored Glycine 0 C--N 1.343 0.962 0 CA-C-N 116.176 -0.465 . . . . 0.0 112.928 179.479 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.489 ' O ' HG22 ' A' ' 54' ' ' VAL . 43.5 mt-10 -71.95 -35.73 69.66 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 122.749 0.42 . . . . 0.0 111.513 179.647 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.401 ' HB2' ' O ' ' A' ' 47' ' ' LEU . 3.8 tp -72.47 -35.7 68.28 Favored 'General case' 0 N--CA 1.47 0.551 0 O-C-N 123.572 0.545 . . . . 0.0 111.253 179.58 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -74.45 -31.41 62.25 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.205 179.096 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 17.2 p -74.5 -36.98 63.25 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.534 179.135 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.489 HG22 ' O ' ' A' ' 50' ' ' GLU . 13.7 m -74.11 -34.18 37.6 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.989 178.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -71.54 -36.98 71.16 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.032 178.778 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -72.98 -33.17 65.66 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.017 178.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 11.5 p -73.78 -35.35 64.94 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.435 179.058 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 20.9 mt -72.92 -36.58 67.27 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.868 178.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.523 ' O ' HG13 ' A' ' 62' ' ' ILE . 9.6 tt0 -69.54 -38.35 77.46 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.636 178.833 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.38 -35.05 75.44 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.781 178.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . 0.464 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 81.7 mtp -66.63 -43.18 85.41 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.5 179.247 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.523 HG13 ' O ' ' A' ' 59' ' ' GLN . 1.2 pt -74.4 -25.96 19.95 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 O-C-N 123.414 0.446 . . . . 0.0 111.817 179.662 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.4 mp -82.95 -20.61 34.92 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.216 178.651 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -86.96 -38.75 16.35 Favored 'General case' 0 N--CA 1.468 0.471 0 N-CA-C 112.305 0.483 . . . . 0.0 112.305 179.593 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.464 ' HG ' ' O ' ' A' ' 61' ' ' MET . 3.3 pp . . . . . 0 N--CA 1.472 0.634 0 N-CA-C 112.123 0.416 . . . . 0.0 112.123 -179.647 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 . . . . . 0 N--CA 1.47 0.557 0 N-CA-C 111.931 0.345 . . . . 0.0 111.931 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -76.95 -29.95 55.84 Favored 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 112.193 0.442 . . . . 0.0 112.193 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 13.3 mt -86.18 -26.61 25.03 Favored 'General case' 0 N--CA 1.469 0.516 0 O-C-N 123.481 0.488 . . . . 0.0 111.84 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -67.74 -37.46 82.19 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 112.132 0.419 . . . . 0.0 112.132 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -64.52 -38.95 92.81 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 122.783 0.433 . . . . 0.0 111.55 179.562 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 59.0 mttp -74.78 -33.5 62.28 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.271 179.61 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -71.51 -36.41 71.06 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.531 179.426 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 -75.61 -35.46 60.5 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.42 179.282 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . 0.422 ' O ' ' HG3' ' A' ' 112' ' ' GLU . 16.1 t -70.57 -41.44 72.41 Favored 'General case' 0 N--CA 1.471 0.592 0 O-C-N 123.309 0.381 . . . . 0.0 110.991 179.047 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 26.8 mt -70.68 -35.92 73.06 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.147 179.262 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -69.74 -34.43 73.82 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.269 179.01 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -74.44 -29.9 61.67 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.853 178.814 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.422 ' HG3' ' O ' ' A' ' 108' ' ' SER . 45.2 mt-10 -73.44 -38.24 65.58 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.458 178.842 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 13.6 mt -74.34 -34.21 36.08 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.247 179.272 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 52.9 mt-30 -72.64 -34.03 67.01 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.012 178.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 10.4 t80 -72.19 -38.2 69.12 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.614 179.189 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.694 ' O ' HG12 ' A' ' 120' ' ' ILE . 15.1 mt -68.2 -38.4 81.92 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.895 178.713 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 64.1 mttm -68.34 -37.93 81.01 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.33 179.273 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -68.81 -33.71 74.3 Favored 'General case' 0 N--CA 1.47 0.56 0 O-C-N 123.459 0.474 . . . . 0.0 111.425 178.75 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 16.5 mt -71.33 -38.96 71.66 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.789 179.299 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . 0.694 HG12 ' O ' ' A' ' 116' ' ' LEU . 28.5 mm -72.28 -33.66 46.87 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 O-C-N 123.356 0.41 . . . . 0.0 110.443 179.302 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -73.02 -33.57 65.82 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.452 179.259 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -74.94 -34.99 62.16 Favored 'General case' 0 N--CA 1.47 0.557 0 O-C-N 123.515 0.509 . . . . 0.0 111.433 179.493 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 9.9 p -74.87 -34.51 33.34 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.813 0 O-C-N 123.413 0.446 . . . . 0.0 110.606 178.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -71.17 -37.64 72.19 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.369 178.694 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -73.89 -36.56 64.78 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.853 179.504 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.523 0 CA-C-N 116.035 -0.529 . . . . 0.0 112.065 179.907 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 5.3 m . . . . . 0 CA--C 1.541 0.604 0 CA-C-O 121.444 0.64 . . . . 0.0 111.338 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 52.9 m -138.73 -39.64 0.5 Allowed 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 115.224 -0.898 . . . . 0.0 111.118 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -95.51 -26.56 15.76 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.832 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -84.54 -22.66 30.05 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 122.55 0.34 . . . . 0.0 111.834 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 1.6 m -77.44 -36.07 23.0 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 N-CA-C 112.456 0.539 . . . . 0.0 112.456 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -57.3 -38.34 86.0 Favored Glycine 0 C--N 1.341 0.842 0 O-C-N 123.598 0.561 . . . . 0.0 114.012 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -75.63 -32.53 60.28 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 122.463 0.305 . . . . 0.0 111.286 179.56 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -75.52 -33.98 60.76 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.843 179.057 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.441 ' O ' HG22 ' A' ' 21' ' ' ILE . 48.5 t -72.95 -38.81 66.62 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.718 178.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.573 ' O ' HG22 ' A' ' 23' ' ' VAL . 42.8 mt-10 -70.24 -37.32 74.94 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.408 178.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.3 -38.03 68.83 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.513 179.522 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.441 HG22 ' O ' ' A' ' 18' ' ' CYS . 1.3 tp -72.34 -28.46 28.84 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.792 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.459 179.1 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -73.04 -42.81 42.85 Favored Glycine 0 C--N 1.349 1.266 0 CA-C-N 115.705 -0.68 . . . . 0.0 112.433 178.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.573 HG22 ' O ' ' A' ' 19' ' ' GLU . 2.9 m -71.21 -32.95 49.12 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 122.236 0.214 . . . . 0.0 111.232 178.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -71.61 -37.12 70.97 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.104 178.795 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.5 tp -69.82 -39.01 76.75 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.453 179.289 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.4 mt -69.63 -41.73 75.25 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.809 179.763 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 21.5 m80 -70.75 -31.77 68.7 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.439 179.264 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.452 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 0.8 OUTLIER -74.92 -31.49 61.55 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.355 179.036 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -72.86 -40.86 65.33 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.992 179.018 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -69.96 -37.64 75.87 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.246 178.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -74.4 -28.45 61.1 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.469 179.154 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.452 ' HB2' ' O ' ' A' ' 28' ' ' LEU . 3.6 tt -73.38 -41.5 63.29 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 122.855 0.462 . . . . 0.0 110.984 179.577 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.46 ' O ' ' HD2' ' A' ' 37' ' ' TYR . 8.8 mt -71.55 -37.53 71.09 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.705 178.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -71.97 -29.3 67.19 Favored Glycine 0 C--N 1.344 0.989 0 CA-C-N 115.722 -0.672 . . . . 0.0 112.465 178.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -80.99 -28.62 35.48 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 122.709 0.404 . . . . 0.0 111.582 178.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 36.5 mtt -78.21 -34.93 49.08 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 116.252 -0.431 . . . . 0.0 112.138 179.695 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.46 ' HD2' ' O ' ' A' ' 33' ' ' LEU . 16.0 m-85 -77.0 -33.21 57.6 Favored 'General case' 0 N--CA 1.472 0.66 0 O-C-N 123.385 0.428 . . . . 0.0 112.028 179.737 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 69.8 p -86.57 -22.68 26.15 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.867 179.734 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 65.9 m80 63.01 104.47 0.03 OUTLIER 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 123.895 0.878 . . . . 0.0 111.811 -179.703 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -143.73 161.86 37.49 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.797 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -101.16 -40.77 7.02 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.574 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.92 -38.18 85.72 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 112.705 0.632 . . . . 0.0 112.705 -179.646 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 6.4 mp -69.87 -28.85 65.99 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 112.365 0.505 . . . . 0.0 112.365 -179.628 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -70.88 -37.26 73.04 Favored 'General case' 0 N--CA 1.472 0.659 0 O-C-N 123.262 0.351 . . . . 0.0 111.173 179.141 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 54.9 mt-30 -72.32 -37.62 68.87 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.561 178.782 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 16.3 t -69.12 -37.83 78.57 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.995 178.586 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 19.8 mt -70.72 -33.73 71.16 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.75 179.207 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -71.46 -41.11 69.81 Favored 'General case' 0 N--CA 1.474 0.759 0 O-C-N 123.414 0.447 . . . . 0.0 111.406 179.415 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -71.5 -37.84 62.18 Favored Glycine 0 C--N 1.344 1.02 0 CA-C-N 116.055 -0.52 . . . . 0.0 112.542 179.094 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.57 ' O ' HG23 ' A' ' 54' ' ' VAL . 41.6 mt-10 -71.05 -35.73 72.04 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 122.787 0.435 . . . . 0.0 111.022 179.261 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.8 tp -71.2 -35.01 71.39 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.853 179.167 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 54.0 mt-30 -73.22 -31.98 64.48 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.261 179.013 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 18.6 p -75.1 -35.9 61.72 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.397 179.055 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.57 HG23 ' O ' ' A' ' 50' ' ' GLU . 85.1 t -74.11 -34.42 38.3 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.31 179.138 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -74.23 -34.62 63.72 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.112 179.034 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -73.04 -34.39 66.28 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.96 178.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 18.5 p -73.48 -36.36 65.79 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.991 178.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.7 tt -69.98 -38.52 76.07 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.644 179.114 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 11.9 mm100 -69.66 -38.63 77.17 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.143 179.055 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -70.32 -29.41 66.12 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 115.8 -0.637 . . . . 0.0 111.29 178.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . 0.546 ' O ' ' HB2' ' A' ' 65' ' ' LEU . 5.6 tmm? -73.4 -43.27 60.88 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.096 179.315 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.426 ' H ' HG13 ' A' ' 62' ' ' ILE . 2.2 pp -75.09 -24.7 17.89 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.679 179.613 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.9 tp -82.3 -30.91 30.27 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.663 178.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 54.0 mt-30 -90.4 -15.73 30.43 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.294 179.265 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.546 ' HB2' ' O ' ' A' ' 61' ' ' MET . 2.3 tt . . . . . 0 N--CA 1.472 0.673 0 C-N-CA 122.81 0.444 . . . . 0.0 111.495 179.555 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 . . . . . 0 N--CA 1.468 0.452 0 CA-C-O 120.439 0.162 . . . . 0.0 111.046 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -76.87 -29.69 55.92 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.692 179.642 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 15.5 mt -84.67 -27.23 27.23 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.74 179.798 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -74.67 -39.56 61.95 Favored 'General case' 0 N--CA 1.473 0.686 0 O-C-N 123.256 0.347 . . . . 0.0 111.753 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -64.66 -39.53 93.84 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 122.804 0.442 . . . . 0.0 111.591 179.404 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.467 ' O ' HD23 ' A' ' 109' ' ' LEU . 97.1 mttt -78.16 -31.55 49.77 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.502 179.834 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -71.53 -40.1 70.3 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.551 179.191 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -75.86 -36.84 59.44 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.888 179.59 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 74.1 m -70.28 -41.74 73.0 Favored 'General case' 0 N--CA 1.473 0.69 0 O-C-N 123.228 0.33 . . . . 0.0 111.287 179.397 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.467 HD23 ' O ' ' A' ' 105' ' ' LYS . 4.3 mm? -72.31 -33.36 67.32 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.282 179.264 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -69.72 -35.3 74.91 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.881 178.473 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . 0.443 ' O ' ' HD2' ' A' ' 115' ' ' TYR . 66.0 mttm -73.83 -30.69 62.84 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.645 178.685 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.48 ' O ' HD12 ' A' ' 116' ' ' LEU . 38.5 mt-10 -71.43 -38.32 71.37 Favored 'General case' 0 N--CA 1.471 0.623 0 O-C-N 123.57 0.544 . . . . 0.0 111.172 178.711 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 15.6 mt -73.91 -33.22 36.22 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.109 178.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 -70.77 -36.35 73.02 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.147 178.704 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . 0.443 ' HD2' ' O ' ' A' ' 111' ' ' LYS . 4.0 m-85 -72.31 -36.04 68.79 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.7 178.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.48 HD12 ' O ' ' A' ' 112' ' ' GLU . 1.0 OUTLIER -67.31 -39.83 85.94 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.094 178.62 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 27.1 tttm -70.01 -37.19 75.58 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.99 179.608 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -68.97 -32.53 72.18 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.407 178.787 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 13.0 mt -72.78 -40.12 66.18 Favored 'General case' 0 N--CA 1.471 0.595 0 O-C-N 123.382 0.426 . . . . 0.0 111.525 179.43 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 11.5 mt -72.32 -33.31 45.61 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.215 178.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -73.04 -31.91 64.74 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.574 179.054 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -74.99 -37.2 61.92 Favored 'General case' 0 N--CA 1.471 0.586 0 O-C-N 123.4 0.437 . . . . 0.0 111.313 179.287 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 9.4 p -72.29 -36.35 55.29 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.907 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.636 179.047 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -71.16 -37.88 72.21 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.338 178.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -73.89 -30.23 62.5 Favored 'General case' 0 N--CA 1.471 0.625 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.778 179.379 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.5 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.771 179.516 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 4.3 m . . . . . 0 N--CA 1.472 0.67 0 N-CA-C 111.947 0.351 . . . . 0.0 111.947 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 52.5 m -89.88 -13.54 36.2 Favored 'General case' 0 CA--C 1.537 0.446 0 O-C-N 123.428 0.455 . . . . 0.0 112.022 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -96.5 -29.01 14.14 Favored 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 112.203 0.446 . . . . 0.0 112.203 -179.63 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -84.41 -22.02 30.58 Favored 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 112.124 0.416 . . . . 0.0 112.124 -179.696 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.4 m -71.72 -37.4 62.55 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 N-CA-C 112.673 0.62 . . . . 0.0 112.673 -179.803 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.402 ' O ' ' HB2' ' A' ' 19' ' ' GLU . . . -59.35 -39.37 94.65 Favored Glycine 0 C--N 1.342 0.916 0 CA-C-N 116.24 -0.436 . . . . 0.0 113.829 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -76.68 -35.58 57.82 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 122.553 0.341 . . . . 0.0 111.489 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.486 ' HD3' ' SD ' ' A' ' 61' ' ' MET . 97.4 mttt -74.39 -34.16 63.23 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.038 179.303 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.423 ' O ' HG22 ' A' ' 21' ' ' ILE . 91.8 m -74.54 -36.21 63.14 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.729 178.852 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.572 ' O ' HG22 ' A' ' 23' ' ' VAL . 9.3 tt0 -70.33 -36.53 74.32 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.988 178.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.53 -38.61 68.0 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.519 179.275 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.423 HG22 ' O ' ' A' ' 18' ' ' CYS . 1.7 tp -72.31 -27.6 26.84 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.816 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.391 178.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -73.19 -43.64 38.51 Favored Glycine 0 C--N 1.348 1.219 0 CA-C-N 115.774 -0.648 . . . . 0.0 112.355 178.791 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.572 HG22 ' O ' ' A' ' 19' ' ' GLU . 2.8 m -71.06 -31.86 46.24 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 CA-C-O 120.63 0.252 . . . . 0.0 111.019 178.81 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 38.0 mttp -73.9 -35.13 64.63 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.929 178.436 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.478 ' O ' ' HB2' ' A' ' 29' ' ' GLU . 2.6 tt -70.01 -37.37 75.65 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 123.057 0.543 . . . . 0.0 111.096 179.231 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.4 mt -73.96 -36.87 64.63 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.467 179.386 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 8.5 t-80 -74.12 -35.85 64.17 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.893 179.202 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.451 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 2.6 tt -74.98 -30.55 61.21 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.809 179.199 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.533 ' O ' HD23 ' A' ' 33' ' ' LEU . 12.4 tt0 -73.97 -38.68 64.1 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.599 179.197 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -69.99 -38.9 76.13 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.812 178.776 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 53.6 mt-30 -74.07 -28.67 61.51 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.52 179.418 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.555 ' O ' ' HB2' ' A' ' 36' ' ' MET . 2.0 tt -75.43 -37.92 60.1 Favored 'General case' 0 N--CA 1.471 0.609 0 O-C-N 123.43 0.457 . . . . 0.0 111.079 179.537 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.533 HD23 ' O ' ' A' ' 29' ' ' GLU . 3.8 mm? -71.54 -39.19 70.87 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.812 179.078 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -71.79 -33.33 63.21 Favored Glycine 0 C--N 1.344 0.995 0 CA-C-N 115.682 -0.69 . . . . 0.0 112.438 178.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -81.22 -22.53 38.73 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 122.617 0.367 . . . . 0.0 111.699 178.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.555 ' HB2' ' O ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -79.79 -38.43 33.07 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.415 179.659 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.431 ' HD1' ' O ' ' A' ' 33' ' ' LEU . 33.7 m-85 -81.11 -35.35 31.74 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.962 179.49 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 14.6 t -86.53 -32.36 20.77 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.47 179.686 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 9.2 t-80 61.5 109.85 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 123.901 0.881 . . . . 0.0 111.822 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -143.02 165.38 27.54 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.387 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -93.1 -40.24 10.62 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.492 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.95 -40.23 87.46 Favored 'General case' 0 N--CA 1.473 0.675 0 N-CA-C 112.741 0.645 . . . . 0.0 112.741 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 22.0 mt -71.76 -30.02 65.12 Favored 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 112.271 0.471 . . . . 0.0 112.271 -179.563 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -70.86 -37.14 73.09 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 122.429 0.291 . . . . 0.0 111.473 179.609 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -72.76 -40.16 66.21 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.511 178.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 56.2 m -69.08 -37.89 78.7 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.24 178.648 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.472 ' O ' ' HB2' ' A' ' 51' ' ' LEU . 15.5 mt -70.97 -33.67 70.66 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.937 179.407 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -72.65 -39.64 67.0 Favored 'General case' 0 N--CA 1.472 0.674 0 O-C-N 123.382 0.426 . . . . 0.0 111.547 179.654 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -71.57 -37.31 62.11 Favored Glycine 0 C--N 1.343 0.965 0 CA-C-N 116.187 -0.461 . . . . 0.0 112.52 179.097 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -73.04 -35.31 66.71 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 122.963 0.505 . . . . 0.0 110.96 179.174 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.472 ' HB2' ' O ' ' A' ' 47' ' ' LEU . 2.3 tt -71.17 -35.19 71.54 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.017 179.354 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -73.93 -35.0 64.54 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.098 179.006 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 19.2 p -73.16 -34.03 65.82 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.477 178.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.427 HG12 ' O ' ' A' ' 51' ' ' LEU . 6.9 p -75.37 -34.26 29.87 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.862 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.626 179.423 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 44.9 mttm -73.68 -32.93 64.21 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.024 178.698 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -72.75 -38.25 67.44 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.473 178.703 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 12.7 p -71.1 -35.94 71.99 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.184 178.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.5 tt -71.24 -36.27 71.75 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.624 179.248 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.439 ' O ' HG13 ' A' ' 62' ' ' ILE . 50.0 mt-30 -69.44 -37.33 77.33 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.962 178.771 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.73 -34.09 73.36 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.186 178.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . 0.486 ' SD ' ' HD3' ' A' ' 17' ' ' LYS . 38.5 mmm -69.9 -41.01 75.26 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 115.815 -0.629 . . . . 0.0 111.602 179.072 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.439 HG13 ' O ' ' A' ' 59' ' ' GLN . 1.7 pp -75.62 -27.26 18.72 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 CA-C-N 116.297 -0.411 . . . . 0.0 112.092 179.628 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 23.4 mt -79.32 -30.73 42.91 Favored 'General case' 0 N--CA 1.471 0.625 0 O-C-N 123.343 0.402 . . . . 0.0 111.274 179.063 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 4.4 tp60 -83.79 -30.27 26.71 Favored 'General case' 0 CA--C 1.537 0.456 0 O-C-N 123.487 0.492 . . . . 0.0 111.119 179.213 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 16.4 mt . . . . . 0 C--O 1.238 0.469 0 CA-C-O 121.412 0.625 . . . . 0.0 110.304 179.664 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 . . . . . 0 N--CA 1.47 0.548 0 N-CA-C 111.697 0.258 . . . . 0.0 111.697 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -76.84 -29.88 56.09 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 112.248 0.462 . . . . 0.0 112.248 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 12.3 mt -83.85 -26.69 29.27 Favored 'General case' 0 N--CA 1.47 0.56 0 O-C-N 123.463 0.477 . . . . 0.0 111.961 -179.672 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -72.63 -37.93 67.89 Favored 'General case' 0 N--CA 1.473 0.706 0 N-CA-C 112.011 0.375 . . . . 0.0 112.011 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -64.61 -41.38 96.24 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 122.719 0.408 . . . . 0.0 111.603 179.533 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -74.94 -34.27 62.07 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 115.954 -0.567 . . . . 0.0 111.396 179.751 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -71.43 -37.81 71.41 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.707 179.331 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -75.67 -33.22 60.4 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.606 179.522 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 68.8 m -72.89 -38.96 66.77 Favored 'General case' 0 N--CA 1.471 0.595 0 O-C-N 123.293 0.371 . . . . 0.0 111.382 179.125 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 21.3 mt -75.82 -31.68 59.49 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.322 179.541 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.403 ' HA ' HG22 ' A' ' 113' ' ' ILE . . . -73.82 -36.83 64.99 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.347 179.227 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -74.71 -34.69 62.65 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.95 179.148 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.507 ' O ' ' HB2' ' A' ' 116' ' ' LEU . 40.2 mt-10 -73.91 -32.61 63.62 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.591 178.855 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.403 HG22 ' HA ' ' A' ' 110' ' ' ALA . 3.3 tp -77.27 -33.34 19.85 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.761 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.802 179.36 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -73.7 -36.93 65.3 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.884 178.721 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -72.76 -35.95 67.58 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.08 178.735 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.623 ' O ' HG12 ' A' ' 120' ' ' ILE . 0.2 OUTLIER -66.29 -40.23 89.89 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.657 178.828 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -66.06 -44.09 85.52 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.033 179.111 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . 0.456 ' O ' ' HB2' ' A' ' 122' ' ' GLU . 10.4 m-20 -68.9 -24.86 64.36 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.99 178.358 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.543 ' O ' HG22 ' A' ' 123' ' ' VAL . 1.2 tt -73.32 -38.9 65.64 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.11 179.288 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . 0.623 HG12 ' O ' ' A' ' 116' ' ' LEU . 26.6 mm -71.96 -37.82 62.23 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.11 179.065 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -72.7 -28.36 62.63 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.376 179.075 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . 0.456 ' HB2' ' O ' ' A' ' 118' ' ' ASP . 11.3 tt0 -75.93 -39.17 56.69 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.207 179.506 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.543 HG22 ' O ' ' A' ' 119' ' ' LEU . 5.8 m -73.62 -33.37 38.61 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 O-C-N 123.247 0.342 . . . . 0.0 110.946 178.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 37.7 ttt180 -70.92 -38.99 72.94 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.835 178.678 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -74.09 -30.45 62.36 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.645 179.119 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.534 0 CA-C-N 116.202 -0.454 . . . . 0.0 112.131 179.806 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 4.3 m . . . . . 0 N--CA 1.473 0.691 0 N-CA-C 112.238 0.459 . . . . 0.0 112.238 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 13.9 t -101.91 -16.0 16.67 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.777 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -95.93 -30.73 13.47 Favored 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 112.182 0.438 . . . . 0.0 112.182 -179.52 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -83.32 -22.12 33.0 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 112.378 0.51 . . . . 0.0 112.378 -179.734 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.7 m -71.89 -38.83 66.19 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 N-CA-C 112.533 0.568 . . . . 0.0 112.533 -179.779 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -65.67 -41.47 95.9 Favored Glycine 0 C--N 1.341 0.832 0 O-C-N 123.472 0.483 . . . . 0.0 113.633 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -72.38 -39.43 68.01 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 122.516 0.326 . . . . 0.0 111.323 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.659 ' O ' HG12 ' A' ' 21' ' ' ILE . 96.9 mttt -70.19 -34.84 73.44 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.041 179.436 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 47.4 t -70.95 -36.71 72.69 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.714 178.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.559 ' O ' HG22 ' A' ' 23' ' ' VAL . 41.3 mt-10 -69.83 -31.81 69.88 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.796 178.59 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -71.81 -39.94 69.5 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.314 178.756 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.659 HG12 ' O ' ' A' ' 17' ' ' LYS . 36.4 mm -71.91 -27.58 27.92 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.932 178.62 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -71.73 -44.36 48.54 Favored Glycine 0 C--N 1.346 1.104 0 O-C-N 123.587 0.555 . . . . 0.0 112.554 178.74 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.559 HG22 ' O ' ' A' ' 19' ' ' GLU . 2.9 m -71.22 -33.0 49.24 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 CA-C-O 120.579 0.228 . . . . 0.0 111.332 179.085 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.4 ' O ' ' HB2' ' A' ' 28' ' ' LEU . 96.8 mttt -73.73 -33.69 64.44 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.861 178.796 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.425 ' HB2' ' O ' ' A' ' 21' ' ' ILE . 4.9 tp -70.03 -39.8 75.54 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.937 179.042 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.7 mt -70.01 -40.27 75.33 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.211 179.188 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 6.4 t-80 -70.08 -32.52 70.63 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.609 178.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.489 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 4.7 tp -74.76 -29.46 61.14 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.636 178.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -72.13 -40.37 68.13 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.515 179.087 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -69.7 -38.08 76.82 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.722 178.616 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 -74.19 -25.21 59.56 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.951 178.701 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.489 ' HB2' ' O ' ' A' ' 28' ' ' LEU . 3.5 tt -74.16 -40.11 62.79 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.722 179.172 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.438 ' O ' ' HD1' ' A' ' 37' ' ' TYR . 4.9 tp -71.15 -39.18 72.1 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.416 179.034 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -72.05 -29.98 66.07 Favored Glycine 0 C--N 1.342 0.897 0 CA-C-N 115.674 -0.693 . . . . 0.0 112.978 179.043 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -81.26 -29.33 34.41 Favored 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 112.004 0.372 . . . . 0.0 112.004 179.581 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 37.6 mtt -80.58 -34.66 35.1 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.438 ' HD1' ' O ' ' A' ' 33' ' ' LEU . 25.4 m-85 -81.21 -38.79 26.43 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 111.96 0.356 . . . . 0.0 111.96 179.716 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 54.9 m -86.69 -8.67 57.22 Favored 'General case' 0 N--CA 1.469 0.516 0 O-C-N 123.398 0.436 . . . . 0.0 112.049 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 29.8 p80 46.37 102.63 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.596 0 C-N-CA 124.678 1.191 . . . . 0.0 113.247 -179.68 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -135.88 160.36 38.84 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.827 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -98.94 -39.92 8.33 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.592 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.84 -33.77 76.34 Favored 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 112.84 0.682 . . . . 0.0 112.84 -179.745 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.568 ' O ' ' HB2' ' A' ' 47' ' ' LEU . 4.8 mt -72.41 -28.5 63.02 Favored 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 -179.72 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -74.95 -36.71 62.1 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 122.401 0.28 . . . . 0.0 111.398 179.32 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 19.6 mm-40 -72.07 -40.92 67.93 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.593 179.228 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 16.1 t -69.15 -35.04 75.92 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.917 178.621 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.568 ' HB2' ' O ' ' A' ' 43' ' ' LEU . 0.2 OUTLIER -70.64 -34.38 72.0 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.389 179.135 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 53.2 mt-30 -71.77 -39.9 69.65 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.28 179.305 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -71.42 -37.8 62.53 Favored Glycine 0 C--N 1.343 0.954 0 CA-C-N 116.129 -0.487 . . . . 0.0 112.642 179.137 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.594 ' O ' HG23 ' A' ' 54' ' ' VAL . 42.3 mt-10 -71.32 -35.9 71.39 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 122.828 0.451 . . . . 0.0 111.071 179.214 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.6 tp -71.38 -35.06 70.95 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.929 179.185 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 11.7 mm100 -72.97 -32.56 65.28 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.196 178.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 18.5 p -73.98 -36.26 64.53 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.602 178.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.594 HG23 ' O ' ' A' ' 50' ' ' GLU . 78.3 t -73.5 -34.25 41.91 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.29 178.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -72.07 -36.66 69.63 Favored 'General case' 0 N--CA 1.471 0.625 0 O-C-N 123.389 0.43 . . . . 0.0 111.092 178.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -72.82 -32.76 65.74 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.141 178.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 16.5 p -73.71 -35.52 65.14 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.171 178.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 21.3 mt -71.2 -38.42 72.08 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.894 178.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.451 ' O ' HG13 ' A' ' 62' ' ' ILE . 47.2 mt-30 -69.49 -37.62 77.31 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.69 178.572 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.455 ' O ' ' HB2' ' A' ' 64' ' ' GLN . . . -69.89 -30.66 68.15 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.049 178.834 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . 0.432 ' O ' HD12 ' A' ' 65' ' ' LEU . 82.8 mtp -71.64 -43.69 65.68 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.324 178.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.451 HG13 ' O ' ' A' ' 59' ' ' GLN . 1.4 pt -75.22 -22.88 16.87 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.687 179.427 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 2.8 tt -86.72 -25.39 24.76 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.18 179.157 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.455 ' HB2' ' O ' ' A' ' 60' ' ' ALA . 3.8 tp60 -89.4 -26.92 20.76 Favored 'General case' 0 CA--C 1.539 0.521 0 O-C-N 123.362 0.413 . . . . 0.0 111.47 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.432 HD12 ' O ' ' A' ' 61' ' ' MET . 6.7 mt . . . . . 0 N--CA 1.471 0.612 0 N-CA-C 111.905 0.335 . . . . 0.0 111.905 179.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 . . . . . 0 N--CA 1.469 0.485 0 N-CA-C 111.452 0.167 . . . . 0.0 111.452 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -76.77 -29.74 56.2 Favored 'General case' 0 N--CA 1.47 0.547 0 O-C-N 123.425 0.453 . . . . 0.0 111.973 179.66 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 11.1 mt -79.69 -26.64 40.86 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 116.001 -0.545 . . . . 0.0 112.018 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -70.86 -39.19 73.04 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 122.669 0.388 . . . . 0.0 111.979 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -64.68 -40.36 95.26 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 122.79 0.436 . . . . 0.0 111.728 179.794 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -77.23 -30.65 54.65 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.548 179.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -71.77 -39.22 70.1 Favored 'General case' 0 N--CA 1.47 0.562 0 O-C-N 123.474 0.484 . . . . 0.0 111.66 179.203 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -75.78 -37.63 59.03 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 115.855 -0.612 . . . . 0.0 111.606 179.468 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 68.0 m -70.54 -37.46 74.07 Favored 'General case' 0 N--CA 1.47 0.572 0 O-C-N 123.221 0.326 . . . . 0.0 111.288 179.313 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 4.7 tp -73.25 -36.78 66.45 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.878 179.313 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.414 ' O ' ' HB2' ' A' ' 114' ' ' GLN . . . -71.3 -30.94 66.85 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.261 179.075 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 55.5 mttp -77.22 -32.22 55.75 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.794 178.767 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -73.45 -35.13 65.71 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.425 178.777 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 24.7 mt -77.95 -32.93 17.91 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 N-CA-C 109.776 -0.454 . . . . 0.0 109.776 178.535 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . 0.414 ' HB2' ' O ' ' A' ' 110' ' ' ALA . 14.7 tt0 -67.85 -37.87 82.41 Favored 'General case' 0 N--CA 1.469 0.512 0 O-C-N 123.453 0.471 . . . . 0.0 110.191 178.383 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 12.1 t80 -73.6 -35.83 65.42 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.936 178.488 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.605 ' O ' HG12 ' A' ' 120' ' ' ILE . 10.1 tp -67.24 -36.88 82.57 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.7 178.74 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 62.4 mttm -69.19 -43.35 74.34 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.714 178.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -68.68 -25.01 64.58 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.639 178.054 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.582 ' O ' HG22 ' A' ' 123' ' ' VAL . 2.3 tt -71.5 -42.79 67.57 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.563 179.011 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . 0.605 HG12 ' O ' ' A' ' 116' ' ' LEU . 26.2 mm -69.21 -34.41 63.01 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.182 178.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -72.49 -30.99 65.01 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.5 179.113 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -74.57 -37.47 62.94 Favored 'General case' 0 N--CA 1.471 0.611 0 O-C-N 123.346 0.404 . . . . 0.0 111.603 179.435 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.582 HG22 ' O ' ' A' ' 119' ' ' LEU . 2.5 m -74.6 -33.13 31.22 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 O-C-N 123.261 0.351 . . . . 0.0 111.063 178.609 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -70.8 -38.31 73.34 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.321 178.534 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -74.1 -38.01 63.99 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.898 179.769 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.521 0 CA-C-N 116.157 -0.474 . . . . 0.0 112.2 -179.84 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.454 ' O ' HG22 ' A' ' 14' ' ' VAL . 3.2 m . . . . . 0 N--CA 1.472 0.665 0 N-CA-C 111.382 0.141 . . . . 0.0 111.382 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 14.2 t -83.88 -15.88 46.46 Favored 'General case' 0 N--CA 1.469 0.489 0 O-C-N 123.542 0.526 . . . . 0.0 111.77 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -97.2 -17.44 19.87 Favored 'General case' 0 CA--C 1.533 0.311 0 O-C-N 123.318 0.386 . . . . 0.0 111.927 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -90.57 -25.7 20.07 Favored 'General case' 0 N--CA 1.47 0.555 0 O-C-N 123.232 0.332 . . . . 0.0 111.779 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.454 HG22 ' O ' ' A' ' 10' ' ' VAL . 2.5 m -77.26 -38.41 27.05 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 N-CA-C 112.216 0.45 . . . . 0.0 112.216 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -62.73 -34.92 91.07 Favored Glycine 0 C--N 1.342 0.907 0 O-C-N 123.556 0.535 . . . . 0.0 113.704 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -75.89 -33.88 59.95 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 122.534 0.334 . . . . 0.0 111.211 179.419 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -74.81 -33.96 62.29 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.789 178.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 49.2 t -72.53 -39.14 67.77 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.793 178.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.561 ' O ' HG22 ' A' ' 23' ' ' VAL . 42.0 mt-10 -70.22 -36.6 74.65 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.718 179.105 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -71.98 -39.18 69.48 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.593 179.656 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.627 HD11 HG13 ' A' ' 54' ' ' VAL . 4.0 tp -72.91 -27.5 24.99 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.802 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.293 178.757 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -70.01 -44.91 59.42 Favored Glycine 0 C--N 1.349 1.265 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.918 178.198 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.561 HG22 ' O ' ' A' ' 19' ' ' GLU . 2.6 m -71.26 -29.19 34.98 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 CA-C-O 120.691 0.282 . . . . 0.0 110.778 178.422 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.413 ' O ' ' HB2' ' A' ' 28' ' ' LEU . 40.4 tttt -74.37 -34.42 63.36 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.5 178.387 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 6.5 tp -70.08 -39.22 75.71 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.115 179.228 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.6 mt -71.76 -38.73 70.34 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.287 179.142 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 3.9 t60 -71.72 -33.9 69.13 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.736 179.15 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.517 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 2.7 tt -75.08 -30.22 60.87 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.71 179.028 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -71.01 -42.06 70.09 Favored 'General case' 0 N--CA 1.47 0.541 0 O-C-N 123.473 0.483 . . . . 0.0 110.59 179.251 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -68.94 -38.68 79.62 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.272 178.611 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 12.4 tt0 -74.4 -21.74 59.5 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.76 178.641 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.517 ' HB2' ' O ' ' A' ' 28' ' ' LEU . 3.9 tt -75.18 -42.83 55.0 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 122.944 0.498 . . . . 0.0 110.586 179.27 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 11.5 mt -71.84 -36.19 70.09 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.613 178.692 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -72.0 -31.76 64.04 Favored Glycine 0 C--N 1.345 1.057 0 CA-C-N 115.536 -0.757 . . . . 0.0 112.67 178.764 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -81.1 -27.67 35.51 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 122.521 0.328 . . . . 0.0 111.519 179.176 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 80.8 mtp -80.26 -30.33 38.43 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.712 179.558 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 10.6 t80 -78.68 -39.27 37.18 Favored 'General case' 0 N--CA 1.469 0.5 0 O-C-N 123.397 0.436 . . . . 0.0 111.463 179.656 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 74.8 p -86.73 -11.31 51.51 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 116.131 -0.486 . . . . 0.0 112.084 179.749 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 30.7 p80 46.94 102.84 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.478 0 C-N-CA 124.755 1.222 . . . . 0.0 113.116 -179.585 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -134.27 159.69 40.2 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.987 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -97.01 -37.62 10.1 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.493 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.79 -38.27 86.2 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.012 0.525 . . . . 0.0 112.413 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.468 ' O ' ' HB2' ' A' ' 47' ' ' LEU . 8.2 mt -70.68 -28.33 64.7 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 115.993 -0.549 . . . . 0.0 112.099 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -72.62 -37.78 67.96 Favored 'General case' 0 N--CA 1.472 0.634 0 O-C-N 123.306 0.378 . . . . 0.0 111.085 179.507 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 54.8 mt-30 -71.51 -40.95 69.81 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.7 179.22 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 55.6 m -68.95 -34.62 75.65 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.89 178.596 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.468 ' HB2' ' O ' ' A' ' 43' ' ' LEU . 1.8 tt -70.74 -33.96 71.37 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.176 179.121 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 54.0 mt-30 -71.3 -39.46 71.46 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.26 179.135 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -70.51 -35.98 68.44 Favored Glycine 0 C--N 1.345 1.03 0 CA-C-N 115.916 -0.584 . . . . 0.0 112.428 178.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.553 ' O ' HG23 ' A' ' 54' ' ' VAL . 43.8 mt-10 -72.09 -35.73 69.29 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 122.867 0.467 . . . . 0.0 110.929 179.039 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.2 tt -69.39 -36.33 76.67 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.668 179.017 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -71.32 -35.27 71.17 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.109 178.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 18.3 p -72.38 -32.01 66.06 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.469 178.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.627 HG13 HD11 ' A' ' 21' ' ' ILE . 74.7 t -74.43 -34.48 36.28 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.209 178.676 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 81.0 mttt -71.42 -36.41 71.31 Favored 'General case' 0 N--CA 1.472 0.626 0 O-C-N 123.407 0.442 . . . . 0.0 111.103 178.574 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -72.66 -35.31 67.7 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.181 179.009 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 18.8 p -73.42 -31.98 64.15 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.078 178.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.6 mt -71.98 -39.97 68.93 Favored 'General case' 0 C--N 1.345 0.392 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.035 178.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -69.55 -37.89 77.24 Favored 'General case' 0 N--CA 1.472 0.627 0 O-C-N 123.556 0.535 . . . . 0.0 110.936 178.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.489 ' O ' ' HB2' ' A' ' 64' ' ' GLN . . . -70.11 -32.02 69.85 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.238 178.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . 0.558 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 9.9 ttt -71.16 -43.45 67.49 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.229 179.481 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 2.2 pp -75.54 -24.65 17.25 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.846 0 O-C-N 123.346 0.404 . . . . 0.0 111.726 179.514 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.7 tp -84.48 -24.3 29.51 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.057 179.174 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.489 ' HB2' ' O ' ' A' ' 60' ' ' ALA . 5.1 tt0 -85.07 -36.07 21.44 Favored 'General case' 0 N--CA 1.468 0.459 0 O-C-N 123.405 0.441 . . . . 0.0 111.301 179.488 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.558 ' HG ' ' O ' ' A' ' 61' ' ' MET . 0.8 OUTLIER . . . . . 0 CA--C 1.536 0.44 0 CA-C-O 121.461 0.648 . . . . 0.0 110.723 179.803 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 . . . . . 0 N--CA 1.469 0.509 0 N-CA-C 111.755 0.28 . . . . 0.0 111.755 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -76.97 -31.0 56.25 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 112.128 0.418 . . . . 0.0 112.128 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 13.4 mt -86.32 -29.86 22.69 Favored 'General case' 0 N--CA 1.47 0.565 0 O-C-N 123.397 0.435 . . . . 0.0 111.734 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -72.98 -43.44 62.22 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 122.546 0.338 . . . . 0.0 111.541 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -64.83 -37.82 88.92 Favored 'General case' 0 N--CA 1.474 0.772 0 O-C-N 123.465 0.478 . . . . 0.0 111.526 179.246 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -74.29 -34.25 63.48 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.569 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -69.71 -37.89 76.72 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.647 179.372 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -75.72 -34.49 60.35 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.346 179.442 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 70.6 m -70.63 -40.09 73.33 Favored 'General case' 0 N--CA 1.471 0.58 0 O-C-N 123.32 0.388 . . . . 0.0 111.187 179.07 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 23.8 mt -71.36 -37.49 71.64 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.135 179.278 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -69.59 -33.16 72.31 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.183 179.024 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . 0.456 ' O ' ' HB2' ' A' ' 115' ' ' TYR . 92.8 mttt -75.61 -29.86 59.38 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.881 178.829 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -73.49 -37.41 65.73 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.48 178.738 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 13.9 mt -74.66 -36.61 41.12 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.222 179.178 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 53.8 mt-30 -71.87 -32.97 68.0 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.933 178.765 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . 0.456 ' HB2' ' O ' ' A' ' 111' ' ' LYS . 9.0 t80 -72.78 -37.35 67.64 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.563 179.171 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.674 ' O ' HG12 ' A' ' 120' ' ' ILE . 16.1 mt -67.74 -38.79 83.98 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.751 178.548 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -66.44 -41.42 89.15 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.145 179.122 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . 0.437 ' O ' ' HB2' ' A' ' 122' ' ' GLU . 20.0 m-20 -68.97 -29.32 67.51 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.519 178.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 18.1 mt -74.36 -35.39 63.54 Favored 'General case' 0 N--CA 1.47 0.561 0 O-C-N 123.429 0.455 . . . . 0.0 111.775 179.126 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . 0.674 HG12 ' O ' ' A' ' 116' ' ' LEU . 32.3 mm -74.05 -37.5 47.14 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 O-C-N 123.211 0.319 . . . . 0.0 110.533 179.229 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -73.06 -33.54 65.71 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.517 179.117 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . 0.437 ' HB2' ' O ' ' A' ' 118' ' ' ASP . 3.0 tp10 -76.19 -33.65 59.31 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.421 179.81 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 9.9 p -77.79 -33.42 18.76 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.754 0 O-C-N 123.409 0.443 . . . . 0.0 110.437 178.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . 0.414 ' HB2' ' O ' ' A' ' 120' ' ' ILE . 35.8 ttt180 -71.17 -37.91 72.18 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.987 178.802 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -74.09 -41.46 61.65 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.853 179.616 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.477 0 CA-C-N 116.228 -0.442 . . . . 0.0 112.022 -179.95 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 4.0 m . . . . . 0 N--CA 1.473 0.693 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 53.4 m -92.36 -14.38 28.78 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.927 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -95.41 -24.59 16.63 Favored 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 -179.635 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -86.57 -22.08 26.48 Favored 'General case' 0 N--CA 1.471 0.581 0 N-CA-C 112.172 0.434 . . . . 0.0 112.172 -179.697 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.7 m -71.18 -39.82 73.9 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 N-CA-C 112.619 0.6 . . . . 0.0 112.619 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -64.68 -42.39 97.27 Favored Glycine 0 C--N 1.343 0.918 0 CA-C-N 116.192 -0.458 . . . . 0.0 113.645 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -73.11 -38.04 66.48 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 122.535 0.334 . . . . 0.0 111.471 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.653 ' O ' HG12 ' A' ' 21' ' ' ILE . 95.9 mttt -70.85 -35.47 72.42 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.223 179.352 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 66.0 m -71.28 -36.47 71.7 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.685 178.695 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.565 ' O ' HG22 ' A' ' 23' ' ' VAL . 41.1 mt-10 -69.89 -31.57 69.44 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.789 178.376 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.13 -39.74 68.58 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.397 178.775 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.653 HG12 ' O ' ' A' ' 17' ' ' LYS . 39.9 mm -72.29 -27.63 26.97 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.775 0 CA-C-N 116.166 -0.47 . . . . 0.0 109.898 178.619 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -71.59 -44.09 50.59 Favored Glycine 0 C--N 1.348 1.197 0 CA-C-N 115.967 -0.56 . . . . 0.0 112.305 178.788 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.565 HG22 ' O ' ' A' ' 19' ' ' GLU . 3.0 m -71.32 -33.18 49.45 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 CA-C-O 120.562 0.22 . . . . 0.0 111.276 179.043 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.441 ' O ' ' HB2' ' A' ' 28' ' ' LEU . 96.7 mttt -73.25 -33.75 65.47 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.928 178.789 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.43 ' HB2' ' O ' ' A' ' 21' ' ' ILE . 4.7 tp -70.13 -40.35 74.88 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.169 179.124 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.4 mt -69.31 -43.42 73.81 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.284 179.539 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.638 ' O ' ' HG2' ' A' ' 31' ' ' GLN . 17.3 m-70 -67.97 -31.95 72.03 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.057 178.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.478 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 4.8 tp -71.9 -34.49 69.17 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.559 178.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.424 ' HG3' ' O ' ' A' ' 25' ' ' LEU . 42.8 mt-10 -69.99 -36.17 74.95 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.901 178.794 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -68.05 -44.85 75.45 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.224 178.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.638 ' HG2' ' O ' ' A' ' 27' ' ' HIS . 8.5 pt20 -74.39 -21.56 59.59 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.462 179.063 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.478 ' HB2' ' O ' ' A' ' 28' ' ' LEU . 4.0 tt -72.68 -44.89 61.21 Favored 'General case' 0 N--CA 1.471 0.584 0 O-C-N 123.427 0.454 . . . . 0.0 110.68 179.079 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.3 mp -71.19 -35.72 71.67 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.597 178.678 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -72.08 -30.63 65.09 Favored Glycine 0 C--N 1.345 1.028 0 CA-C-N 115.73 -0.668 . . . . 0.0 112.889 178.592 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -81.25 -29.01 34.52 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 111.903 0.334 . . . . 0.0 111.903 179.539 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 47.0 mtt -80.8 -34.42 34.05 Favored 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 111.929 0.344 . . . . 0.0 111.929 179.794 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 8.9 t80 -81.21 -43.43 19.28 Favored 'General case' 0 N--CA 1.469 0.482 0 O-C-N 123.303 0.377 . . . . 0.0 111.646 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 53.2 m -86.78 -18.13 31.82 Favored 'General case' 0 N--CA 1.469 0.516 0 O-C-N 123.584 0.552 . . . . 0.0 112.307 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 72.1 m-70 62.29 108.98 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 123.762 0.825 . . . . 0.0 111.631 -179.623 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.408 ' CB ' HD12 ' A' ' 43' ' ' LEU . 7.6 m-20 -139.99 157.11 46.19 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.048 -179.653 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -103.79 -40.19 6.35 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.446 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.86 -37.02 83.64 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 112.523 0.564 . . . . 0.0 112.523 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.463 ' O ' ' HB2' ' A' ' 47' ' ' LEU . 11.7 mt -70.9 -28.42 64.52 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 115.997 -0.547 . . . . 0.0 112.038 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -73.76 -37.36 65.05 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 122.646 0.378 . . . . 0.0 111.183 179.424 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 13.9 tt0 -71.13 -41.47 70.45 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.59 179.281 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 42.2 p -69.1 -34.47 75.15 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.105 178.706 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.463 ' HB2' ' O ' ' A' ' 43' ' ' LEU . 2.2 tt -70.77 -34.47 71.84 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.316 179.24 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 54.0 mt-30 -72.51 -39.88 67.27 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 116.059 -0.518 . . . . 0.0 111.648 179.516 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -71.61 -36.89 62.11 Favored Glycine 0 C--N 1.343 0.946 0 CA-C-N 116.096 -0.502 . . . . 0.0 112.789 179.296 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -73.45 -35.38 65.75 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 122.88 0.472 . . . . 0.0 111.342 179.403 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.429 ' O ' HG12 ' A' ' 54' ' ' VAL . 2.6 tt -72.23 -36.39 69.1 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.267 179.535 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -73.81 -35.21 64.85 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.115 179.191 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 18.1 p -73.44 -33.76 65.08 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.532 178.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.429 HG12 ' O ' ' A' ' 51' ' ' LEU . 6.9 p -74.96 -34.24 31.99 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.747 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.613 179.366 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 75.8 mttt -72.53 -35.63 68.12 Favored 'General case' 0 N--CA 1.47 0.542 0 O-C-N 123.466 0.479 . . . . 0.0 111.052 178.759 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -72.67 -34.82 67.48 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.082 178.823 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 16.3 p -72.64 -36.0 67.9 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.399 179.007 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 24.5 mt -71.95 -36.49 69.89 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.957 179.056 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.452 ' O ' ' HB2' ' A' ' 63' ' ' LEU . 46.5 mt-30 -69.47 -37.92 77.48 Favored 'General case' 0 N--CA 1.472 0.642 0 O-C-N 123.515 0.51 . . . . 0.0 110.826 178.558 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.505 ' O ' ' HG2' ' A' ' 64' ' ' GLN . . . -69.42 -33.47 73.03 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.926 178.847 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 24.8 mmm -67.93 -45.19 75.0 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.525 179.035 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.423 ' H ' HG13 ' A' ' 62' ' ' ILE . 2.1 pp -75.75 -21.05 15.79 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.767 179.423 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.452 ' HB2' ' O ' ' A' ' 59' ' ' GLN . 2.5 tt -79.29 -34.11 42.73 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.374 179.398 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.505 ' HG2' ' O ' ' A' ' 60' ' ' ALA . 11.3 pt20 -85.29 -32.19 22.66 Favored 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 111.994 0.368 . . . . 0.0 111.994 179.77 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 16.2 mt . . . . . 0 N--CA 1.471 0.583 0 N-CA-C 112.002 0.371 . . . . 0.0 112.002 -179.932 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 . . . . . 0 N--CA 1.47 0.542 0 CA-C-O 120.486 0.184 . . . . 0.0 110.954 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -76.81 -29.54 56.01 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.602 179.578 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 13.6 mt -83.43 -26.57 30.25 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.788 179.789 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -71.12 -43.66 67.17 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.771 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -64.87 -39.68 93.92 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 122.947 0.499 . . . . 0.0 111.692 179.447 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 58.9 mttp -74.45 -31.02 62.11 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.662 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -71.55 -38.22 71.04 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.577 179.523 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -75.71 -35.9 60.15 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.433 179.321 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . 0.455 ' O ' ' HG3' ' A' ' 112' ' ' GLU . 16.4 t -70.24 -42.07 72.69 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.134 179.294 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 20.9 mt -72.31 -33.63 67.51 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 115.932 -0.577 . . . . 0.0 111.12 179.4 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -69.67 -34.76 74.42 Favored 'General case' 0 N--CA 1.47 0.525 0 O-C-N 123.401 0.438 . . . . 0.0 110.845 178.542 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -74.79 -29.96 61.28 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.52 178.487 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.455 ' HG3' ' O ' ' A' ' 108' ' ' SER . 42.2 mt-10 -71.47 -38.26 71.25 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.381 178.727 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 12.1 mt -75.2 -34.11 30.35 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.189 179.077 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 54.0 mt-30 -73.96 -32.52 63.51 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.951 178.715 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -73.64 -36.22 65.39 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.783 178.649 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.666 ' O ' HG12 ' A' ' 120' ' ' ILE . 13.5 mt -68.8 -41.6 78.45 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.93 178.68 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -68.2 -37.2 80.67 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.184 179.22 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -68.97 -33.84 74.35 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.082 178.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.554 ' O ' HG22 ' A' ' 123' ' ' VAL . 15.2 mt -70.75 -38.15 73.48 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.517 179.416 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . 0.666 HG12 ' O ' ' A' ' 116' ' ' LEU . 31.1 mm -70.3 -36.29 66.54 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 O-C-N 123.32 0.387 . . . . 0.0 110.223 178.771 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -72.77 -29.34 63.22 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.552 179.177 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -75.94 -38.18 57.89 Favored 'General case' 0 N--CA 1.47 0.568 0 O-C-N 123.269 0.356 . . . . 0.0 111.575 179.433 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.554 HG22 ' O ' ' A' ' 119' ' ' LEU . 4.7 m -74.33 -33.42 33.92 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 O-C-N 123.246 0.341 . . . . 0.0 110.938 178.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 36.5 ttt180 -71.23 -39.86 71.41 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.824 178.668 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -74.21 -30.68 62.31 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 115.875 -0.602 . . . . 0.0 112.021 179.518 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.6 0 N-CA-C 112.179 0.436 . . . . 0.0 112.179 179.98 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 5.6 m . . . . . 0 N--CA 1.473 0.702 0 N-CA-C 112.281 0.474 . . . . 0.0 112.281 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 53.2 m -95.86 -30.9 13.41 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.686 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -91.15 -15.68 28.98 Favored 'General case' 0 N--CA 1.468 0.445 0 N-CA-C 112.248 0.462 . . . . 0.0 112.248 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -91.01 -22.32 20.84 Favored 'General case' 0 N--CA 1.468 0.432 0 O-C-N 123.279 0.362 . . . . 0.0 111.767 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.6 m -77.33 -39.67 28.36 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 N-CA-C 112.42 0.526 . . . . 0.0 112.42 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -66.07 -38.88 94.43 Favored Glycine 0 C--N 1.342 0.888 0 O-C-N 123.411 0.444 . . . . 0.0 113.681 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -73.21 -37.26 66.5 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 122.56 0.344 . . . . 0.0 111.517 179.765 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -71.55 -35.45 70.63 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.129 179.326 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 95.7 m -71.97 -36.4 69.8 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 178.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.542 ' O ' HG22 ' A' ' 23' ' ' VAL . 40.4 mt-10 -70.46 -33.25 71.07 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.76 178.774 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -73.13 -44.01 60.8 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 123.411 0.445 . . . . 0.0 111.792 179.744 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.404 ' O ' ' HB2' ' A' ' 25' ' ' LEU . 1.6 mp -71.71 -27.21 27.41 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.709 0 CA-C-N 116.248 -0.433 . . . . 0.0 109.836 178.191 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -70.48 -43.98 59.8 Favored Glycine 0 C--N 1.347 1.179 0 CA-C-N 115.967 -0.56 . . . . 0.0 112.422 178.75 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.542 HG22 ' O ' ' A' ' 19' ' ' GLU . 4.4 m -71.15 -35.05 56.97 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 CA-C-O 120.838 0.351 . . . . 0.0 110.983 178.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 58.4 mttp -70.71 -33.6 71.03 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.864 178.542 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.427 ' O ' ' HG3' ' A' ' 29' ' ' GLU . 5.3 tp -69.47 -40.65 76.98 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.987 179.189 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 14.0 mt -68.24 -39.33 82.3 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.241 179.102 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 14.9 m-70 -70.63 -32.26 69.52 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.246 178.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.486 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 16.7 mt -74.84 -30.84 61.5 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.193 178.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.427 ' HG3' ' O ' ' A' ' 25' ' ' LEU . 42.7 mt-10 -70.77 -45.33 64.95 Favored 'General case' 0 N--CA 1.471 0.597 0 O-C-N 123.362 0.414 . . . . 0.0 110.786 179.106 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -66.98 -37.84 84.97 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.611 178.657 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 -74.36 -22.81 59.04 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.169 178.549 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.486 ' HB2' ' O ' ' A' ' 28' ' ' LEU . 3.6 tt -72.54 -45.94 56.91 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 122.87 0.468 . . . . 0.0 110.619 179.229 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.458 ' O ' ' HD2' ' A' ' 37' ' ' TYR . 5.1 mp -69.83 -37.67 76.29 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.485 178.582 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -70.35 -28.59 71.1 Favored Glycine 0 C--N 1.345 1.049 0 CA-C-N 115.651 -0.704 . . . . 0.0 112.771 178.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -81.09 -31.24 34.45 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 122.601 0.36 . . . . 0.0 111.753 179.264 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 47.8 mtt -78.15 -30.74 49.38 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 116.139 -0.482 . . . . 0.0 112.253 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.458 ' HD2' ' O ' ' A' ' 33' ' ' LEU . 12.9 m-85 -79.1 -40.78 30.23 Favored 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 112.014 0.376 . . . . 0.0 112.014 179.654 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 82.9 p -86.85 -19.83 28.38 Favored 'General case' 0 N--CA 1.47 0.57 0 O-C-N 123.334 0.396 . . . . 0.0 112.008 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 71.2 m-70 63.39 110.62 0.03 OUTLIER 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 123.958 0.903 . . . . 0.0 111.649 -179.593 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -138.13 169.5 17.68 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.937 -179.727 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -115.84 -40.3 3.36 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.424 179.759 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.83 -30.73 70.99 Favored 'General case' 0 N--CA 1.474 0.76 0 N-CA-C 112.755 0.65 . . . . 0.0 112.755 -179.767 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.451 ' O ' ' HB2' ' A' ' 47' ' ' LEU . 2.0 mt -69.15 -28.28 66.29 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 112.426 0.528 . . . . 0.0 112.426 -179.783 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 53.8 m-85 -74.04 -35.45 64.31 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 122.516 0.326 . . . . 0.0 111.355 179.177 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 55.4 mt-30 -71.94 -41.56 67.65 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.772 179.163 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 51.2 m -69.1 -34.1 74.56 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.818 178.541 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.451 ' HB2' ' O ' ' A' ' 43' ' ' LEU . 2.3 tt -70.74 -34.68 72.13 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.104 179.174 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 53.5 mt-30 -72.18 -38.51 69.07 Favored 'General case' 0 N--CA 1.473 0.712 0 O-C-N 123.568 0.542 . . . . 0.0 111.335 179.293 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -71.61 -36.07 62.41 Favored Glycine 0 C--N 1.344 0.998 0 CA-C-N 116.024 -0.535 . . . . 0.0 112.424 179.169 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.485 ' O ' HG22 ' A' ' 54' ' ' VAL . 43.2 mt-10 -72.66 -35.57 67.75 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 122.907 0.483 . . . . 0.0 110.978 179.15 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.0 tp -71.66 -35.05 70.22 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.992 179.322 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 54.7 mt-30 -74.47 -32.93 62.75 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.973 179.062 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 18.3 p -73.05 -36.47 66.91 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.659 179.151 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.485 HG22 ' O ' ' A' ' 50' ' ' GLU . 11.9 m -74.42 -34.19 35.49 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.846 178.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -69.49 -36.92 76.98 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.794 178.365 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -72.67 -34.37 67.16 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.162 178.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 14.3 p -73.36 -33.7 65.21 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.31 178.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 20.6 mt -72.99 -37.22 67.08 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.886 179.055 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.473 ' O ' HG13 ' A' ' 62' ' ' ILE . 13.7 tt0 -69.44 -38.6 77.9 Favored 'General case' 0 N--CA 1.47 0.566 0 O-C-N 123.536 0.523 . . . . 0.0 110.292 178.539 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.427 ' O ' ' HB2' ' A' ' 64' ' ' GLN . . . -69.95 -30.7 68.15 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.95 178.608 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 37.3 mmm -70.32 -43.44 70.31 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 115.822 -0.627 . . . . 0.0 111.529 178.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.473 HG13 ' O ' ' A' ' 59' ' ' GLN . 1.4 pt -75.56 -25.13 17.45 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 O-C-N 123.47 0.481 . . . . 0.0 112.073 179.507 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 2.6 tt -85.31 -24.94 27.47 Favored 'General case' 0 N--CA 1.469 0.51 0 O-C-N 123.435 0.46 . . . . 0.0 111.388 179.543 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.427 ' HB2' ' O ' ' A' ' 60' ' ' ALA . 5.1 tt0 -91.6 -27.43 18.16 Favored 'General case' 0 N--CA 1.468 0.448 0 O-C-N 123.176 0.298 . . . . 0.0 111.776 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 22.6 mt . . . . . 0 N--CA 1.469 0.507 0 N-CA-C 111.95 0.352 . . . . 0.0 111.95 -179.749 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 . . . . . 0 N--CA 1.469 0.524 0 N-CA-C 111.882 0.327 . . . . 0.0 111.882 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -77.0 -31.1 56.21 Favored 'General case' 0 N--CA 1.471 0.585 0 N-CA-C 112.32 0.489 . . . . 0.0 112.32 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 13.6 mt -86.33 -26.77 24.69 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.955 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -73.43 -38.32 65.58 Favored 'General case' 0 N--CA 1.472 0.649 0 O-C-N 123.381 0.426 . . . . 0.0 111.915 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -64.67 -40.2 95.01 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.692 179.528 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -78.23 -31.45 49.3 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.474 179.791 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -71.75 -41.02 68.94 Favored 'General case' 0 N--CA 1.47 0.551 0 O-C-N 123.276 0.36 . . . . 0.0 111.383 179.336 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -75.97 -35.33 59.69 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.847 179.582 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 16.5 t -70.2 -41.98 72.95 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 123.299 0.374 . . . . 0.0 111.126 179.457 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 3.7 mp -72.71 -34.92 67.45 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.33 179.464 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -69.3 -34.99 75.54 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.104 178.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -74.79 -31.74 61.82 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.81 178.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -73.29 -32.66 64.77 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.522 178.799 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 23.8 mt -78.82 -33.12 16.16 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 178.735 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 -70.38 -35.84 73.75 Favored 'General case' 0 N--CA 1.473 0.684 0 O-C-N 123.367 0.417 . . . . 0.0 110.614 178.548 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 12.4 t80 -75.43 -36.03 60.84 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.83 178.265 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.656 ' O ' HG12 ' A' ' 120' ' ' ILE . 13.1 tp -69.46 -42.23 75.19 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.57 178.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -69.32 -34.9 75.35 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.954 179.155 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -68.64 -34.37 75.61 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.68 178.604 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.607 ' O ' HG23 ' A' ' 123' ' ' VAL . 16.9 mt -69.65 -40.56 76.39 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.336 179.054 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . 0.656 HG12 ' O ' ' A' ' 116' ' ' LEU . 22.7 mm -67.4 -35.87 74.82 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 O-C-N 123.346 0.404 . . . . 0.0 110.317 178.846 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -72.56 -30.2 64.22 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.427 179.211 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -76.06 -33.85 59.59 Favored 'General case' 0 N--CA 1.471 0.596 0 O-C-N 123.445 0.465 . . . . 0.0 111.832 179.504 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.607 HG23 ' O ' ' A' ' 119' ' ' LEU . 38.2 t -77.58 -33.9 19.79 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 178.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 74.7 mtp180 -71.09 -38.27 72.41 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.275 178.723 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -74.23 -38.82 63.42 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.883 179.444 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.497 0 CA-C-N 116.127 -0.488 . . . . 0.0 112.136 -179.914 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 3.1 m . . . . . 0 N--CA 1.472 0.63 0 CA-C-O 120.64 0.257 . . . . 0.0 111.153 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 71.4 m -85.76 -18.99 31.44 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.91 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -95.78 -16.83 21.64 Favored 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 112.149 0.425 . . . . 0.0 112.149 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -92.49 -22.34 19.63 Favored 'General case' 0 N--CA 1.469 0.516 0 O-C-N 123.266 0.354 . . . . 0.0 111.832 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.5 m -75.61 -39.46 39.82 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 N-CA-C 112.646 0.61 . . . . 0.0 112.646 -179.552 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -65.29 -40.35 96.54 Favored Glycine 0 C--N 1.342 0.887 0 CA-C-N 116.312 -0.404 . . . . 0.0 113.768 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -75.87 -35.53 59.85 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 122.425 0.29 . . . . 0.0 111.692 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -73.88 -34.54 64.49 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.194 179.35 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.425 ' HB3' ' NH2' ' A' ' 124' ' ' ARG . 78.8 m -74.38 -36.09 63.53 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.651 178.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.567 ' O ' HG22 ' A' ' 23' ' ' VAL . 9.2 tt0 -70.13 -35.5 74.12 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.163 178.861 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -73.03 -39.79 65.66 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.736 179.51 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.496 ' O ' ' HB2' ' A' ' 25' ' ' LEU . 1.2 mp -72.26 -27.43 26.59 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.66 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.062 178.36 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -71.99 -45.21 43.0 Favored Glycine 0 C--N 1.346 1.134 0 O-C-N 123.49 0.493 . . . . 0.0 112.584 178.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.567 HG22 ' O ' ' A' ' 19' ' ' GLU . 3.3 m -71.06 -35.28 58.35 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 CA-C-O 120.715 0.293 . . . . 0.0 111.305 179.355 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -71.49 -33.61 69.42 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.963 178.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.496 ' HB2' ' O ' ' A' ' 21' ' ' ILE . 2.6 tt -69.61 -39.99 76.89 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 179.23 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 13.7 mt -67.85 -39.82 83.77 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.087 178.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 14.5 m-70 -69.85 -33.1 71.83 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.4 178.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.457 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 23.9 mt -74.88 -29.53 61.04 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.239 178.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.428 ' HG3' ' O ' ' A' ' 25' ' ' LEU . 45.0 mt-10 -72.0 -42.29 66.61 Favored 'General case' 0 N--CA 1.473 0.682 0 O-C-N 123.414 0.446 . . . . 0.0 110.884 178.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -69.79 -37.12 76.2 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.91 178.724 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 53.9 mt-30 -74.31 -26.16 60.0 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.322 178.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.457 ' HB2' ' O ' ' A' ' 28' ' ' LEU . 4.5 tt -73.64 -42.99 60.69 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.63 179.328 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.457 ' O ' ' HD2' ' A' ' 37' ' ' TYR . 8.7 mt -70.07 -37.66 75.54 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.766 178.853 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -71.97 -30.05 66.15 Favored Glycine 0 C--N 1.343 0.949 0 CA-C-N 115.716 -0.674 . . . . 0.0 112.587 178.807 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -81.08 -26.56 36.17 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 122.661 0.384 . . . . 0.0 111.708 179.107 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 37.3 mtt -79.84 -37.13 35.66 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 112.141 0.423 . . . . 0.0 112.141 179.652 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.457 ' HD2' ' O ' ' A' ' 33' ' ' LEU . 35.2 m-85 -81.18 -39.22 25.82 Favored 'General case' 0 N--CA 1.471 0.598 0 O-C-N 123.272 0.357 . . . . 0.0 111.901 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 14.2 t -86.58 -23.08 25.91 Favored 'General case' 0 N--CA 1.47 0.536 0 O-C-N 123.442 0.463 . . . . 0.0 111.817 179.769 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 71.3 m-70 62.25 108.88 0.02 OUTLIER 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 123.96 0.904 . . . . 0.0 111.856 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -142.76 157.8 44.28 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.9 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -98.52 -39.42 8.74 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.591 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.69 -39.32 88.05 Favored 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 112.522 0.564 . . . . 0.0 112.522 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 6.5 mp -70.16 -28.74 65.57 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-N 116.013 -0.54 . . . . 0.0 112.083 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -70.79 -37.92 73.34 Favored 'General case' 0 N--CA 1.471 0.596 0 O-C-N 123.302 0.376 . . . . 0.0 110.802 179.326 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 -72.01 -36.58 69.77 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.536 178.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 53.3 m -69.22 -37.26 77.96 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.361 178.589 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 20.2 mt -70.87 -36.36 72.76 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.871 179.411 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 11.9 tt0 -71.94 -39.37 69.46 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.47 179.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -71.78 -39.04 60.46 Favored Glycine 0 C--N 1.343 0.937 0 CA-C-N 116.073 -0.512 . . . . 0.0 112.9 179.571 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.502 ' O ' HG22 ' A' ' 54' ' ' VAL . 43.8 mt-10 -71.94 -35.67 69.67 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 122.767 0.427 . . . . 0.0 111.343 179.579 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.7 tt -72.35 -35.2 68.47 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.89 179.339 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 4.3 tp60 -74.85 -30.95 61.51 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.035 179.181 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 16.6 p -74.84 -36.64 62.38 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.578 179.082 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.502 HG22 ' O ' ' A' ' 50' ' ' GLU . 12.0 m -74.54 -33.96 34.01 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 O-C-N 123.315 0.385 . . . . 0.0 110.821 178.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 33.6 tttm -71.3 -37.25 71.83 Favored 'General case' 0 C--N 1.347 0.491 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.699 178.714 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -72.87 -33.56 66.17 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.082 178.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 12.0 p -73.76 -33.44 64.29 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.276 178.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 6.8 tp -72.86 -38.38 67.07 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.534 179.181 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.501 ' O ' HG13 ' A' ' 62' ' ' ILE . 54.8 mt-30 -69.38 -37.67 77.67 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.602 178.565 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.456 ' O ' ' HB2' ' A' ' 64' ' ' GLN . . . -70.09 -31.49 69.09 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.028 178.612 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 65.8 mmm -70.52 -42.43 71.26 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.506 179.013 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.501 HG13 ' O ' ' A' ' 59' ' ' GLN . 1.2 pt -75.48 -25.05 17.52 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 O-C-N 123.461 0.476 . . . . 0.0 111.751 179.082 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.6 tp -85.13 -23.37 28.47 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.162 179.149 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.456 ' HB2' ' O ' ' A' ' 60' ' ' ALA . 6.2 tt0 -87.66 -33.11 18.9 Favored 'General case' 0 N--CA 1.469 0.512 0 O-C-N 123.41 0.444 . . . . 0.0 111.273 179.581 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 11.4 mt . . . . . 0 N--CA 1.47 0.531 0 O-C-N 123.425 0.453 . . . . 0.0 111.363 179.809 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 . . . . . 0 N--CA 1.466 0.356 0 CA-C-O 120.341 0.115 . . . . 0.0 110.954 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -76.81 -29.8 56.13 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 122.846 0.458 . . . . 0.0 112.016 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 25.3 mt -83.72 -26.77 29.48 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.83 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -74.88 -38.39 61.91 Favored 'General case' 0 N--CA 1.473 0.691 0 O-C-N 123.294 0.371 . . . . 0.0 111.758 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -64.56 -40.69 96.02 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 122.889 0.476 . . . . 0.0 111.758 179.61 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -77.03 -35.55 56.84 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.543 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -71.55 -38.93 70.95 Favored 'General case' 0 N--CA 1.47 0.555 0 O-C-N 123.473 0.483 . . . . 0.0 111.575 179.285 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -75.84 -32.84 59.97 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.749 179.414 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 44.7 p -71.28 -41.88 69.43 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.328 179.318 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 19.2 mt -73.25 -34.91 66.1 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.265 179.459 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -70.3 -34.78 73.14 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.244 179.107 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -75.53 -31.33 60.05 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.916 178.774 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -73.56 -33.48 64.7 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.491 178.773 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 27.7 mt -78.89 -33.13 15.99 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 O-C-N 123.289 0.368 . . . . 0.0 110.061 178.803 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 50.5 mt-30 -69.97 -36.05 74.91 Favored 'General case' 0 N--CA 1.471 0.596 0 O-C-N 123.369 0.418 . . . . 0.0 110.481 178.195 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -75.0 -35.86 61.98 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.992 178.592 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 11.6 tp -69.09 -35.89 76.98 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 115.43 -0.804 . . . . 0.0 110.654 178.754 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 92.3 mttt -72.5 -38.28 68.17 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.981 179.061 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -69.1 -31.77 70.73 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.217 178.277 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.589 ' O ' HG22 ' A' ' 123' ' ' VAL . 17.0 mt -71.11 -43.79 66.95 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.432 179.478 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 1.8 pp -69.54 -33.49 57.22 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.825 0 O-C-N 123.283 0.364 . . . . 0.0 111.164 179.15 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -72.98 -31.59 64.63 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.633 179.02 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -74.62 -37.13 62.9 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.699 179.592 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.589 HG22 ' O ' ' A' ' 119' ' ' LEU . 2.8 m -74.55 -34.05 34.2 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 O-C-N 123.346 0.404 . . . . 0.0 111.146 178.572 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . 0.425 ' NH2' ' HB3' ' A' ' 18' ' ' CYS . 97.9 mtt180 -71.1 -38.22 72.38 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.358 178.622 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -74.29 -36.4 63.76 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.936 179.767 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.494 0 N-CA-C 112.284 0.475 . . . . 0.0 112.284 -179.914 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 4.8 m . . . . . 0 N--CA 1.474 0.731 0 N-CA-C 112.079 0.399 . . . . 0.0 112.079 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 53.1 m -92.88 -15.77 26.02 Favored 'General case' 0 N--CA 1.467 0.397 0 O-C-N 123.435 0.459 . . . . 0.0 112.022 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -96.69 -25.86 15.39 Favored 'General case' 0 N--CA 1.467 0.392 0 N-CA-C 112.214 0.45 . . . . 0.0 112.214 -179.63 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -87.24 -22.21 25.36 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 112.22 0.452 . . . . 0.0 112.22 -179.659 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.1 m -72.54 -39.5 61.78 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 N-CA-C 112.546 0.573 . . . . 0.0 112.546 -179.692 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -64.08 -40.37 98.06 Favored Glycine 0 C--N 1.342 0.869 0 O-C-N 123.543 0.527 . . . . 0.0 113.728 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -75.38 -34.68 61.12 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 122.459 0.304 . . . . 0.0 111.403 179.808 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -74.24 -33.91 63.48 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.977 179.018 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.519 ' SG ' ' HD2' ' A' ' 124' ' ' ARG . 42.6 t -72.66 -38.51 67.61 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.839 178.822 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.571 ' O ' HG22 ' A' ' 23' ' ' VAL . 41.9 mt-10 -70.17 -37.2 75.11 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.645 179.25 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.415 ' O ' ' HB2' ' A' ' 24' ' ' LYS . . . -73.43 -36.61 65.96 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.642 179.601 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.416 HG22 ' O ' ' A' ' 18' ' ' CYS . 1.4 tp -73.69 -27.51 23.13 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.797 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.283 178.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -73.4 -45.09 31.36 Favored Glycine 0 C--N 1.347 1.145 0 CA-C-N 115.724 -0.671 . . . . 0.0 112.399 178.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.571 HG22 ' O ' ' A' ' 19' ' ' GLU . 3.2 m -71.3 -32.18 46.2 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.925 0 CA-C-O 120.744 0.307 . . . . 0.0 111.051 178.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.415 ' HB2' ' O ' ' A' ' 20' ' ' ALA . 47.4 tttt -73.11 -33.69 65.71 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.665 178.735 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.423 ' O ' ' HG3' ' A' ' 29' ' ' GLU . 6.7 tp -70.13 -40.56 74.77 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.029 178.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.8 mt -69.01 -39.66 79.17 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.269 179.303 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 10.6 t-80 -70.21 -31.78 69.37 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.745 178.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.463 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 2.7 tt -74.9 -30.64 61.35 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.94 179.118 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.423 ' HG3' ' O ' ' A' ' 25' ' ' LEU . 42.5 mt-10 -72.38 -41.67 66.08 Favored 'General case' 0 N--CA 1.473 0.678 0 O-C-N 123.516 0.51 . . . . 0.0 111.0 179.133 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -69.9 -37.24 75.92 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.937 178.67 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 12.9 tt0 -74.05 -27.19 60.8 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.965 179.136 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.463 ' HB2' ' O ' ' A' ' 28' ' ' LEU . 3.4 tt -74.7 -39.25 62.07 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.703 179.271 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.448 ' O ' ' HD1' ' A' ' 37' ' ' TYR . 4.7 tp -70.2 -39.94 74.88 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.607 179.139 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -72.09 -31.7 63.88 Favored Glycine 0 C--N 1.343 0.958 0 CA-C-N 115.669 -0.696 . . . . 0.0 113.007 179.078 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -81.24 -26.02 36.17 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 112.238 0.458 . . . . 0.0 112.238 179.635 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 16.8 mmt -82.92 -36.32 25.36 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 112.074 0.398 . . . . 0.0 112.074 -179.796 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.448 ' HD1' ' O ' ' A' ' 33' ' ' LEU . 29.7 m-85 -81.17 -35.39 31.5 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 112.087 0.403 . . . . 0.0 112.087 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 53.9 m -86.59 -27.23 24.01 Favored 'General case' 0 N--CA 1.469 0.48 0 O-C-N 123.373 0.42 . . . . 0.0 111.854 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 67.0 m80 61.53 110.14 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 123.854 0.862 . . . . 0.0 111.917 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -143.41 162.36 35.97 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.808 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -96.67 -41.24 8.6 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.677 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.81 -37.8 85.23 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 112.725 0.639 . . . . 0.0 112.725 -179.739 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.463 ' O ' ' HB2' ' A' ' 47' ' ' LEU . 6.4 mp -72.04 -28.54 63.42 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 112.363 0.505 . . . . 0.0 112.363 -179.639 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -73.46 -36.62 65.89 Favored 'General case' 0 N--CA 1.473 0.688 0 O-C-N 123.217 0.323 . . . . 0.0 111.411 179.426 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 54.4 mt-30 -72.64 -40.85 66.08 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.459 179.057 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 16.2 t -69.03 -35.79 77.02 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.802 178.612 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.463 ' HB2' ' O ' ' A' ' 43' ' ' LEU . 2.9 tt -70.76 -33.89 71.27 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.259 179.204 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.3 tp-100 -69.92 -43.58 71.38 Favored 'General case' 0 N--CA 1.472 0.66 0 O-C-N 123.443 0.465 . . . . 0.0 111.024 179.554 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -70.73 -37.77 66.83 Favored Glycine 0 C--N 1.343 0.942 0 CA-C-N 116.032 -0.531 . . . . 0.0 112.511 179.046 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.632 ' O ' HG23 ' A' ' 54' ' ' VAL . 39.5 mt-10 -71.13 -35.84 71.88 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 122.679 0.392 . . . . 0.0 111.203 179.321 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.418 ' HB2' ' O ' ' A' ' 47' ' ' LEU . 4.8 tp -70.81 -35.12 72.37 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.813 179.26 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 11.8 mm100 -72.5 -33.13 66.72 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.294 179.022 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 19.8 p -74.66 -35.5 62.83 Favored 'General case' 0 N--CA 1.473 0.688 0 O-C-N 123.389 0.43 . . . . 0.0 111.535 179.121 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.632 HG23 ' O ' ' A' ' 50' ' ' GLU . 71.7 t -74.11 -34.19 37.61 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.306 179.039 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 55.9 tttt -72.97 -37.22 67.14 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.929 179.287 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -73.05 -33.17 65.53 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.345 179.09 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.499 ' O ' ' HB2' ' A' ' 61' ' ' MET . 16.9 p -75.74 -33.22 60.24 Favored 'General case' 0 N--CA 1.472 0.647 0 O-C-N 123.501 0.501 . . . . 0.0 111.309 179.089 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -73.78 -37.01 65.11 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.522 179.03 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.457 ' O ' HG13 ' A' ' 62' ' ' ILE . 54.7 mt-30 -69.88 -41.35 74.88 Favored 'General case' 0 N--CA 1.471 0.583 0 O-C-N 123.557 0.536 . . . . 0.0 111.003 178.824 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -70.24 -30.32 67.35 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.295 178.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . 0.573 ' O ' ' HB2' ' A' ' 65' ' ' LEU . 1.0 OUTLIER -73.6 -40.88 63.52 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.317 179.421 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.457 HG13 ' O ' ' A' ' 59' ' ' GLN . 2.2 pp -75.28 -27.1 19.19 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.564 179.781 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 2.9 tt -81.7 -29.78 32.85 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.706 178.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -90.94 -15.16 30.23 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.239 179.236 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.573 ' HB2' ' O ' ' A' ' 61' ' ' MET . 1.8 tt . . . . . 0 N--CA 1.473 0.68 0 C-N-CA 122.74 0.416 . . . . 0.0 111.672 179.651 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 . . . . . 0 N--CA 1.47 0.548 0 N-CA-C 112.269 0.47 . . . . 0.0 112.269 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -67.98 -39.45 83.3 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 112.753 0.649 . . . . 0.0 112.753 -179.434 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.437 ' H ' HD23 ' A' ' 102' ' ' LEU . 0.3 OUTLIER -86.59 -27.58 23.81 Favored 'General case' 0 N--CA 1.471 0.618 0 O-C-N 123.361 0.413 . . . . 0.0 112.091 179.898 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -74.52 -41.0 61.4 Favored 'General case' 0 N--CA 1.471 0.617 0 O-C-N 123.247 0.342 . . . . 0.0 111.884 -179.799 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -64.67 -37.55 87.98 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.642 179.49 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 66.2 mttm -76.23 -36.74 58.4 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.596 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -71.43 -37.43 71.45 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.596 179.375 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -75.81 -33.67 60.13 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.627 179.277 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 57.7 m -71.63 -38.4 70.76 Favored 'General case' 0 N--CA 1.471 0.586 0 O-C-N 123.262 0.351 . . . . 0.0 111.366 179.248 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 21.9 mt -73.2 -37.91 66.3 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.226 179.22 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -69.64 -33.88 73.24 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.346 179.307 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . 0.479 ' O ' ' HD1' ' A' ' 115' ' ' TYR . 92.8 mttt -75.27 -32.93 61.19 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.006 178.831 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.523 ' O ' ' HB2' ' A' ' 116' ' ' LEU . 41.9 mt-10 -73.35 -32.13 64.36 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.466 178.873 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 28.4 mt -78.42 -32.97 16.9 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 O-C-N 123.366 0.417 . . . . 0.0 109.911 178.483 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -67.39 -41.02 85.66 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.277 178.449 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . 0.479 ' HD1' ' O ' ' A' ' 111' ' ' LYS . 13.5 m-85 -72.24 -35.41 68.8 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.189 178.115 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.523 ' HB2' ' O ' ' A' ' 112' ' ' GLU . 2.7 tp -66.34 -37.51 85.5 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 115.186 -0.915 . . . . 0.0 111.04 178.841 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . 0.528 ' O ' HG13 ' A' ' 120' ' ' ILE . 93.8 mttt -72.24 -38.84 68.83 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.027 179.427 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -68.88 -31.16 69.9 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.314 178.487 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.591 ' O ' HG22 ' A' ' 123' ' ' VAL . 13.1 mt -71.71 -43.76 65.34 Favored 'General case' 0 C--O 1.238 0.485 0 O-C-N 123.342 0.401 . . . . 0.0 111.42 179.545 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . 0.528 HG13 ' O ' ' A' ' 117' ' ' LYS . 1.1 pt -70.07 -32.95 53.03 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.359 178.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -72.86 -31.38 64.69 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.566 178.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -73.7 -39.3 64.45 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.635 179.421 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.591 HG22 ' O ' ' A' ' 119' ' ' LEU . 2.3 m -73.63 -33.05 37.66 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 O-C-N 123.299 0.374 . . . . 0.0 111.233 178.626 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . 0.519 ' HD2' ' SG ' ' A' ' 18' ' ' CYS . 71.4 mtp180 -70.65 -37.85 73.78 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.195 178.461 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -74.22 -34.21 63.61 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.619 179.256 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.465 0 CA-C-N 116.074 -0.512 . . . . 0.0 112.266 -179.977 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 3.2 m . . . . . 0 N--CA 1.47 0.563 0 CA-C-O 120.557 0.217 . . . . 0.0 111.405 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 67.5 m -82.62 -15.52 51.83 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 115.892 -0.595 . . . . 0.0 112.028 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -96.69 -16.13 21.09 Favored 'General case' 0 N--CA 1.466 0.355 0 O-C-N 123.351 0.407 . . . . 0.0 111.988 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -90.37 -22.27 21.57 Favored 'General case' 0 N--CA 1.471 0.598 0 O-C-N 123.334 0.397 . . . . 0.0 111.766 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.3 m -77.16 -37.65 26.3 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 N-CA-C 112.332 0.493 . . . . 0.0 112.332 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -58.92 -35.23 82.13 Favored Glycine 0 C--N 1.342 0.893 0 O-C-N 123.489 0.493 . . . . 0.0 113.694 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -76.87 -32.02 57.2 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 122.504 0.322 . . . . 0.0 111.218 179.46 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 58.7 mttp -75.61 -34.15 60.57 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.776 179.12 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.401 ' HA ' HG22 ' A' ' 21' ' ' ILE . 79.0 m -73.22 -39.81 65.21 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 115.833 -0.622 . . . . 0.0 110.754 178.819 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.568 ' O ' HG22 ' A' ' 23' ' ' VAL . 42.0 mt-10 -70.34 -35.02 73.34 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.379 179.091 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.93 -38.51 66.79 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.698 179.612 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.484 ' O ' ' HB2' ' A' ' 25' ' ' LEU . 3.7 tp -73.41 -27.5 23.78 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.804 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.339 178.828 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.21 -43.93 45.59 Favored Glycine 0 C--N 1.348 1.204 0 CA-C-N 115.855 -0.611 . . . . 0.0 112.321 178.54 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.568 HG22 ' O ' ' A' ' 19' ' ' GLU . 3.1 m -70.55 -36.08 64.32 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.866 0 CA-C-O 120.72 0.295 . . . . 0.0 111.077 178.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -70.15 -33.46 71.81 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.828 178.667 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.484 ' HB2' ' O ' ' A' ' 21' ' ' ILE . 2.9 tt -69.59 -39.69 77.15 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.853 179.22 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 14.2 mt -69.14 -37.94 78.55 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.391 179.123 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 22.3 m80 -71.75 -32.75 68.03 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.248 178.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.484 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 20.3 mt -74.97 -30.94 61.33 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.21 178.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -72.56 -40.78 66.4 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.873 179.154 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -69.74 -38.13 76.74 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.591 178.794 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -74.47 -25.43 59.39 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.401 178.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.484 ' HB2' ' O ' ' A' ' 28' ' ' LEU . 4.6 tt -73.24 -44.32 59.69 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.771 179.388 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 6.7 mt -71.71 -35.35 70.19 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.71 178.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -72.23 -29.98 65.69 Favored Glycine 0 C--N 1.345 1.035 0 CA-C-N 115.623 -0.717 . . . . 0.0 112.819 178.574 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -81.05 -31.18 34.61 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 122.585 0.354 . . . . 0.0 111.787 179.47 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 51.3 mtt -79.47 -32.52 42.62 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.913 179.695 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 9.0 t80 -81.21 -39.78 24.88 Favored 'General case' 0 N--CA 1.468 0.469 0 O-C-N 123.406 0.442 . . . . 0.0 111.445 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 14.7 t -86.62 -26.62 24.31 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.748 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 74.9 m-70 62.98 107.93 0.03 OUTLIER 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 123.846 0.858 . . . . 0.0 111.775 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -143.54 164.83 29.28 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.736 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -102.66 -41.91 6.08 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.624 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.99 -37.72 84.73 Favored 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 112.814 0.672 . . . . 0.0 112.814 -179.726 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.503 ' O ' ' HB2' ' A' ' 47' ' ' LEU . 6.3 mp -70.52 -28.79 65.21 Favored 'General case' 0 N--CA 1.472 0.657 0 N-CA-C 112.443 0.534 . . . . 0.0 112.443 -179.509 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -75.71 -34.5 60.38 Favored 'General case' 0 N--CA 1.472 0.636 0 O-C-N 123.266 0.353 . . . . 0.0 111.491 179.494 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -72.2 -42.43 65.82 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.647 179.209 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 51.5 m -69.15 -35.04 75.92 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.131 178.662 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.503 ' HB2' ' O ' ' A' ' 43' ' ' LEU . 4.7 tp -70.84 -33.95 71.18 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.604 179.208 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -73.18 -39.45 65.59 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.576 179.465 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -71.53 -37.77 62.09 Favored Glycine 0 C--N 1.342 0.892 0 O-C-N 123.506 0.504 . . . . 0.0 112.594 179.16 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.505 ' O ' HG22 ' A' ' 54' ' ' VAL . 43.2 mt-10 -72.36 -35.51 68.52 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 122.818 0.447 . . . . 0.0 111.151 179.316 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.423 ' HB2' ' O ' ' A' ' 47' ' ' LEU . 2.6 tt -71.67 -35.0 70.19 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.153 179.298 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -74.24 -33.37 63.3 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.085 179.12 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 19.8 p -73.03 -36.85 67.03 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.667 179.23 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.505 HG22 ' O ' ' A' ' 50' ' ' GLU . 15.0 m -74.96 -33.89 30.98 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.76 178.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 55.7 tttt -70.02 -35.98 74.74 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.751 178.699 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -72.77 -37.27 67.69 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.886 178.658 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 13.1 p -70.82 -34.58 71.85 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.117 178.784 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.581 ' O ' HG12 ' A' ' 62' ' ' ILE . 0.8 OUTLIER -71.02 -40.36 71.82 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.759 179.35 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 54.8 mt-30 -67.23 -35.68 80.07 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.481 178.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.497 ' O ' ' HB2' ' A' ' 64' ' ' GLN . . . -70.05 -31.17 68.67 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.87 178.224 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . 0.528 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 13.9 ttt -68.87 -44.71 72.73 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.209 179.115 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.581 HG12 ' O ' ' A' ' 58' ' ' LEU . 1.9 mm -75.28 -25.11 17.83 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.939 0 O-C-N 123.284 0.365 . . . . 0.0 110.69 179.413 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.7 tp -83.74 -21.18 32.33 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.09 179.436 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.497 ' HB2' ' O ' ' A' ' 60' ' ' ALA . 11.5 tt0 -87.41 -36.98 17.44 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.183 179.547 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.528 ' HG ' ' O ' ' A' ' 61' ' ' MET . 0.8 OUTLIER . . . . . 0 C--O 1.238 0.485 0 CA-C-O 121.589 0.709 . . . . 0.0 110.641 179.674 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 . . . . . 0 N--CA 1.47 0.537 0 CA-C-O 120.451 0.167 . . . . 0.0 111.115 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -76.65 -29.73 56.54 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.744 179.525 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 15.2 mt -84.23 -26.62 28.55 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.724 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -71.96 -39.37 69.41 Favored 'General case' 0 N--CA 1.473 0.714 0 O-C-N 123.278 0.361 . . . . 0.0 111.852 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -64.69 -39.71 94.13 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 122.848 0.459 . . . . 0.0 111.691 179.657 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.441 ' HA ' ' HG ' ' A' ' 108' ' ' SER . 96.8 mttt -76.72 -33.19 58.18 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.675 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -71.47 -40.27 70.38 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 123.432 0.457 . . . . 0.0 111.583 179.483 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -75.97 -33.72 59.78 Favored 'General case' 0 N--CA 1.469 0.476 0 O-C-N 123.651 0.594 . . . . 0.0 111.672 179.394 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . 0.441 ' HG ' ' HA ' ' A' ' 105' ' ' LYS . 50.5 p -71.02 -41.54 70.72 Favored 'General case' 0 N--CA 1.47 0.535 0 O-C-N 123.28 0.363 . . . . 0.0 111.291 179.404 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 22.7 mt -73.55 -35.11 65.45 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.28 179.446 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -69.31 -35.94 76.48 Favored 'General case' 0 N--CA 1.471 0.593 0 O-C-N 123.393 0.433 . . . . 0.0 111.257 179.196 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -74.98 -32.19 61.63 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.868 178.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.484 ' O ' ' HB2' ' A' ' 116' ' ' LEU . 40.3 mt-10 -73.58 -31.31 63.54 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.686 178.876 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 28.5 mt -80.06 -33.31 14.37 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 O-C-N 123.288 0.368 . . . . 0.0 110.068 178.782 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -69.71 -36.08 75.59 Favored 'General case' 0 N--CA 1.473 0.68 0 O-C-N 123.263 0.352 . . . . 0.0 110.241 178.158 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 12.6 t80 -75.26 -35.75 61.32 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-N 115.472 -0.785 . . . . 0.0 109.877 178.134 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.484 ' HB2' ' O ' ' A' ' 112' ' ' GLU . 5.1 tp -68.51 -38.93 81.36 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.946 178.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . 0.46 ' O ' HG13 ' A' ' 120' ' ' ILE . 94.7 mttt -71.9 -37.03 70.18 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.883 179.11 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . 0.513 ' O ' ' HB2' ' A' ' 122' ' ' GLU . 3.3 t70 -69.47 -31.14 69.23 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.982 178.331 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.603 ' O ' HG22 ' A' ' 123' ' ' VAL . 15.7 mt -71.34 -43.44 67.0 Favored 'General case' 0 C--N 1.347 0.489 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.36 179.439 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . 0.46 HG13 ' O ' ' A' ' 117' ' ' LYS . 1.4 pp -70.1 -36.24 67.3 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 O-C-N 123.371 0.42 . . . . 0.0 111.326 178.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -73.1 -27.08 61.5 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.035 178.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . 0.513 ' HB2' ' O ' ' A' ' 118' ' ' ASP . 10.7 tt0 -75.87 -39.3 56.77 Favored 'General case' 0 C--N 1.346 0.431 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.378 179.537 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.603 HG22 ' O ' ' A' ' 119' ' ' LEU . 1.1 m -73.33 -33.3 40.41 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 O-C-N 123.309 0.381 . . . . 0.0 110.984 178.519 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 78.9 mtp180 -70.39 -40.09 74.15 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.872 178.475 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -74.52 -33.35 62.75 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.692 178.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.523 0 CA-C-N 116.02 -0.536 . . . . 0.0 112.248 -179.956 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.217 0 CA-C-O 119.141 -0.81 . . . . 0.0 112.704 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 6.5 Cg_exo -75.31 138.18 21.97 Favored 'Trans proline' 0 C--N 1.373 1.859 0 C-N-CA 122.854 2.369 . . . . 0.0 112.752 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 12.6 t-105 -99.73 -37.76 8.97 Favored 'General case' 0 CA--C 1.534 0.341 0 O-C-N 123.714 0.634 . . . . 0.0 111.018 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -94.85 153.44 17.71 Favored 'General case' 0 N--CA 1.467 0.397 0 O-C-N 123.546 0.528 . . . . 0.0 111.054 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -93.03 -36.14 12.88 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.615 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -94.89 114.25 26.08 Favored 'General case' 0 C--O 1.237 0.426 0 O-C-N 123.382 0.426 . . . . 0.0 111.048 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 53.3 m -138.61 -43.59 0.49 Allowed 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.022 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 68.2 m-70 -109.09 -33.01 7.01 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.491 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.1 pp -89.18 83.83 2.25 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.548 0 CA-C-O 121.262 0.553 . . . . 0.0 111.31 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 3.3 m -145.9 -34.8 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 CA-C-N 115.153 -0.931 . . . . 0.0 111.237 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 71.0 m -83.22 -23.44 32.79 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.79 179.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -95.81 -13.96 23.64 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.634 179.6 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -91.41 -22.18 20.59 Favored 'General case' 0 N--CA 1.47 0.549 0 O-C-N 123.478 0.486 . . . . 0.0 111.664 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 1.8 m -71.83 -37.41 61.75 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 N-CA-C 112.54 0.57 . . . . 0.0 112.54 -179.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -59.75 -43.27 98.0 Favored Glycine 0 C--N 1.343 0.965 0 O-C-N 123.427 0.454 . . . . 0.0 113.447 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -71.87 -35.53 69.83 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 122.606 0.362 . . . . 0.0 111.095 179.309 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.66 ' O ' HG12 ' A' ' 21' ' ' ILE . 66.1 mttm -70.26 -36.96 74.79 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.928 179.157 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 90.8 m -69.64 -36.67 76.32 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.743 178.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -69.36 -32.37 71.4 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.644 178.503 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -71.7 -38.16 70.58 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.315 178.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.66 HG12 ' O ' ' A' ' 17' ' ' LYS . 34.4 mm -73.12 -27.6 24.65 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 CA-C-N 116.143 -0.48 . . . . 0.0 109.904 178.59 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.04 -42.25 52.22 Favored Glycine 0 C--N 1.347 1.173 0 O-C-N 123.594 0.559 . . . . 0.0 112.298 178.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 7.8 p -71.14 -34.91 56.47 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.873 0 C-N-CA 122.4 0.28 . . . . 0.0 110.391 178.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.41 ' O ' ' HB2' ' A' ' 28' ' ' LEU . 96.9 mttt -72.33 -33.43 67.33 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.918 178.656 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.467 ' HB2' ' O ' ' A' ' 21' ' ' ILE . 2.5 tt -69.68 -39.19 77.12 Favored 'General case' 0 C--N 1.348 0.51 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.053 179.078 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 13.3 mt -69.66 -40.72 76.28 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.122 179.074 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 22.1 m80 -70.63 -31.44 68.39 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.997 178.69 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.479 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 5.2 tp -74.33 -31.42 62.44 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.935 179.092 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.422 ' HG3' ' O ' ' A' ' 25' ' ' LEU . 44.1 mt-10 -72.77 -40.07 66.27 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.893 179.01 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -69.52 -38.21 77.45 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.513 178.659 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -74.34 -25.63 59.65 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.103 178.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.479 ' HB2' ' O ' ' A' ' 28' ' ' LEU . 3.5 tt -73.53 -40.83 63.71 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.636 179.16 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.411 ' O ' ' HD1' ' A' ' 37' ' ' TYR . 4.7 tp -70.96 -39.14 72.73 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.55 178.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -72.09 -29.43 66.74 Favored Glycine 0 C--N 1.342 0.888 0 CA-C-N 115.697 -0.683 . . . . 0.0 113.078 179.04 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -81.31 -30.79 33.8 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 112.112 0.412 . . . . 0.0 112.112 179.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 43.2 mtt -80.91 -34.06 33.71 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 112.258 0.466 . . . . 0.0 112.258 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.411 ' HD1' ' O ' ' A' ' 33' ' ' LEU . 23.1 m-85 -81.16 -39.27 25.79 Favored 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 111.933 0.345 . . . . 0.0 111.933 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 54.4 m -86.74 -22.95 25.67 Favored 'General case' 0 N--CA 1.47 0.53 0 O-C-N 123.4 0.438 . . . . 0.0 111.947 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 3.9 t60 61.78 110.46 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 123.968 0.907 . . . . 0.0 111.512 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.417 ' CB ' HD12 ' A' ' 43' ' ' LEU . 7.0 m-20 -141.69 163.73 32.12 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.887 -179.788 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -104.07 -42.66 5.48 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.36 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.91 -37.41 84.31 Favored 'General case' 0 N--CA 1.473 0.716 0 N-CA-C 112.792 0.664 . . . . 0.0 112.792 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.483 ' O ' ' HB2' ' A' ' 47' ' ' LEU . 10.6 mt -71.47 -28.74 64.15 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 116.106 -0.497 . . . . 0.0 112.283 -179.42 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -75.65 -34.49 60.52 Favored 'General case' 0 N--CA 1.472 0.664 0 O-C-N 123.324 0.39 . . . . 0.0 111.422 179.412 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 54.9 mt-30 -72.13 -42.32 66.16 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.607 179.04 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 52.0 m -69.15 -33.92 74.19 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.053 178.448 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.483 ' HB2' ' O ' ' A' ' 43' ' ' LEU . 4.3 tp -70.49 -35.62 73.36 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.429 179.232 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 54.1 mt-30 -72.49 -39.86 67.35 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.5 179.596 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -71.58 -38.59 61.56 Favored Glycine 0 C--N 1.344 0.981 0 CA-C-N 116.046 -0.524 . . . . 0.0 112.553 179.39 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.576 ' O ' HG23 ' A' ' 54' ' ' VAL . 42.1 mt-10 -71.52 -35.91 70.86 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 122.758 0.423 . . . . 0.0 111.155 179.398 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.6 tt -71.36 -35.09 71.0 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.887 179.316 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 -73.6 -31.96 63.84 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.243 179.115 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 19.4 p -75.11 -35.37 61.73 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.633 179.149 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.576 HG23 ' O ' ' A' ' 50' ' ' GLU . 95.1 t -75.26 -33.83 29.3 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.246 178.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 14.0 ttpt -72.39 -37.1 68.8 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.07 179.185 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -72.91 -36.79 67.35 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.136 179.073 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 18.0 p -73.24 -31.56 64.19 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.168 179.061 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.7 tp -74.01 -37.28 64.43 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.574 179.202 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.523 ' O ' HG13 ' A' ' 62' ' ' ILE . 47.1 mt-30 -69.42 -37.88 77.62 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.739 178.646 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.63 -34.48 74.11 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.745 178.508 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.474 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 68.7 mmm -66.09 -43.96 85.76 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.35 178.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.523 HG13 ' O ' ' A' ' 59' ' ' GLN . 1.4 pt -75.11 -23.75 17.4 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 O-C-N 123.576 0.548 . . . . 0.0 111.508 179.416 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.441 ' O ' HD23 ' A' ' 63' ' ' LEU . 2.7 tt -84.58 -19.66 32.72 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.867 178.807 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -87.96 -38.92 15.14 Favored 'General case' 0 N--CA 1.468 0.459 0 O-C-N 123.435 0.459 . . . . 0.0 112.167 179.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.474 ' HG ' ' O ' ' A' ' 61' ' ' MET . 3.1 pp -87.7 -38.68 15.62 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 112.108 0.41 . . . . 0.0 112.108 -179.849 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.448 ' N ' HD12 ' A' ' 65' ' ' LEU . 4.6 mt-30 -99.83 115.64 65.4 Favored Pre-proline 0 CA--C 1.54 0.569 0 O-C-N 123.34 0.4 . . . . 0.0 110.823 179.646 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_exo -62.4 156.84 49.15 Favored 'Trans proline' 0 C--N 1.377 2.058 0 C-N-CA 122.587 2.192 . . . . 0.0 113.159 179.604 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 18.9 p -123.65 138.56 54.52 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.058 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 59.0 mttp -100.41 151.0 22.05 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.965 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -95.68 -41.58 8.82 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.326 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -99.57 130.27 45.79 Favored 'General case' 0 C--O 1.234 0.283 0 O-C-N 123.429 0.455 . . . . 0.0 111.109 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 126.86 -120.37 3.61 Favored Glycine 0 C--N 1.337 0.598 0 CA-C-N 115.884 -0.598 . . . . 0.0 112.533 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 63.06 128.45 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 123.969 0.908 . . . . 0.0 112.102 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -99.0 138.41 36.14 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.157 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 40.0 p -102.38 149.43 24.36 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.002 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -99.51 150.77 21.87 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.221 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 15.5 t -124.47 -41.36 2.16 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.263 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 92.7 m-85 59.03 104.97 0.03 OUTLIER Pre-proline 0 N--CA 1.484 1.274 0 C-N-CA 123.721 0.808 . . . . 0.0 111.939 -179.72 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 22.8 Cg_exo -66.16 143.4 71.26 Favored 'Trans proline' 0 C--N 1.376 2.003 0 C-N-CA 122.645 2.23 . . . . 0.0 112.884 179.465 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 18.8 p -138.07 148.55 45.15 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.968 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -123.51 -43.79 2.15 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.479 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 98.54 81.18 1.58 Allowed Glycine 0 C--N 1.341 0.845 0 O-C-N 123.475 0.485 . . . . 0.0 112.654 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -126.27 131.67 51.85 Favored 'General case' 0 C--O 1.235 0.297 0 O-C-N 123.672 0.278 . . . . 0.0 111.163 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 56.5 mt-30 62.88 126.06 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.348 0 C-N-CA 123.954 0.901 . . . . 0.0 112.108 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -110.59 141.78 43.32 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.78 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 18.5 p -102.05 132.09 48.11 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.075 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -129.52 141.29 51.02 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.83 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -100.5 128.43 46.56 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.169 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 5.8 mp -131.23 -42.64 1.07 Allowed 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.236 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 3.3 m -124.2 105.78 31.2 Favored Pre-proline 0 CA--C 1.545 0.776 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.333 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -64.48 -35.28 49.79 Favored 'Trans proline' 0 C--N 1.375 1.929 0 C-N-CA 122.609 2.206 . . . . 0.0 113.333 179.448 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 63.04 126.46 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 123.912 0.885 . . . . 0.0 112.048 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -168.39 87.66 0.09 OUTLIER Glycine 0 C--N 1.336 0.58 0 CA-C-N 115.784 -0.644 . . . . 0.0 112.503 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 53.3 m -101.99 140.73 35.88 Favored 'General case' 0 C--O 1.235 0.307 0 O-C-N 123.679 0.282 . . . . 0.0 110.856 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 134.01 -92.34 0.25 Allowed Glycine 0 C--N 1.338 0.659 0 CA-C-N 115.812 -0.631 . . . . 0.0 112.37 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -128.16 -42.41 1.53 Allowed 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 122.291 0.236 . . . . 0.0 111.23 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -154.72 -149.84 5.37 Favored Glycine 0 C--N 1.34 0.772 0 O-C-N 123.474 0.484 . . . . 0.0 112.546 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -123.53 147.0 47.67 Favored 'General case' 0 C--O 1.235 0.317 0 O-C-N 123.674 0.279 . . . . 0.0 110.863 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . 0.451 HD22 HD12 ' A' ' 102' ' ' LEU . 17.3 m120 -111.15 114.45 27.71 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.827 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -138.22 -37.91 0.56 Allowed 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.867 179.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -76.83 -29.54 55.96 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.612 179.617 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.451 HD12 HD22 ' A' ' 99' ' ' ASN . 16.0 mt -84.36 -26.51 28.37 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.772 179.782 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 63.5 mttm -69.33 -41.49 76.61 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 122.585 0.354 . . . . 0.0 111.954 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -64.74 -39.94 94.47 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 122.838 0.455 . . . . 0.0 111.728 179.61 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 47.5 tttt -74.58 -31.01 61.91 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.321 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -71.54 -37.68 71.1 Favored 'General case' 0 N--CA 1.469 0.516 0 O-C-N 123.446 0.466 . . . . 0.0 111.575 179.356 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -75.9 -35.23 59.88 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.513 179.355 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 52.4 m -70.24 -40.68 74.32 Favored 'General case' 0 N--CA 1.47 0.545 0 O-C-N 123.365 0.415 . . . . 0.0 111.418 179.266 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 22.2 mt -73.28 -36.11 66.26 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.113 179.293 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.403 ' O ' ' HG3' ' A' ' 114' ' ' GLN . . . -68.37 -35.19 77.36 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.131 179.149 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.484 ' O ' ' HD2' ' A' ' 115' ' ' TYR . 95.0 mttt -73.92 -34.24 64.28 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.742 178.791 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.408 ' O ' ' HB2' ' A' ' 116' ' ' LEU . 42.8 mt-10 -71.26 -31.61 67.72 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.371 178.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 24.3 mt -78.23 -33.02 17.37 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 178.45 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . 0.403 ' HG3' ' O ' ' A' ' 110' ' ' ALA . 53.0 mt-30 -66.81 -39.67 87.8 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.601 178.398 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . 0.484 ' HD2' ' O ' ' A' ' 111' ' ' LYS . 17.8 m-85 -73.92 -35.8 64.64 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.195 178.157 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.408 ' HB2' ' O ' ' A' ' 112' ' ' GLU . 5.1 tp -68.49 -36.17 78.54 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.945 178.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -72.85 -38.5 67.04 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.041 179.25 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -69.14 -32.07 71.18 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.424 178.299 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.582 ' O ' HG22 ' A' ' 123' ' ' VAL . 16.2 mt -71.59 -42.85 67.22 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.361 179.586 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 2.1 pp -70.2 -33.42 54.58 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 O-C-N 123.336 0.398 . . . . 0.0 111.201 179.073 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -73.03 -31.23 64.32 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.514 179.012 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -74.33 -37.98 63.4 Favored 'General case' 0 N--CA 1.469 0.512 0 O-C-N 123.381 0.425 . . . . 0.0 111.667 179.477 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.582 HG22 ' O ' ' A' ' 119' ' ' LEU . 2.5 m -73.62 -34.25 41.13 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 O-C-N 123.244 0.34 . . . . 0.0 111.108 178.541 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -71.07 -38.51 72.45 Favored 'General case' 0 N--CA 1.472 0.634 0 O-C-N 123.543 0.527 . . . . 0.0 111.403 178.649 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -74.17 -34.81 63.93 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-N 116.05 -0.523 . . . . 0.0 112.138 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -75.3 -40.7 58.28 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 116.12 -0.491 . . . . 0.0 112.133 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . 0.44 ' CZ ' ' HB2' ' A' ' 65' ' ' LEU . 94.8 mtt180 -118.43 129.74 55.57 Favored 'General case' 0 C--O 1.236 0.347 0 O-C-N 123.404 0.44 . . . . 0.0 110.819 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 119.9 -67.69 0.4 Allowed Glycine 0 C--N 1.337 0.619 0 CA-C-N 115.768 -0.651 . . . . 0.0 112.399 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -130.17 130.62 44.95 Favored 'General case' 0 C--O 1.234 0.267 0 C-N-CA 122.329 0.252 . . . . 0.0 110.886 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -102.51 143.75 31.82 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.78 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 35.9 ttt180 -101.16 146.68 27.17 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.62 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 28.5 m 49.94 157.81 0.04 OUTLIER Pre-proline 0 N--CA 1.493 1.691 0 C-N-CA 125.445 1.498 . . . . 0.0 114.017 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 6.8 Cg_exo . . . . . 0 C--N 1.379 2.142 0 C-N-CA 122.468 2.112 . . . . 0.0 112.676 179.864 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.194 0 CA-C-O 119.272 -0.738 . . . . 0.0 112.697 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_exo -75.75 152.95 37.91 Favored 'Trans proline' 0 C--N 1.371 1.712 0 C-N-CA 122.995 2.463 . . . . 0.0 112.808 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 31.4 m-90 -99.33 -40.2 8.03 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.294 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -99.76 131.87 45.46 Favored 'General case' 0 C--O 1.235 0.341 0 O-C-N 123.463 0.477 . . . . 0.0 110.791 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -128.54 -35.54 1.93 Allowed 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.597 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -94.46 120.15 34.26 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.244 -179.688 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 52.3 m -136.11 -43.0 0.64 Allowed 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.898 179.736 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 68.5 m-70 -122.72 -25.09 4.73 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.265 179.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.1 pp -89.24 79.57 1.69 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.532 0 CA-C-O 121.476 0.655 . . . . 0.0 111.11 179.682 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 10.9 p -139.8 -33.95 0.25 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.778 0 CA-C-N 115.048 -0.978 . . . . 0.0 110.845 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 58.2 m -88.09 -26.77 22.35 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.784 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -93.9 -14.54 25.93 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.946 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -90.57 -22.28 21.34 Favored 'General case' 0 N--CA 1.469 0.517 0 O-C-N 123.365 0.416 . . . . 0.0 111.774 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.3 m -74.32 -38.73 47.92 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.775 0 N-CA-C 112.413 0.523 . . . . 0.0 112.413 -179.709 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -66.88 -37.26 92.1 Favored Glycine 0 C--N 1.341 0.857 0 O-C-N 123.441 0.463 . . . . 0.0 113.636 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -76.68 -31.72 57.45 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 122.564 0.346 . . . . 0.0 111.525 179.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 64.6 mttm -76.17 -33.95 59.35 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.933 179.189 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 93.6 m -73.57 -39.47 64.65 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.73 178.719 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.556 ' O ' HG22 ' A' ' 23' ' ' VAL . 42.3 mt-10 -70.38 -36.32 74.05 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.426 179.06 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.97 -37.49 67.03 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.602 179.685 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.536 ' O ' ' HB2' ' A' ' 25' ' ' LEU . 3.0 tp -73.67 -27.61 23.34 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.776 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.421 178.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -73.04 -43.04 41.98 Favored Glycine 0 C--N 1.348 1.226 0 CA-C-N 115.837 -0.62 . . . . 0.0 112.487 178.661 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.556 HG22 ' O ' ' A' ' 19' ' ' GLU . 3.0 m -71.01 -36.52 63.84 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 CA-C-O 120.704 0.288 . . . . 0.0 111.186 178.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -69.34 -36.02 76.5 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.734 178.662 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.536 ' HB2' ' O ' ' A' ' 21' ' ' ILE . 0.2 OUTLIER -69.86 -35.38 74.65 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.86 179.014 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.63 -40.82 80.13 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.935 179.152 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 30.2 m80 -69.9 -32.67 71.12 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 116.009 -0.542 . . . . 0.0 111.131 178.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.497 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 21.0 mt -74.73 -29.79 61.29 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.187 178.794 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.416 ' HG3' ' O ' ' A' ' 25' ' ' LEU . 40.2 mt-10 -72.39 -41.48 66.26 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.865 179.098 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -69.63 -37.61 76.87 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.731 178.683 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -74.14 -25.0 59.5 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.059 178.752 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.497 ' HB2' ' O ' ' A' ' 28' ' ' LEU . 2.8 tt -75.28 -39.52 59.62 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.833 179.206 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.5 mp -71.91 -37.36 70.08 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.725 178.685 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -71.81 -32.58 63.76 Favored Glycine 0 C--N 1.343 0.959 0 CA-C-N 115.733 -0.667 . . . . 0.0 112.34 178.594 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -81.16 -24.72 37.36 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 122.787 0.435 . . . . 0.0 111.437 178.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 13.0 mtt -80.34 -32.48 37.84 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.607 179.47 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -78.18 -35.57 48.51 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.487 179.646 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 55.6 p -86.58 -27.85 23.65 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.763 179.741 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 3.8 t60 63.15 108.24 0.03 OUTLIER 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 124.067 0.947 . . . . 0.0 111.712 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -143.14 166.48 24.57 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.433 179.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -98.01 -40.22 8.56 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.571 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.02 -39.94 87.16 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 112.907 0.706 . . . . 0.0 112.907 -179.653 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 21.1 mt -70.15 -35.75 74.25 Favored 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 112.373 0.508 . . . . 0.0 112.373 -179.314 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -68.86 -34.22 75.09 Favored 'General case' 0 N--CA 1.471 0.62 0 O-C-N 123.245 0.341 . . . . 0.0 111.538 179.633 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -72.64 -40.23 66.55 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.635 178.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 52.1 m -69.14 -37.84 78.5 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.295 178.745 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 20.0 mt -70.81 -33.75 71.03 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.835 179.384 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 50.5 mt-30 -72.7 -39.21 67.17 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.501 179.462 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -71.62 -37.04 62.01 Favored Glycine 0 C--N 1.344 1.004 0 CA-C-N 116.109 -0.496 . . . . 0.0 112.633 179.107 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.518 ' O ' HG22 ' A' ' 54' ' ' VAL . 43.0 mt-10 -72.37 -35.52 68.5 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 122.859 0.463 . . . . 0.0 111.164 179.236 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.7 tt -71.81 -35.21 69.89 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.892 179.154 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -74.66 -31.44 61.94 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.064 179.068 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 17.6 p -74.49 -36.36 63.25 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.556 179.173 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.518 HG22 ' O ' ' A' ' 50' ' ' GLU . 10.6 m -74.65 -34.01 33.44 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 O-C-N 123.243 0.34 . . . . 0.0 110.955 178.844 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 55.0 tttt -71.07 -37.15 72.47 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.618 178.613 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -72.89 -33.57 66.11 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.097 178.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 12.3 p -73.48 -33.06 64.64 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.265 178.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.9 tt -72.5 -39.36 67.69 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.551 179.178 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.436 ' O ' HG13 ' A' ' 62' ' ' ILE . 54.3 mt-30 -69.4 -36.68 77.0 Favored 'General case' 0 N--CA 1.472 0.675 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.662 178.618 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.447 ' O ' ' HB2' ' A' ' 64' ' ' GLN . . . -70.12 -31.74 69.43 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.021 178.683 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 55.0 mmm -70.72 -43.1 69.65 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.514 179.059 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.441 ' O ' ' HB2' ' A' ' 66' ' ' GLN . 1.4 pt -75.67 -24.34 16.94 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 O-C-N 123.385 0.428 . . . . 0.0 111.851 179.222 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.6 tp -85.4 -24.74 27.38 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.292 179.404 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.447 ' HB2' ' O ' ' A' ' 60' ' ' ALA . 11.6 tt0 -89.25 -31.91 17.65 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.451 179.684 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 12.4 mt -90.46 -40.68 11.88 Favored 'General case' 0 N--CA 1.469 0.481 0 O-C-N 123.322 0.389 . . . . 0.0 111.323 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.441 ' HB2' ' O ' ' A' ' 62' ' ' ILE . 54.9 mt-30 -109.24 103.43 52.48 Favored Pre-proline 0 CA--C 1.542 0.673 0 O-C-N 123.584 0.553 . . . . 0.0 110.415 179.684 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 21.8 Cg_exo -66.14 119.87 6.95 Favored 'Trans proline' 0 C--N 1.375 1.942 0 C-N-CA 122.588 2.192 . . . . 0.0 113.153 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 4.5 t -148.38 108.38 4.06 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.664 179.704 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -136.11 139.11 42.71 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.961 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -130.24 125.28 34.48 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.744 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -128.59 131.58 48.15 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.075 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 99.91 -105.5 3.01 Favored Glycine 0 C--N 1.337 0.639 0 CA-C-N 115.824 -0.626 . . . . 0.0 112.502 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -117.3 145.9 43.69 Favored 'General case' 0 N--CA 1.465 0.319 0 O-C-N 123.719 0.306 . . . . 0.0 110.851 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -100.28 144.52 29.19 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.158 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 52.3 m -115.69 138.17 51.36 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.923 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -100.91 144.99 29.19 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.079 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 53.1 m -108.11 -42.64 4.6 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.281 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 91.0 m-85 -129.09 114.63 18.69 Favored Pre-proline 0 CA--C 1.541 0.624 0 O-C-N 123.398 0.436 . . . . 0.0 110.841 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 25.2 Cg_exo -64.14 -35.3 53.65 Favored 'Trans proline' 0 C--N 1.375 1.942 0 C-N-CA 122.616 2.21 . . . . 0.0 113.296 179.42 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 40.9 p 52.37 107.57 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 124.329 1.052 . . . . 0.0 112.863 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -108.34 144.12 36.31 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.723 -0.672 . . . . 0.0 111.108 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -168.42 -151.38 7.09 Favored Glycine 0 C--N 1.337 0.608 0 CA-C-N 115.871 -0.604 . . . . 0.0 112.562 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -100.71 145.57 28.29 Favored 'General case' 0 C--O 1.235 0.319 0 O-C-N 123.574 0.22 . . . . 0.0 111.111 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -101.12 -45.66 5.31 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.85 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -131.87 127.22 36.06 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.901 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 6.3 t -141.76 123.36 15.06 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.897 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -112.73 122.41 47.57 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.776 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -133.36 140.65 47.5 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.016 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 5.8 mp -128.82 119.17 24.0 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.834 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.703 ' H ' ' CD ' ' A' ' 91' ' ' PRO . 2.9 m -145.77 -32.3 0.0 OUTLIER Pre-proline 0 CA--C 1.552 1.047 0 CA-C-O 118.249 -0.881 . . . . 0.0 113.248 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.703 ' CD ' ' H ' ' A' ' 90' ' ' VAL . 3.1 Cg_exo -76.87 158.75 34.82 Favored 'Trans proline' 0 C--N 1.383 2.383 0 C-N-CA 122.011 1.807 . . . . 0.0 112.88 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -122.8 130.74 53.26 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.798 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -156.43 -154.24 6.93 Favored Glycine 0 C--N 1.336 0.566 0 CA-C-N 115.947 -0.57 . . . . 0.0 112.626 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 52.9 m -128.82 146.37 50.94 Favored 'General case' 0 C--O 1.236 0.343 0 C-N-CA 122.317 0.247 . . . . 0.0 110.936 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -132.4 120.11 2.64 Favored Glycine 0 C--N 1.336 0.576 0 CA-C-N 115.835 -0.62 . . . . 0.0 112.508 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -107.66 -43.51 4.48 Favored 'General case' 0 C--O 1.235 0.328 0 O-C-N 123.66 0.271 . . . . 0.0 110.952 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -112.52 -106.81 2.84 Favored Glycine 0 C--N 1.34 0.764 0 O-C-N 123.443 0.464 . . . . 0.0 112.564 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -99.77 148.39 24.45 Favored 'General case' 0 C--O 1.235 0.337 0 O-C-N 123.645 0.262 . . . . 0.0 110.966 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 42.1 m-80 -128.28 -27.56 2.67 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.76 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -87.23 -26.29 23.58 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 111.997 0.369 . . . . 0.0 111.997 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -76.92 -29.87 55.86 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 112.314 0.487 . . . . 0.0 112.314 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 11.9 mt -85.3 -26.93 26.3 Favored 'General case' 0 N--CA 1.47 0.572 0 O-C-N 123.347 0.404 . . . . 0.0 111.956 -179.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 63.9 mttm -74.81 -35.81 62.46 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 111.974 0.361 . . . . 0.0 111.974 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -64.51 -41.37 96.45 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 122.731 0.412 . . . . 0.0 111.645 179.675 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -78.77 -33.28 46.52 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.498 179.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -71.64 -38.05 70.79 Favored 'General case' 0 N--CA 1.47 0.555 0 O-C-N 123.466 0.479 . . . . 0.0 111.493 179.206 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -75.95 -38.48 57.52 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.738 179.507 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 66.4 m -70.37 -37.58 74.6 Favored 'General case' 0 N--CA 1.471 0.619 0 O-C-N 123.214 0.321 . . . . 0.0 111.189 179.368 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 3.6 tp -73.22 -37.03 66.55 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.82 179.372 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -68.35 -34.89 76.89 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.264 179.184 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -74.35 -33.37 63.1 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.954 178.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.438 ' O ' ' HB2' ' A' ' 116' ' ' LEU . 42.4 mt-10 -73.5 -31.25 63.63 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.623 178.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 26.7 mt -79.45 -33.09 15.08 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 178.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 52.2 mt-30 -69.06 -38.3 79.01 Favored 'General case' 0 N--CA 1.472 0.636 0 O-C-N 123.411 0.445 . . . . 0.0 110.319 178.262 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 13.5 t80 -73.8 -35.83 64.94 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.891 178.434 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.438 ' HB2' ' O ' ' A' ' 112' ' ' GLU . 7.3 tp -67.98 -38.18 82.4 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.798 178.739 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 92.4 mttt -70.33 -38.43 74.89 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.099 179.245 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -68.97 -31.59 70.56 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.226 178.442 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.578 ' O ' HG22 ' A' ' 123' ' ' VAL . 16.5 mt -71.46 -41.57 69.24 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.581 179.296 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 12.8 mt -70.13 -34.6 59.89 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 O-C-N 123.349 0.406 . . . . 0.0 110.371 179.161 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -73.0 -30.87 64.11 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.622 179.213 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -75.95 -35.87 59.52 Favored 'General case' 0 N--CA 1.47 0.537 0 O-C-N 123.399 0.437 . . . . 0.0 111.727 179.575 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.578 HG22 ' O ' ' A' ' 119' ' ' LEU . 3.6 m -75.82 -33.57 26.08 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 O-C-N 123.216 0.322 . . . . 0.0 110.896 178.672 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 37.9 ttt180 -71.06 -39.84 71.99 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.059 178.678 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -74.2 -35.35 63.94 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.992 179.666 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -75.18 -42.58 55.52 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 116.04 -0.527 . . . . 0.0 112.182 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 29.9 ttt180 -128.64 129.74 46.29 Favored 'General case' 0 C--O 1.235 0.322 0 O-C-N 123.459 0.474 . . . . 0.0 110.571 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 152.86 147.15 4.53 Favored Glycine 0 C--N 1.337 0.604 0 CA-C-N 115.817 -0.629 . . . . 0.0 112.486 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -99.33 -40.88 7.69 Favored 'General case' 0 N--CA 1.466 0.352 0 O-C-N 123.651 0.265 . . . . 0.0 111.303 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -98.46 140.58 32.5 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.94 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 86.4 mtm180 -128.15 129.87 47.21 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.869 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . 0.461 ' H ' ' HD3' ' A' ' 133' ' ' PRO . 3.9 m -93.02 -30.87 0.31 Allowed Pre-proline 0 CA--C 1.553 1.065 0 N-CA-C 113.275 0.843 . . . . 0.0 113.275 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . 0.461 ' HD3' ' H ' ' A' ' 132' ' ' VAL . 2.6 Cg_exo . . . . . 0 C--N 1.382 2.303 0 C-N-CA 122.177 1.918 . . . . 0.0 112.835 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.298 0 CA-C-O 119.306 -0.719 . . . . 0.0 112.6 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.422 ' HB2' ' CE3' ' A' ' 3' ' ' TRP . 5.5 Cg_exo -75.58 -35.63 2.65 Favored 'Trans proline' 0 C--N 1.37 1.686 0 C-N-CA 122.986 2.457 . . . . 0.0 113.124 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 0.422 ' CE3' ' HB2' ' A' ' 2' ' ' PRO . 31.0 m-90 -109.07 145.52 35.49 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.863 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -121.8 149.47 43.28 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.996 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -98.63 -31.11 12.1 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.443 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -88.25 -2.79 58.81 Favored 'General case' 0 CA--C 1.539 0.53 0 O-C-N 123.399 0.437 . . . . 0.0 111.903 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 12.6 t -91.65 -20.01 22.07 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.8 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 60.7 m80 -92.65 -36.38 13.0 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.627 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.1 pp -91.77 85.0 2.15 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 CA-C-O 121.357 0.599 . . . . 0.0 111.27 179.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 3.2 m -146.98 -35.63 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 CA-C-N 115.221 -0.9 . . . . 0.0 111.246 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 71.8 m -83.8 -18.03 39.06 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.95 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -95.52 -19.72 19.6 Favored 'General case' 0 N--CA 1.466 0.357 0 O-C-N 123.328 0.392 . . . . 0.0 111.938 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -89.37 -22.07 22.78 Favored 'General case' 0 N--CA 1.469 0.512 0 O-C-N 123.292 0.37 . . . . 0.0 111.859 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.7 m -71.3 -39.36 72.38 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 N-CA-C 112.584 0.587 . . . . 0.0 112.584 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -67.34 -40.47 91.8 Favored Glycine 0 C--N 1.341 0.845 0 CA-C-N 116.133 -0.485 . . . . 0.0 113.703 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -73.29 -38.83 65.75 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 122.54 0.336 . . . . 0.0 111.194 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.646 ' O ' HG12 ' A' ' 21' ' ' ILE . 96.6 mttt -70.83 -34.56 71.82 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.131 179.371 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 48.9 t -71.43 -37.14 71.48 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.548 178.713 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.562 ' O ' HG22 ' A' ' 23' ' ' VAL . 41.0 mt-10 -69.89 -31.32 69.08 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.889 178.631 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.32 -40.04 67.77 Favored 'General case' 0 C--N 1.348 0.505 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.483 178.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.646 HG12 ' O ' ' A' ' 17' ' ' LYS . 40.8 mm -72.4 -27.44 26.24 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.901 178.51 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -71.93 -44.01 47.78 Favored Glycine 0 C--N 1.348 1.227 0 CA-C-N 116.019 -0.537 . . . . 0.0 112.563 178.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.562 HG22 ' O ' ' A' ' 19' ' ' GLU . 3.1 m -71.09 -35.09 57.38 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 CA-C-O 120.614 0.245 . . . . 0.0 111.231 179.144 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.481 ' O ' ' HB2' ' A' ' 28' ' ' LEU . 96.9 mttt -71.49 -33.59 69.4 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.921 178.855 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.475 ' HB2' ' O ' ' A' ' 21' ' ' ILE . 2.7 tt -70.02 -40.96 74.89 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.999 179.249 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 13.8 mt -67.54 -42.24 83.03 Favored 'General case' 0 N--CA 1.475 0.819 0 O-C-N 123.317 0.386 . . . . 0.0 111.228 179.362 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 20.5 m-70 -69.73 -31.39 69.36 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.072 178.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.481 ' HB2' ' O ' ' A' ' 24' ' ' LYS . 2.2 tp -74.44 -29.37 61.46 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.114 179.055 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.441 ' HG3' ' O ' ' A' ' 25' ' ' LEU . 43.8 mt-10 -73.74 -41.47 62.47 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.879 178.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -69.67 -36.85 76.38 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.922 178.703 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 18.7 mm-40 -74.18 -28.82 61.47 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.02 178.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.74 -38.46 67.41 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.108 179.165 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.459 ' O ' ' HD1' ' A' ' 37' ' ' TYR . 11.2 mt -71.0 -40.37 71.86 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.676 178.769 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -72.0 -27.2 70.86 Favored Glycine 0 C--N 1.343 0.96 0 CA-C-N 115.741 -0.663 . . . . 0.0 112.635 178.711 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -81.18 -30.09 34.46 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 122.721 0.408 . . . . 0.0 111.753 179.234 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 47.9 mtt -78.83 -36.27 42.81 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 116.251 -0.432 . . . . 0.0 112.164 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.459 ' HD1' ' O ' ' A' ' 33' ' ' LEU . 34.3 m-85 -81.1 -40.17 24.5 Favored 'General case' 0 N--CA 1.471 0.581 0 N-CA-C 112.149 0.426 . . . . 0.0 112.149 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 53.5 m -86.77 -20.74 27.17 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.979 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 69.9 m-70 62.52 113.05 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 123.847 0.859 . . . . 0.0 111.956 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -141.02 165.9 26.28 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.787 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -109.59 -39.72 5.07 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.465 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.85 -30.07 70.15 Favored 'General case' 0 N--CA 1.475 0.786 0 N-CA-C 112.898 0.703 . . . . 0.0 112.898 -179.747 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.1 mt -71.17 -28.72 64.45 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 112.411 0.523 . . . . 0.0 112.411 -179.56 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 32.9 m-85 -73.94 -36.02 64.61 Favored 'General case' 0 N--CA 1.472 0.642 0 O-C-N 123.283 0.364 . . . . 0.0 111.361 179.175 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 12.3 mm100 -71.64 -41.63 68.56 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.648 179.09 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 52.6 m -69.12 -32.35 71.67 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.875 178.461 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 5.8 tp -70.52 -37.1 74.06 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.191 179.117 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 12.2 mm100 -71.71 -39.95 69.83 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.565 179.708 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -71.67 -39.12 60.84 Favored Glycine 0 C--N 1.342 0.87 0 O-C-N 123.542 0.526 . . . . 0.0 113.011 179.468 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.509 ' O ' HG22 ' A' ' 54' ' ' VAL . 42.3 mt-10 -71.77 -35.68 70.14 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 122.741 0.417 . . . . 0.0 111.478 179.601 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.7 tp -72.44 -35.79 68.39 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.07 179.559 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -74.61 -30.66 61.75 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.253 179.077 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 16.5 p -75.14 -36.78 61.55 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.584 179.097 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.509 HG22 ' O ' ' A' ' 50' ' ' GLU . 13.3 m -74.74 -33.94 32.59 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 O-C-N 123.368 0.417 . . . . 0.0 110.878 178.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 54.6 tttt -71.37 -37.75 71.6 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.765 178.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -72.95 -33.81 66.12 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.038 178.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 12.1 p -75.08 -30.82 61.06 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.083 178.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.9 tt -73.16 -40.46 64.83 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.514 179.225 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -69.72 -38.98 77.11 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.913 178.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.467 ' O ' ' HB2' ' A' ' 64' ' ' GLN . . . -69.91 -30.75 68.24 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.161 178.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 3.1 mmm -71.19 -43.19 67.92 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.343 179.199 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.409 ' H ' HG13 ' A' ' 62' ' ' ILE . 2.1 pp -75.26 -24.55 17.58 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.641 179.582 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 2.9 tt -85.24 -24.44 27.79 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.159 179.051 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.467 ' HB2' ' O ' ' A' ' 60' ' ' ALA . 5.2 tt0 -89.01 -27.63 20.73 Favored 'General case' 0 CA--C 1.538 0.493 0 O-C-N 123.388 0.43 . . . . 0.0 111.609 179.792 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 21.0 mt -75.47 -10.85 59.81 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 112.334 0.494 . . . . 0.0 112.334 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -93.98 156.33 39.31 Favored Pre-proline 0 CA--C 1.541 0.607 0 CA-C-O 119.376 -0.345 . . . . 0.0 111.03 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.92 -35.43 2.52 Favored 'Trans proline' 0 C--N 1.375 1.956 0 C-N-CA 122.638 2.225 . . . . 0.0 113.11 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 19.0 p -97.51 143.43 28.22 Favored 'General case' 0 C--O 1.235 0.321 0 O-C-N 123.337 0.398 . . . . 0.0 111.327 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -128.91 136.65 50.68 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.741 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -100.37 134.82 42.75 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.823 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -100.68 145.06 28.9 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.111 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 103.54 88.99 2.08 Favored Glycine 0 C--N 1.336 0.58 0 O-C-N 123.7 0.625 . . . . 0.0 112.55 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -101.02 142.28 32.71 Favored 'General case' 0 C--O 1.235 0.307 0 C-N-CA 122.29 0.236 . . . . 0.0 110.482 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -125.85 132.72 52.15 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.164 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 53.4 m -100.89 135.27 42.61 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.924 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -104.61 146.3 29.11 Favored 'General case' 0 C--O 1.236 0.351 0 O-C-N 123.651 0.594 . . . . 0.0 111.2 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 54.9 m -123.74 131.89 53.69 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.914 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 36.8 p90 -130.13 158.81 73.0 Favored Pre-proline 0 CA--C 1.545 0.786 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.99 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 7.3 Cg_exo -74.23 157.19 46.23 Favored 'Trans proline' 0 C--N 1.377 2.053 0 C-N-CA 122.536 2.157 . . . . 0.0 112.708 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 19.4 p -124.95 -45.72 1.86 Allowed 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.411 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -126.52 147.03 49.9 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.072 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -135.13 66.51 0.56 Allowed Glycine 0 C--N 1.337 0.621 0 CA-C-N 115.86 -0.609 . . . . 0.0 112.463 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -99.22 150.66 21.85 Favored 'General case' 0 C--O 1.235 0.326 0 O-C-N 123.679 0.282 . . . . 0.0 111.289 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 54.7 mt-30 -96.4 -39.26 9.69 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.403 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -96.52 142.82 28.14 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.913 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 19.3 p -99.11 -43.92 6.48 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.467 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -97.15 142.07 29.51 Favored 'General case' 0 C--O 1.235 0.327 0 O-C-N 123.36 0.413 . . . . 0.0 111.038 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -114.27 152.93 30.58 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.087 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 2.7 tt -95.21 -43.19 8.19 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.006 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.407 ' HA ' ' HD3' ' A' ' 91' ' ' PRO . 13.3 p -121.04 125.2 27.09 Favored Pre-proline 0 CA--C 1.554 1.122 0 O-C-N 123.384 0.428 . . . . 0.0 110.598 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 90' ' ' VAL . 7.1 Cg_exo -74.15 -36.39 3.36 Favored 'Trans proline' 0 C--N 1.376 1.985 0 C-N-CA 122.475 2.116 . . . . 0.0 113.099 179.731 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -100.23 149.59 23.41 Favored 'General case' 0 N--CA 1.466 0.343 0 O-C-N 123.389 0.431 . . . . 0.0 111.077 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -154.66 118.95 0.89 Allowed Glycine 0 C--N 1.336 0.569 0 CA-C-N 115.728 -0.669 . . . . 0.0 112.429 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 53.5 m -99.54 146.56 26.28 Favored 'General case' 0 C--O 1.236 0.351 0 O-C-N 123.606 0.239 . . . . 0.0 110.999 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 158.85 -136.4 4.69 Favored Glycine 0 C--N 1.337 0.6 0 CA-C-N 115.829 -0.623 . . . . 0.0 112.505 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -100.41 150.21 22.86 Favored 'General case' 0 C--O 1.236 0.381 0 C-N-CA 122.289 0.236 . . . . 0.0 110.994 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -98.54 -157.73 29.67 Favored Glycine 0 C--N 1.337 0.615 0 CA-C-N 115.863 -0.608 . . . . 0.0 112.666 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -130.16 147.19 51.86 Favored 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 122.335 0.254 . . . . 0.0 110.959 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -111.3 -14.33 13.81 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.635 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -90.75 -19.71 23.21 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 122.563 0.345 . . . . 0.0 111.85 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -76.98 -31.45 56.53 Favored 'General case' 0 N--CA 1.471 0.61 0 O-C-N 123.424 0.453 . . . . 0.0 112.192 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 11.1 mt -86.3 -28.34 23.79 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.732 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -74.46 -38.58 62.9 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 122.687 0.395 . . . . 0.0 111.807 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -64.7 -39.69 94.09 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 122.792 0.437 . . . . 0.0 111.683 179.561 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.435 ' O ' ' HB2' ' A' ' 109' ' ' LEU . 97.1 mttt -78.07 -33.11 51.01 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.516 179.851 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -71.72 -40.15 69.63 Favored 'General case' 0 N--CA 1.469 0.512 0 O-C-N 123.318 0.386 . . . . 0.0 111.514 179.182 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -75.9 -34.8 59.96 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.793 179.427 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . 0.432 ' O ' ' HG3' ' A' ' 112' ' ' GLU . 15.8 t -72.41 -36.79 68.72 Favored 'General case' 0 N--CA 1.471 0.606 0 O-C-N 123.349 0.405 . . . . 0.0 111.122 179.259 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.435 ' HB2' ' O ' ' A' ' 105' ' ' LYS . 1.1 tt -73.74 -37.61 65.02 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.79 179.383 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.446 ' O ' ' HG3' ' A' ' 114' ' ' GLN . . . -69.11 -34.01 74.39 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.788 178.572 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.461 ' O ' ' HD2' ' A' ' 115' ' ' TYR . 23.7 tttm -73.03 -33.61 65.83 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.418 178.754 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.432 ' HG3' ' O ' ' A' ' 108' ' ' SER . 40.7 mt-10 -68.01 -36.9 80.75 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.988 178.442 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 27.2 mt -73.41 -33.2 39.56 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.954 178.244 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . 0.446 ' HG3' ' O ' ' A' ' 110' ' ' ALA . 45.6 mt-30 -65.22 -37.41 87.19 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.653 178.355 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . 0.461 ' HD2' ' O ' ' A' ' 111' ' ' LYS . 14.7 m-85 -73.56 -35.82 65.54 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.307 177.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.637 ' O ' HG12 ' A' ' 120' ' ' ILE . 10.0 tp -68.09 -41.02 82.48 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 115.419 -0.809 . . . . 0.0 110.724 178.834 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -69.54 -36.24 76.19 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.934 179.171 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -68.8 -33.64 74.2 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.941 178.665 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.571 ' O ' HG22 ' A' ' 123' ' ' VAL . 12.2 mt -71.16 -38.68 72.19 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.393 179.411 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . 0.637 HG12 ' O ' ' A' ' 116' ' ' LEU . 41.5 mm -69.28 -36.21 71.37 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 O-C-N 123.463 0.477 . . . . 0.0 110.121 178.606 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -72.91 -28.99 62.78 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.521 179.029 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -76.12 -36.86 58.66 Favored 'General case' 0 N--CA 1.471 0.595 0 O-C-N 123.35 0.406 . . . . 0.0 111.643 179.456 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.571 HG22 ' O ' ' A' ' 119' ' ' LEU . 3.3 m -75.32 -33.82 29.0 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.775 0 O-C-N 123.248 0.342 . . . . 0.0 110.965 178.727 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 34.2 ttt180 -71.31 -39.84 71.18 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.048 178.721 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -74.28 -34.28 63.5 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-N 116.04 -0.527 . . . . 0.0 112.162 179.748 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -75.1 -41.83 57.85 Favored 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 112.249 0.463 . . . . 0.0 112.249 -179.715 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 21.3 ttt180 -118.22 127.86 54.15 Favored 'General case' 0 C--O 1.235 0.332 0 O-C-N 123.432 0.458 . . . . 0.0 110.631 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 143.74 -101.44 0.26 Allowed Glycine 0 C--N 1.337 0.638 0 CA-C-N 115.774 -0.648 . . . . 0.0 112.43 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -130.07 144.16 51.19 Favored 'General case' 0 N--CA 1.466 0.327 0 O-C-N 123.662 0.272 . . . . 0.0 110.889 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 59.0 mttp -128.45 143.0 50.92 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.782 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 63.08 126.38 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 123.95 0.9 . . . . 0.0 111.991 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 3.1 m -129.23 98.68 22.88 Favored Pre-proline 0 CA--C 1.546 0.797 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.331 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 15.1 Cg_exo . . . . . 0 C--N 1.375 1.922 0 C-N-CA 122.819 2.346 . . . . 0.0 112.716 179.516 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.176 0 CA-C-O 119.188 -0.785 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -75.56 136.5 19.37 Favored 'Trans proline' 0 C--N 1.37 1.692 0 C-N-CA 122.926 2.418 . . . . 0.0 112.799 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 19.8 p-90 -112.11 139.04 47.97 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.063 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 58.9 mttp -97.09 150.34 20.94 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.125 -179.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -101.98 -39.2 7.44 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.457 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -98.09 122.54 41.36 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.232 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 53.0 m -131.93 -42.32 1.01 Allowed 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.017 179.741 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 66.9 m-70 -119.57 -18.42 8.43 Favored 'General case' 0 N--CA 1.466 0.375 0 O-C-N 123.549 0.531 . . . . 0.0 111.431 179.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.1 pp -91.13 88.16 2.76 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 CA-C-O 121.268 0.556 . . . . 0.0 111.292 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 3.2 m -146.58 -35.26 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 CA-C-N 115.288 -0.869 . . . . 0.0 111.36 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 13.9 t -83.69 -16.87 43.34 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 115.993 -0.548 . . . . 0.0 111.97 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -96.26 -23.22 16.79 Favored 'General case' 0 N--CA 1.468 0.475 0 O-C-N 123.316 0.385 . . . . 0.0 111.928 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -86.72 -22.05 26.25 Favored 'General case' 0 N--CA 1.471 0.624 0 O-C-N 123.373 0.421 . . . . 0.0 111.863 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.4 m -74.67 -37.71 43.65 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 N-CA-C 112.523 0.564 . . . . 0.0 112.523 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -59.12 -39.74 94.79 Favored Glycine 0 C--N 1.342 0.871 0 CA-C-N 116.16 -0.473 . . . . 0.0 113.975 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -75.66 -36.4 60.14 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 122.446 0.298 . . . . 0.0 111.497 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.443 ' HD3' ' SD ' ' A' ' 61' ' ' MET . 97.2 mttt -73.21 -34.3 65.86 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.082 179.402 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.497 ' O ' HG22 ' A' ' 21' ' ' ILE . 87.4 m -74.11 -36.45 64.22 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.844 178.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.566 ' O ' HG22 ' A' ' 23' ' ' VAL . 36.6 mt-10 -70.06 -34.86 73.75 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.916 178.544 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.49 -38.52 68.13 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.351 179.137 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.497 HG22 ' O ' ' A' ' 18' ' ' CYS . 1.5 tp -71.92 -28.44 30.2 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.879 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.437 178.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.52 -43.48 44.51 Favored Glycine 0 C--N 1.348 1.228 0 CA-C-N 115.608 -0.724 . . . . 0.0 112.54 178.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.566 HG22 ' O ' ' A' ' 19' ' ' GLU . 2.7 m -70.23 -34.08 57.25 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 CA-C-O 120.685 0.279 . . . . 0.0 110.992 178.841 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.405 ' O ' ' HB2' ' A' ' 28' ' ' LEU . 95.0 mttt -71.1 -33.53 70.25 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.789 178.388 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 10.3 tp -69.78 -40.22 76.17 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.16 178.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 14.5 mt -68.29 -42.59 79.28 Favored 'General case' 0 N--CA 1.474 0.728 0 O-C-N 123.309 0.381 . . . . 0.0 111.604 179.625 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 27.4 m-70 -69.69 -31.65 69.8 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.154 178.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.443 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 4.7 tp -74.74 -29.94 61.33 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.915 179.01 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.565 ' OE1' HD13 ' A' ' 113' ' ' ILE . 6.6 mm-40 -72.84 -41.1 65.18 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.978 179.123 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -69.8 -37.88 76.45 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.03 178.711 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -74.42 -27.18 60.51 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.519 179.084 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.443 ' HB2' ' O ' ' A' ' 28' ' ' LEU . 5.2 tt -73.92 -42.2 60.97 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.063 179.517 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 5.4 mt -72.53 -35.69 68.13 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.772 179.022 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -72.43 -31.04 63.72 Favored Glycine 0 C--N 1.343 0.963 0 CA-C-N 115.7 -0.682 . . . . 0.0 112.763 178.503 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -81.15 -30.19 34.52 Favored 'General case' 0 C--N 1.347 0.475 0 C-N-CA 122.603 0.361 . . . . 0.0 111.94 179.499 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 52.4 mtt -81.98 -30.08 31.82 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.975 179.756 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 10.7 t80 -81.15 -39.07 26.13 Favored 'General case' 0 N--CA 1.469 0.522 0 O-C-N 123.317 0.385 . . . . 0.0 111.343 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 52.4 m -86.49 -21.11 27.18 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.962 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 66.2 m80 61.56 110.29 0.02 OUTLIER 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 123.845 0.858 . . . . 0.0 111.897 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.404 ' CB ' HD12 ' A' ' 43' ' ' LEU . 6.7 m-20 -142.04 159.45 42.2 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.888 -179.806 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -97.89 -40.59 8.43 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.68 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.64 -36.36 82.39 Favored 'General case' 0 N--CA 1.475 0.794 0 N-CA-C 112.612 0.597 . . . . 0.0 112.612 -179.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.446 ' O ' ' HB2' ' A' ' 47' ' ' LEU . 7.0 mt -68.88 -28.3 66.57 Favored 'General case' 0 N--CA 1.472 0.625 0 CA-C-N 116.05 -0.523 . . . . 0.0 112.161 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 9.6 t80 -67.35 -41.07 85.78 Favored 'General case' 0 N--CA 1.472 0.656 0 O-C-N 123.263 0.352 . . . . 0.0 111.118 179.554 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -71.79 -38.82 70.23 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.549 178.779 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 53.2 m -69.19 -34.09 74.37 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.92 178.316 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.446 ' HB2' ' O ' ' A' ' 43' ' ' LEU . 3.7 tp -70.74 -35.96 72.91 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.298 179.16 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -71.14 -40.63 71.25 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.488 179.553 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -71.06 -39.19 63.38 Favored Glycine 0 C--N 1.344 1.016 0 CA-C-N 116.126 -0.488 . . . . 0.0 112.593 179.258 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.607 ' O ' HG23 ' A' ' 54' ' ' VAL . 42.3 mt-10 -70.54 -35.75 73.3 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 122.738 0.415 . . . . 0.0 111.049 179.231 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.417 ' HB2' ' O ' ' A' ' 47' ' ' LEU . 2.7 tt -70.35 -35.11 73.36 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.777 179.179 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -72.35 -33.51 67.33 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.292 178.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 18.9 p -73.79 -34.76 64.77 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.534 179.016 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.607 HG23 ' O ' ' A' ' 50' ' ' GLU . 87.7 t -73.63 -34.53 41.89 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.254 179.002 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 75.0 mttt -73.59 -35.02 65.35 Favored 'General case' 0 N--CA 1.471 0.583 0 O-C-N 123.354 0.409 . . . . 0.0 111.303 178.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -73.05 -34.13 66.1 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.292 178.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 18.2 p -73.48 -36.51 65.84 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.094 178.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.3 tt -70.61 -38.42 73.97 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.775 179.051 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.55 ' OE1' HD11 ' A' ' 62' ' ' ILE . 0.7 OUTLIER -69.6 -37.35 76.85 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.734 178.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.436 ' O ' ' HB2' ' A' ' 64' ' ' GLN . . . -69.85 -31.33 69.11 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.039 178.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.443 ' SD ' ' HD3' ' A' ' 17' ' ' LYS . 53.2 mmm -71.1 -44.55 65.43 Favored 'General case' 0 C--N 1.347 0.463 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.517 178.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.55 HD11 ' OE1' ' A' ' 59' ' ' GLN . 1.7 pt -75.56 -22.48 16.36 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 CA-C-N 116.177 -0.465 . . . . 0.0 112.023 179.539 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 2.7 tt -86.64 -26.1 24.54 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.149 179.341 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.436 ' HB2' ' O ' ' A' ' 60' ' ' ALA . 5.0 tt0 -88.21 -29.31 20.57 Favored 'General case' 0 N--CA 1.469 0.484 0 O-C-N 123.297 0.373 . . . . 0.0 111.578 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.482 ' HB3' ' NH1' ' A' ' 127' ' ' ARG . 18.5 mt -86.18 -30.02 22.77 Favored 'General case' 0 N--CA 1.469 0.52 0 N-CA-C 111.982 0.364 . . . . 0.0 111.982 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -94.08 118.75 67.21 Favored Pre-proline 0 CA--C 1.542 0.647 0 O-C-N 123.295 0.372 . . . . 0.0 110.893 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_exo -61.33 -22.94 75.97 Favored 'Trans proline' 0 C--N 1.376 2.013 0 C-N-CA 122.665 2.243 . . . . 0.0 113.697 179.597 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 18.9 p -93.61 135.64 34.68 Favored 'General case' 0 N--CA 1.468 0.427 0 O-C-N 123.349 0.405 . . . . 0.0 111.364 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 58.0 tttt -101.15 148.08 25.49 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.569 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -129.24 131.25 47.01 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.823 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -108.63 148.52 30.26 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.201 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -122.09 -115.28 2.31 Favored Glycine 0 C--N 1.338 0.641 0 CA-C-N 115.903 -0.59 . . . . 0.0 112.502 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -100.78 154.12 18.89 Favored 'General case' 0 C--O 1.234 0.283 0 O-C-N 123.63 0.253 . . . . 0.0 110.588 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -93.71 -39.22 10.89 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.647 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 16.6 t -96.41 147.6 23.65 Favored 'General case' 0 C--O 1.235 0.329 0 O-C-N 123.326 0.391 . . . . 0.0 110.793 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -110.51 126.24 54.18 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.206 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 37.0 p -131.98 142.16 49.52 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.694 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 90.7 m-85 -99.35 156.08 35.81 Favored Pre-proline 0 CA--C 1.539 0.536 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.013 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -76.83 158.81 34.95 Favored 'Trans proline' 0 C--N 1.375 1.958 0 C-N-CA 122.621 2.214 . . . . 0.0 112.748 179.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 6.8 t -137.59 123.21 19.79 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.937 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -100.57 146.7 26.8 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.228 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 146.21 152.52 5.66 Favored Glycine 0 C--N 1.338 0.661 0 CA-C-N 115.883 -0.599 . . . . 0.0 112.573 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -118.3 -42.23 2.8 Favored 'General case' 0 C--O 1.234 0.287 0 C-N-CA 122.36 0.264 . . . . 0.0 111.454 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -120.32 -41.98 2.59 Favored 'General case' 0 CA--C 1.534 0.34 0 O-C-N 123.379 0.425 . . . . 0.0 110.922 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 71.03 -50.49 0.68 Allowed 'General case' 0 N--CA 1.487 1.406 0 C-N-CA 124.479 1.112 . . . . 0.0 112.38 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 7.0 t -105.03 125.53 51.08 Favored 'General case' 0 N--CA 1.467 0.381 0 O-C-N 123.227 0.329 . . . . 0.0 111.029 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -129.72 139.06 51.43 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.872 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -114.37 -42.14 3.36 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.517 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 12.1 mt -109.13 131.42 55.09 Favored 'General case' 0 C--O 1.235 0.294 0 O-C-N 123.338 0.399 . . . . 0.0 110.976 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 3.7 m -137.19 157.13 74.93 Favored Pre-proline 0 CA--C 1.544 0.723 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.17 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_exo -76.14 -40.25 0.7 Allowed 'Trans proline' 0 C--N 1.375 1.951 0 C-N-CA 122.498 2.132 . . . . 0.0 112.909 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 34.3 ttt180 -134.06 151.51 51.44 Favored 'General case' 0 N--CA 1.466 0.34 0 O-C-N 123.402 0.439 . . . . 0.0 110.653 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -148.23 71.78 0.31 Allowed Glycine 0 C--N 1.338 0.694 0 CA-C-N 115.786 -0.643 . . . . 0.0 112.513 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 16.7 t -99.81 -43.52 6.4 Favored 'General case' 0 C--O 1.235 0.323 0 C-N-CA 122.266 0.226 . . . . 0.0 111.201 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -160.95 -153.26 6.91 Favored Glycine 0 C--N 1.342 0.876 0 O-C-N 123.404 0.44 . . . . 0.0 112.572 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 -129.67 145.39 51.52 Favored 'General case' 0 C--O 1.235 0.316 0 C-N-CA 122.364 0.265 . . . . 0.0 110.968 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -153.47 147.82 17.75 Favored Glycine 0 C--N 1.336 0.573 0 CA-C-N 115.892 -0.594 . . . . 0.0 112.472 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 58.9 mttp -129.21 135.4 48.77 Favored 'General case' 0 C--O 1.235 0.318 0 O-C-N 123.669 0.276 . . . . 0.0 110.986 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 17.7 m120 -132.46 -33.47 1.26 Allowed 'General case' 0 N--CA 1.468 0.425 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.415 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -93.18 -19.39 21.49 Favored 'General case' 0 N--CA 1.468 0.466 0 O-C-N 123.504 0.503 . . . . 0.0 112.1 -179.637 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -65.08 -36.04 83.04 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 112.908 0.707 . . . . 0.0 112.908 -179.311 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.452 ' H ' HD23 ' A' ' 102' ' ' LEU . 0.4 OUTLIER -86.39 -26.74 24.61 Favored 'General case' 0 N--CA 1.473 0.694 0 O-C-N 123.366 0.416 . . . . 0.0 111.888 179.851 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -72.27 -32.84 66.99 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 122.72 0.408 . . . . 0.0 111.852 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -64.71 -41.62 95.86 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 122.841 0.457 . . . . 0.0 111.824 179.569 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.447 ' O ' HD23 ' A' ' 109' ' ' LEU . 12.1 mptt -78.72 -33.35 46.82 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.581 179.81 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -71.57 -38.63 70.92 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.469 179.119 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . 0.442 ' OD2' ' HE3' ' A' ' 111' ' ' LYS . 2.6 t70 -75.87 -37.46 58.88 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.348 179.472 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 16.4 t -70.32 -39.17 74.92 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.072 179.358 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.447 HD23 ' O ' ' A' ' 105' ' ' LYS . 3.7 mm? -72.23 -36.46 69.12 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.109 179.332 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -68.94 -35.19 76.5 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.196 179.086 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.442 ' HE3' ' OD2' ' A' ' 107' ' ' ASP . 95.7 mttt -74.85 -31.34 61.62 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.896 178.849 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -73.5 -32.76 64.45 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.529 178.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.565 HD13 ' OE1' ' A' ' 29' ' ' GLU . 21.7 mt -78.98 -33.09 15.77 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 178.721 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -68.77 -37.65 79.49 Favored 'General case' 0 N--CA 1.472 0.665 0 O-C-N 123.344 0.402 . . . . 0.0 110.353 178.129 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 13.2 t80 -74.13 -35.74 64.13 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.886 178.404 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 7.7 tp -67.97 -34.83 77.3 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.671 178.64 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.517 ' O ' HG13 ' A' ' 120' ' ' ILE . 36.3 tttt -72.95 -39.25 66.36 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.762 179.326 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . 0.491 ' O ' ' HB2' ' A' ' 122' ' ' GLU . 18.0 m-20 -69.32 -29.26 67.05 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.209 177.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.569 ' O ' HG22 ' A' ' 123' ' ' VAL . 13.8 mt -72.62 -42.76 64.11 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.406 179.279 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . 0.517 HG13 ' O ' ' A' ' 117' ' ' LYS . 1.3 pp -70.15 -35.55 63.97 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 O-C-N 123.353 0.408 . . . . 0.0 111.034 178.856 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -73.07 -29.21 62.79 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.373 178.753 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . 0.491 ' HB2' ' O ' ' A' ' 118' ' ' ASP . 11.0 tt0 -75.79 -37.62 59.01 Favored 'General case' 0 C--N 1.348 0.515 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.354 179.778 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.569 HG22 ' O ' ' A' ' 119' ' ' LEU . 3.1 m -74.37 -33.16 32.91 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 O-C-N 123.3 0.375 . . . . 0.0 110.833 178.64 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . 0.405 HH21 ' HB3' ' A' ' 18' ' ' CYS . 47.3 mtt180 -70.57 -40.48 73.3 Favored 'General case' 0 C--N 1.348 0.512 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.254 178.348 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -74.44 -33.49 62.94 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 115.937 -0.574 . . . . 0.0 112.074 179.66 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -75.31 -43.53 50.38 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 116.071 -0.513 . . . . 0.0 112.318 -179.662 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . 0.482 ' NH1' ' HB3' ' A' ' 65' ' ' LEU . 18.9 ttt180 -117.41 130.82 56.73 Favored 'General case' 0 C--O 1.235 0.309 0 O-C-N 123.381 0.425 . . . . 0.0 110.787 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 149.28 134.43 2.35 Favored Glycine 0 C--N 1.336 0.562 0 CA-C-N 115.779 -0.646 . . . . 0.0 112.473 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -97.75 -40.96 8.3 Favored 'General case' 0 C--O 1.236 0.345 0 C-N-CA 122.317 0.247 . . . . 0.0 111.257 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 59.1 mttp -99.56 131.41 45.57 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.838 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 36.5 ttt180 -99.21 -42.76 6.89 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.916 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 3.8 m -97.41 158.42 33.18 Favored Pre-proline 0 CA--C 1.544 0.746 0 O-C-N 123.428 0.455 . . . . 0.0 111.278 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_exo . . . . . 0 C--N 1.376 1.976 0 C-N-CA 122.574 2.183 . . . . 0.0 112.783 179.848 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.205 0 CA-C-O 119.201 -0.777 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -75.79 141.57 24.58 Favored 'Trans proline' 0 C--N 1.37 1.674 0 C-N-CA 123.059 2.506 . . . . 0.0 112.805 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 27.3 m-90 -110.85 147.29 34.86 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.916 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -111.42 137.86 48.67 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.885 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -112.21 149.69 31.92 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.891 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -98.57 113.81 26.0 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.881 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 53.5 m -138.46 -42.09 0.5 Allowed 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.181 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 60.9 m80 -107.53 -35.11 6.83 Favored 'General case' 0 N--CA 1.466 0.345 0 O-C-N 123.434 0.459 . . . . 0.0 111.557 -179.754 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.432 ' H ' HG13 ' A' ' 9' ' ' ILE . 1.1 pp -91.37 89.56 3.02 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.516 0 CA-C-O 121.237 0.542 . . . . 0.0 111.717 -179.696 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.8 m -149.25 -34.73 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 CA-C-N 115.298 -0.865 . . . . 0.0 111.276 179.615 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 14.8 t -86.48 -12.84 47.82 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.763 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -97.36 -17.39 19.76 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.665 179.762 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -91.26 -22.04 20.79 Favored 'General case' 0 N--CA 1.47 0.536 0 O-C-N 123.37 0.419 . . . . 0.0 111.703 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.7 m -67.02 -39.04 82.51 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 N-CA-C 112.717 0.636 . . . . 0.0 112.717 -179.728 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -64.98 -41.4 97.33 Favored Glycine 0 C--N 1.342 0.91 0 O-C-N 123.459 0.474 . . . . 0.0 113.771 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -74.7 -34.66 62.67 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 122.521 0.329 . . . . 0.0 111.42 179.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -74.16 -33.87 63.63 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.919 179.118 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.404 ' HA ' HG22 ' A' ' 21' ' ' ILE . 38.0 t -72.24 -38.61 68.88 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.895 178.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -70.38 -37.24 74.5 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.488 179.138 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -71.91 -38.79 69.87 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.539 179.582 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.404 HG22 ' HA ' ' A' ' 18' ' ' CYS . 1.2 tt -71.85 -29.13 32.46 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.815 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.377 179.077 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -71.89 -41.36 55.63 Favored Glycine 0 C--N 1.349 1.269 0 CA-C-N 115.837 -0.62 . . . . 0.0 112.271 178.629 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 9.2 p -70.92 -32.09 47.51 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.873 0 CA-C-O 120.652 0.263 . . . . 0.0 110.547 178.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -70.54 -38.42 74.2 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 115.802 -0.636 . . . . 0.0 111.138 178.707 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.419 ' O ' ' HG3' ' A' ' 29' ' ' GLU . 21.5 mt -69.75 -38.47 76.82 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.543 179.414 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 13.3 mt -68.45 -38.36 81.07 Favored 'General case' 0 N--CA 1.471 0.601 0 O-C-N 123.271 0.357 . . . . 0.0 111.224 179.01 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 5.0 t-80 -69.45 -34.51 74.5 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.885 179.025 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.431 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 23.2 mt -74.76 -29.03 61.0 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.205 178.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.419 ' HG3' ' O ' ' A' ' 25' ' ' LEU . 40.9 mt-10 -71.18 -41.14 70.7 Favored 'General case' 0 C--N 1.348 0.509 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.755 178.856 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -69.73 -37.71 76.61 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.75 178.352 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -74.16 -24.24 59.37 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.137 178.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.476 ' O ' ' HB2' ' A' ' 36' ' ' MET . 3.3 tp -76.26 -40.41 51.94 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.695 179.255 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.453 ' O ' ' HD1' ' A' ' 37' ' ' TYR . 4.7 tp -70.3 -38.97 75.11 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.624 178.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -72.05 -34.07 61.95 Favored Glycine 0 C--N 1.343 0.97 0 CA-C-N 115.694 -0.685 . . . . 0.0 112.975 179.044 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -81.35 -23.3 37.84 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 112.271 0.471 . . . . 0.0 112.271 179.557 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.476 ' HB2' ' O ' ' A' ' 32' ' ' LEU . 7.9 ttt -83.2 -38.03 22.83 Favored 'General case' 0 N--CA 1.47 0.561 0 O-C-N 123.251 0.344 . . . . 0.0 111.767 -179.786 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.453 ' HD1' ' O ' ' A' ' 33' ' ' LEU . 34.7 m-85 -81.18 -35.93 30.8 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 112.271 0.471 . . . . 0.0 112.271 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 52.4 m -86.48 -20.24 28.37 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 112.1 0.407 . . . . 0.0 112.1 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 66.8 m80 62.01 112.23 0.02 OUTLIER 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 123.819 0.848 . . . . 0.0 111.859 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.4 ' CB ' HD12 ' A' ' 43' ' ' LEU . 3.4 t70 -140.4 176.18 8.99 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.54 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -120.36 -43.53 2.51 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.257 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.98 -36.19 81.64 Favored 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 112.942 0.719 . . . . 0.0 112.942 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.4 HD12 ' CB ' ' A' ' 40' ' ' ASP . 13.2 mt -69.63 -32.39 71.05 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 112.357 0.503 . . . . 0.0 112.357 -179.39 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -68.96 -32.09 71.43 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 122.419 0.287 . . . . 0.0 111.591 179.608 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -76.17 -40.95 51.23 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.235 178.612 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 16.7 t -69.1 -37.91 78.66 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.841 178.589 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 15.6 mt -70.74 -36.71 73.29 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.58 179.187 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -67.75 -40.82 84.07 Favored 'General case' 0 N--CA 1.472 0.63 0 O-C-N 123.515 0.509 . . . . 0.0 111.227 179.614 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -71.26 -36.63 63.53 Favored Glycine 0 C--N 1.342 0.887 0 CA-C-N 115.981 -0.554 . . . . 0.0 112.64 179.094 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.602 ' O ' HG23 ' A' ' 54' ' ' VAL . 42.5 mt-10 -71.8 -37.32 70.42 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 122.721 0.408 . . . . 0.0 111.177 179.344 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 20.5 mt -70.55 -34.82 72.67 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.103 179.138 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -71.74 -35.14 70.05 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.071 179.01 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 19.6 p -72.74 -35.05 67.43 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.716 179.226 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.602 HG23 ' O ' ' A' ' 50' ' ' GLU . 80.2 t -74.48 -33.89 34.23 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.279 178.863 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -71.93 -35.81 69.76 Favored 'General case' 0 N--CA 1.471 0.622 0 O-C-N 123.396 0.435 . . . . 0.0 111.216 179.116 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -72.83 -38.88 66.99 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.055 179.086 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 19.1 p -72.56 -31.2 65.07 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.024 178.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.449 ' HB2' ' O ' ' A' ' 54' ' ' VAL . 2.8 tt -71.87 -38.31 70.07 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.567 179.046 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -69.28 -38.61 78.43 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.881 178.755 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.9 -31.32 69.04 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.253 178.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 80.0 mtp -71.5 -41.72 68.93 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.577 179.187 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 2.1 pp -75.56 -26.58 18.35 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 O-C-N 123.379 0.424 . . . . 0.0 111.847 179.592 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.4 tp -83.1 -27.31 30.28 Favored 'General case' 0 CA--C 1.538 0.494 0 O-C-N 123.5 0.5 . . . . 0.0 111.269 179.442 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 -86.78 -30.63 21.42 Favored 'General case' 0 N--CA 1.468 0.47 0 O-C-N 123.346 0.404 . . . . 0.0 111.882 179.719 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 16.7 mt -92.85 -37.81 12.08 Favored 'General case' 0 N--CA 1.468 0.452 0 O-C-N 123.216 0.322 . . . . 0.0 111.492 -179.761 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -118.92 121.78 30.24 Favored Pre-proline 0 CA--C 1.54 0.593 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.96 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_exo -63.25 -36.08 59.25 Favored 'Trans proline' 0 C--N 1.375 1.969 0 C-N-CA 122.54 2.16 . . . . 0.0 113.239 179.425 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 40.9 p 52.16 108.48 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 124.4 1.08 . . . . 0.0 113.02 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -103.47 138.77 39.73 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.754 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -128.24 148.02 50.61 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.961 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -123.68 -42.82 2.17 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.434 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 145.63 55.22 0.02 OUTLIER Glycine 0 C--N 1.342 0.876 0 CA-C-N 116.225 -0.443 . . . . 0.0 112.577 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -129.83 145.4 51.58 Favored 'General case' 0 C--O 1.236 0.353 0 C-N-CA 122.367 0.267 . . . . 0.0 110.878 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -116.35 -42.79 2.99 Favored 'General case' 0 C--O 1.234 0.269 0 O-C-N 123.651 0.594 . . . . 0.0 111.431 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 50.1 m -127.43 131.98 50.16 Favored 'General case' 0 C--O 1.236 0.359 0 O-C-N 123.345 0.403 . . . . 0.0 110.977 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -126.77 -41.3 1.84 Allowed 'General case' 0 C--O 1.234 0.266 0 O-C-N 123.665 0.603 . . . . 0.0 111.634 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 51.9 m -98.0 -42.2 7.62 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.468 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 11.5 t80 -125.42 112.55 25.75 Favored Pre-proline 0 CA--C 1.544 0.738 0 O-C-N 123.337 0.398 . . . . 0.0 110.678 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_exo -66.29 147.45 83.29 Favored 'Trans proline' 0 C--N 1.375 1.968 0 C-N-CA 122.618 2.212 . . . . 0.0 112.855 179.477 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 18.6 p -137.35 129.4 29.16 Favored 'General case' 0 C--O 1.236 0.389 0 O-C-N 123.631 0.582 . . . . 0.0 111.092 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -125.83 -42.56 1.9 Allowed 'General case' 0 C--O 1.236 0.355 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.366 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 121.3 78.84 0.51 Allowed Glycine 0 C--N 1.338 0.691 0 O-C-N 123.422 0.451 . . . . 0.0 112.44 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -125.86 139.84 53.15 Favored 'General case' 0 C--O 1.234 0.259 0 O-C-N 123.602 0.236 . . . . 0.0 111.071 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 54.7 mt-30 -101.25 132.73 46.62 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.856 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -128.65 145.88 51.03 Favored 'General case' 0 N--CA 1.465 0.307 0 O-C-N 123.684 0.615 . . . . 0.0 110.897 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 18.8 p -125.72 141.35 52.05 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.032 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -116.44 130.8 56.96 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.881 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . 62.52 125.26 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 123.902 0.881 . . . . 0.0 112.28 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 5.8 mp -116.93 128.74 55.52 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 115.778 -0.647 . . . . 0.0 110.795 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 4.0 m -140.5 158.22 66.56 Favored Pre-proline 0 CA--C 1.546 0.79 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.281 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_exo -75.54 155.77 40.53 Favored 'Trans proline' 0 C--N 1.376 2.02 0 C-N-CA 122.532 2.155 . . . . 0.0 112.757 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 -129.5 131.04 46.56 Favored 'General case' 0 C--O 1.235 0.313 0 O-C-N 123.663 0.602 . . . . 0.0 110.87 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -117.03 -61.1 0.31 Allowed Glycine 0 C--N 1.336 0.55 0 O-C-N 123.713 0.633 . . . . 0.0 112.465 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 39.1 p -114.1 138.77 49.98 Favored 'General case' 0 C--O 1.236 0.387 0 O-C-N 123.641 0.259 . . . . 0.0 110.929 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 152.0 130.92 1.66 Allowed Glycine 0 C--N 1.336 0.564 0 CA-C-N 115.942 -0.572 . . . . 0.0 112.524 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 32.8 p90 -128.63 -43.72 1.39 Allowed 'General case' 0 N--CA 1.466 0.355 0 O-C-N 123.615 0.244 . . . . 0.0 111.414 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -144.03 -151.66 5.49 Favored Glycine 0 C--N 1.339 0.72 0 CA-C-N 116.189 -0.46 . . . . 0.0 112.506 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 97.9 mttt 64.0 142.68 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 123.946 0.898 . . . . 0.0 112.225 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 43.1 m-80 63.68 15.4 8.93 Favored 'General case' 0 N--CA 1.488 1.442 0 C-N-CA 123.946 0.898 . . . . 0.0 112.617 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -122.53 -34.75 3.2 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.228 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -76.8 -29.63 56.09 Favored 'General case' 0 N--CA 1.47 0.551 0 O-C-N 123.52 0.512 . . . . 0.0 111.727 179.611 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 12.4 mt -82.95 -26.67 31.15 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.88 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -72.67 -34.82 67.49 Favored 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 112.165 0.431 . . . . 0.0 112.165 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -64.78 -44.24 90.64 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 122.807 0.443 . . . . 0.0 111.729 179.691 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.503 ' O ' HD23 ' A' ' 109' ' ' LEU . 58.7 mttp -75.84 -33.95 60.07 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.381 179.76 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -71.59 -34.93 70.32 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.573 179.182 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -75.88 -38.17 58.14 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.409 179.663 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 51.4 m -68.82 -40.63 79.41 Favored 'General case' 0 N--CA 1.471 0.603 0 O-C-N 123.3 0.375 . . . . 0.0 111.433 179.425 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.503 HD23 ' O ' ' A' ' 105' ' ' LYS . 4.3 mm? -73.02 -36.32 66.95 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.316 179.34 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.414 ' O ' ' HG3' ' A' ' 114' ' ' GLN . . . -68.46 -34.8 76.59 Favored 'General case' 0 N--CA 1.471 0.582 0 O-C-N 123.393 0.433 . . . . 0.0 111.294 179.27 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.476 ' O ' ' HD1' ' A' ' 115' ' ' TYR . 21.7 mmtp -73.36 -35.95 66.05 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.795 178.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.48 ' O ' ' HB2' ' A' ' 116' ' ' LEU . 44.5 mt-10 -70.5 -31.2 68.2 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.288 178.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 29.0 mt -77.97 -32.89 17.84 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 178.435 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . 0.414 ' HG3' ' O ' ' A' ' 110' ' ' ALA . 53.1 mt-30 -67.24 -39.61 86.21 Favored 'General case' 0 N--CA 1.472 0.637 0 O-C-N 123.382 0.426 . . . . 0.0 110.82 178.556 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . 0.476 ' HD1' ' O ' ' A' ' 111' ' ' LYS . 23.4 m-85 -74.31 -35.82 63.68 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.03 178.139 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.628 ' O ' HG12 ' A' ' 120' ' ' ILE . 4.8 tp -68.05 -40.06 82.88 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 115.305 -0.861 . . . . 0.0 110.708 178.801 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -71.16 -33.46 70.03 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.813 179.027 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -68.67 -34.55 75.87 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.68 178.203 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 12.5 mt -72.03 -36.78 69.77 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.3 179.017 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . 0.628 HG12 ' O ' ' A' ' 116' ' ' LEU . 46.6 mm -69.67 -35.52 66.14 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 O-C-N 123.398 0.436 . . . . 0.0 110.18 178.384 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -72.89 -32.2 65.2 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.367 179.117 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -75.5 -33.02 60.73 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.557 179.468 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 10.0 p -76.93 -34.43 22.25 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.775 0 O-C-N 123.327 0.392 . . . . 0.0 110.45 178.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -71.06 -38.03 72.49 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.153 178.453 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 53.8 tttt -74.03 -38.24 64.09 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.637 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -75.29 -41.8 56.25 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 116.152 -0.476 . . . . 0.0 112.184 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 23.5 mtp180 -123.99 138.22 54.49 Favored 'General case' 0 C--O 1.236 0.366 0 O-C-N 123.31 0.381 . . . . 0.0 110.881 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 102.12 145.51 16.32 Favored Glycine 0 C--N 1.336 0.56 0 CA-C-N 115.885 -0.598 . . . . 0.0 112.386 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -99.56 129.73 45.74 Favored 'General case' 0 C--O 1.235 0.333 0 C-N-CA 122.335 0.254 . . . . 0.0 110.86 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -102.18 130.67 48.89 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.853 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 62.97 125.19 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.303 0 C-N-CA 123.881 0.872 . . . . 0.0 112.054 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 3.9 m -120.69 158.78 50.91 Favored Pre-proline 0 CA--C 1.545 0.762 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.224 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 6.6 Cg_exo . . . . . 0 C--N 1.376 2.013 0 C-N-CA 122.62 2.214 . . . . 0.0 112.721 179.938 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.145 0 CA-C-O 119.237 -0.757 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 4.7 Cg_exo -76.06 135.94 17.76 Favored 'Trans proline' 0 C--N 1.371 1.736 0 C-N-CA 123.073 2.515 . . . . 0.0 112.798 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 31.2 m-90 -101.9 140.14 36.59 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.728 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 54.4 tttt -101.77 138.69 38.42 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.423 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -101.46 129.85 47.59 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.594 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -112.83 124.39 52.47 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.776 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 52.7 m -135.19 -41.99 0.72 Allowed 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.465 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 67.5 m-70 -126.67 -30.65 2.77 Favored 'General case' 0 N--CA 1.467 0.417 0 O-C-N 123.42 0.45 . . . . 0.0 111.826 -179.615 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.413 ' H ' HG13 ' A' ' 9' ' ' ILE . 1.1 pp -87.71 89.94 3.19 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.566 0 CA-C-O 121.191 0.52 . . . . 0.0 111.7 -179.768 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.6 m -149.83 -37.51 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 CA-C-N 115.313 -0.858 . . . . 0.0 111.27 179.756 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 14.9 t -89.54 -15.25 33.34 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.738 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -96.65 -14.45 22.12 Favored 'General case' 0 C--O 1.236 0.37 0 O-C-N 123.239 0.337 . . . . 0.0 111.826 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -93.04 -22.28 19.23 Favored 'General case' 0 N--CA 1.468 0.468 0 O-C-N 123.355 0.409 . . . . 0.0 111.848 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.7 m -66.04 -39.81 85.53 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.951 0 N-CA-C 112.789 0.663 . . . . 0.0 112.789 -179.648 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -70.68 -40.53 65.76 Favored Glycine 0 C--N 1.343 0.943 0 CA-C-N 116.185 -0.461 . . . . 0.0 113.389 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -73.58 -35.3 65.42 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 122.61 0.364 . . . . 0.0 111.581 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.669 ' O ' HG12 ' A' ' 21' ' ' ILE . 92.5 mttt -71.76 -36.62 70.44 Favored 'General case' 0 N--CA 1.469 0.521 0 O-C-N 123.476 0.485 . . . . 0.0 111.225 179.328 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 89.4 m -72.08 -36.86 69.63 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.008 179.099 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.559 ' O ' HG22 ' A' ' 23' ' ' VAL . 41.6 mt-10 -70.03 -34.3 73.09 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.464 178.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.81 -41.19 65.16 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.789 179.608 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.669 HG12 ' O ' ' A' ' 17' ' ' LYS . 32.2 mm -72.4 -27.19 25.63 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 N-CA-C 109.811 -0.441 . . . . 0.0 109.811 178.727 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -70.34 -44.95 57.48 Favored Glycine 0 C--N 1.348 1.25 0 O-C-N 123.594 0.559 . . . . 0.0 112.34 178.557 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.559 HG22 ' O ' ' A' ' 19' ' ' GLU . 3.1 m -71.31 -33.04 49.0 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 CA-C-O 120.665 0.269 . . . . 0.0 111.254 179.018 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.456 ' O ' ' HB2' ' A' ' 28' ' ' LEU . 96.6 mttt -73.57 -33.48 64.68 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.911 178.735 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.46 ' HB2' ' O ' ' A' ' 21' ' ' ILE . 4.8 tp -69.78 -40.64 75.92 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.9 178.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.6 mt -68.9 -40.47 79.11 Favored 'General case' 0 N--CA 1.473 0.686 0 O-C-N 123.392 0.433 . . . . 0.0 110.995 179.104 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 5.0 t-80 -70.11 -31.59 69.22 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.623 178.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.488 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 3.6 tp -74.86 -29.25 60.97 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.775 178.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.432 ' HG3' ' O ' ' A' ' 25' ' ' LEU . 41.2 mt-10 -72.74 -41.11 65.49 Favored 'General case' 0 N--CA 1.47 0.56 0 O-C-N 123.471 0.482 . . . . 0.0 110.829 178.823 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -69.35 -37.47 77.67 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.596 178.533 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -74.21 -26.2 60.12 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.965 178.581 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.488 ' HB2' ' O ' ' A' ' 28' ' ' LEU . 3.3 tt -72.49 -40.82 66.6 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.68 179.163 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.434 ' O ' ' HD2' ' A' ' 37' ' ' TYR . 4.9 tp -70.67 -39.9 73.28 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.439 178.831 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -72.04 -26.88 71.42 Favored Glycine 0 C--N 1.343 0.924 0 CA-C-N 115.713 -0.676 . . . . 0.0 112.949 178.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -81.15 -33.07 33.39 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 122.68 0.392 . . . . 0.0 111.993 179.572 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 47.8 mtt -79.91 -33.45 39.81 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 112.286 0.476 . . . . 0.0 112.286 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.434 ' HD2' ' O ' ' A' ' 33' ' ' LEU . 24.4 m-85 -81.17 -41.6 22.13 Favored 'General case' 0 N--CA 1.472 0.635 0 O-C-N 123.291 0.369 . . . . 0.0 111.886 179.719 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 14.1 t -86.81 -18.4 31.1 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.82 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 72.5 m-70 62.62 113.67 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 123.889 0.876 . . . . 0.0 111.876 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -140.97 167.96 20.93 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.88 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -114.95 -41.38 3.36 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.382 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.95 -30.56 70.72 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 112.826 0.676 . . . . 0.0 112.826 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.472 ' O ' ' HB2' ' A' ' 47' ' ' LEU . 3.6 mt -69.95 -28.48 65.6 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 112.594 0.591 . . . . 0.0 112.594 -179.675 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 45.3 m-85 -74.24 -35.79 63.86 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 122.41 0.284 . . . . 0.0 111.517 179.287 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 13.7 tt0 -72.14 -41.65 66.91 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.515 179.27 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 54.2 m -69.1 -33.71 73.93 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.052 178.675 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.472 ' HB2' ' O ' ' A' ' 43' ' ' LEU . 2.2 tt -70.75 -36.23 73.02 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.128 179.244 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 54.3 mt-30 -71.42 -38.98 71.37 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.403 179.513 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -71.32 -36.38 63.37 Favored Glycine 0 C--N 1.344 0.981 0 CA-C-N 116.059 -0.519 . . . . 0.0 112.62 179.181 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.554 ' O ' HG23 ' A' ' 54' ' ' VAL . 42.2 mt-10 -72.03 -35.97 69.52 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 122.717 0.407 . . . . 0.0 111.093 179.247 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.8 tp -71.32 -34.98 71.05 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.79 179.2 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 54.1 mt-30 -72.97 -33.01 65.6 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.22 178.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 19.6 p -74.52 -34.59 63.06 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.494 179.12 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.554 HG23 ' O ' ' A' ' 50' ' ' GLU . 97.3 t -74.83 -34.04 32.25 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 O-C-N 123.373 0.421 . . . . 0.0 110.271 178.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -72.69 -36.71 67.93 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.238 179.081 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -73.12 -36.01 66.64 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.259 179.07 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 18.4 p -74.06 -33.23 63.62 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.09 178.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.7 tp -71.85 -39.39 69.75 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.523 179.236 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.417 ' O ' HG13 ' A' ' 62' ' ' ILE . 47.1 mt-30 -69.76 -37.83 76.54 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.993 178.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.98 -31.04 68.53 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 115.723 -0.672 . . . . 0.0 111.236 178.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.524 ' O ' ' HB2' ' A' ' 65' ' ' LEU . 4.6 tmm? -72.1 -43.72 64.33 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.994 179.223 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.417 HG13 ' O ' ' A' ' 59' ' ' GLN . 1.4 pt -75.31 -22.64 16.7 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 O-C-N 123.355 0.409 . . . . 0.0 111.644 179.247 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.4 ' HB2' ' O ' ' A' ' 59' ' ' GLN . 4.9 tp -80.66 -32.78 35.98 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.47 178.821 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -88.82 -17.35 29.91 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.082 178.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.524 ' HB2' ' O ' ' A' ' 61' ' ' MET . 2.8 tt -76.19 -36.91 58.43 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 122.969 0.508 . . . . 0.0 111.455 179.506 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -95.92 158.39 34.28 Favored Pre-proline 0 CA--C 1.541 0.609 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.888 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_exo -73.57 135.53 22.14 Favored 'Trans proline' 0 C--N 1.376 1.979 0 C-N-CA 122.522 2.148 . . . . 0.0 112.779 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 7.3 t -138.84 149.14 44.58 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 115.822 -0.627 . . . . 0.0 111.089 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -124.27 135.08 53.13 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.915 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -128.01 146.63 50.61 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.599 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -99.88 132.01 45.5 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.026 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 106.06 117.37 4.28 Favored Glycine 0 C--N 1.337 0.601 0 CA-C-N 115.868 -0.606 . . . . 0.0 112.52 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -120.24 131.35 54.91 Favored 'General case' 0 C--O 1.235 0.331 0 O-C-N 123.608 0.24 . . . . 0.0 110.786 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -111.28 138.53 47.63 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.037 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 53.7 m -99.64 -42.23 6.97 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.291 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -119.53 138.56 53.1 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.025 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 51.7 m -115.92 130.19 56.72 Favored 'General case' 0 C--O 1.235 0.303 0 O-C-N 123.601 0.563 . . . . 0.0 110.941 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 91.1 m-85 -129.86 157.73 75.91 Favored Pre-proline 0 CA--C 1.539 0.557 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.759 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -74.73 126.29 10.04 Favored 'Trans proline' 0 C--N 1.376 1.974 0 C-N-CA 122.513 2.142 . . . . 0.0 112.738 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 18.5 p -141.59 -48.11 0.38 Allowed 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.239 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -129.05 148.93 51.05 Favored 'General case' 0 C--O 1.234 0.288 0 O-C-N 123.447 0.467 . . . . 0.0 111.156 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -109.21 -63.34 0.54 Allowed Glycine 0 C--N 1.336 0.582 0 O-C-N 123.677 0.611 . . . . 0.0 112.473 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -125.92 148.93 49.09 Favored 'General case' 0 C--O 1.236 0.374 0 O-C-N 123.663 0.273 . . . . 0.0 111.039 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -98.46 141.0 31.87 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.953 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -102.6 147.13 27.17 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.931 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 7.5 t -136.21 152.59 50.93 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.103 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -99.71 138.66 36.49 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.818 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . 61.5 120.08 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 123.916 0.886 . . . . 0.0 112.313 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 11.8 mt -132.17 143.54 50.04 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.792 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 3.1 m -125.96 93.93 42.85 Favored Pre-proline 0 CA--C 1.548 0.866 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.308 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_exo -72.14 -36.87 5.22 Favored 'Trans proline' 0 C--N 1.372 1.805 0 C-N-CA 122.652 2.234 . . . . 0.0 113.051 179.559 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 62.97 127.08 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 123.941 0.896 . . . . 0.0 112.012 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 159.72 61.1 0.01 OUTLIER Glycine 0 C--N 1.338 0.69 0 CA-C-N 115.806 -0.633 . . . . 0.0 112.468 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 53.1 m -107.15 144.53 33.75 Favored 'General case' 0 C--O 1.234 0.265 0 C-N-CA 122.319 0.247 . . . . 0.0 110.866 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -157.41 75.35 0.21 Allowed Glycine 0 C--N 1.337 0.632 0 CA-C-N 115.776 -0.647 . . . . 0.0 112.527 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -106.11 132.53 52.07 Favored 'General case' 0 C--O 1.236 0.386 0 O-C-N 123.608 0.24 . . . . 0.0 110.932 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 100.18 -154.87 19.52 Favored Glycine 0 C--N 1.337 0.62 0 O-C-N 123.63 0.581 . . . . 0.0 112.669 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 59.0 mttp -124.05 -42.15 2.17 Favored 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 122.303 0.241 . . . . 0.0 111.157 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 42.0 m-80 -98.21 155.5 17.14 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.928 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 71.13 -28.04 0.18 Allowed 'General case' 0 N--CA 1.49 1.539 0 C-N-CA 124.347 1.059 . . . . 0.0 112.809 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -76.97 -30.42 55.97 Favored 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 112.211 0.449 . . . . 0.0 112.211 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 13.1 mt -86.28 -30.23 22.45 Favored 'General case' 0 N--CA 1.471 0.622 0 O-C-N 123.425 0.453 . . . . 0.0 111.597 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -74.14 -39.78 63.07 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 122.675 0.39 . . . . 0.0 111.723 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -64.68 -39.12 93.13 Favored 'General case' 0 N--CA 1.474 0.742 0 O-C-N 123.421 0.451 . . . . 0.0 111.659 179.507 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -76.11 -35.86 59.13 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.544 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -71.41 -38.29 71.45 Favored 'General case' 0 N--CA 1.47 0.552 0 O-C-N 123.473 0.483 . . . . 0.0 111.561 179.495 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -75.65 -33.46 60.46 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.624 179.384 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 57.9 m -71.66 -39.16 70.51 Favored 'General case' 0 N--CA 1.47 0.558 0 O-C-N 123.188 0.305 . . . . 0.0 111.227 179.306 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 21.7 mt -72.82 -37.59 67.44 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.206 179.344 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -69.47 -34.71 74.77 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.392 179.195 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.462 ' O ' ' HD2' ' A' ' 115' ' ' TYR . 93.4 mttt -74.99 -32.24 61.62 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.902 179.018 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -73.25 -32.7 64.87 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.404 178.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 27.1 mt -78.62 -33.01 16.5 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 178.575 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -69.59 -36.69 76.46 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.809 178.565 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . 0.462 ' HD2' ' O ' ' A' ' 111' ' ' LYS . 9.5 m-85 -75.55 -35.89 60.56 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.25 177.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 9.8 tp -70.34 -39.46 74.68 Favored 'General case' 0 C--O 1.239 0.529 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.913 179.107 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 92.5 mttt -72.38 -36.07 68.62 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.806 179.181 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -69.26 -33.55 73.41 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.067 178.715 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.576 ' O ' HG23 ' A' ' 123' ' ' VAL . 17.7 mt -70.82 -43.71 68.02 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.381 179.549 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . 0.457 ' O ' ' HB2' ' A' ' 124' ' ' ARG . 1.9 pp -70.59 -30.75 43.78 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 O-C-N 123.222 0.326 . . . . 0.0 111.29 179.174 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -73.22 -33.06 65.13 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.452 178.593 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -73.78 -39.02 64.48 Favored 'General case' 0 N--CA 1.472 0.671 0 O-C-N 123.389 0.43 . . . . 0.0 111.501 179.64 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.576 HG23 ' O ' ' A' ' 119' ' ' LEU . 22.2 t -73.7 -34.74 42.01 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 CA-C-N 116.327 -0.397 . . . . 0.0 109.979 178.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . 0.457 ' HB2' ' O ' ' A' ' 120' ' ' ILE . 38.7 ttt180 -70.95 -40.39 72.04 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.203 179.048 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -74.2 -30.25 62.12 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.95 179.614 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -75.09 -41.03 59.56 Favored 'General case' 0 N--CA 1.47 0.538 0 O-C-N 123.419 0.449 . . . . 0.0 112.089 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 33.3 ttt180 -119.84 128.4 53.64 Favored 'General case' 0 C--O 1.234 0.269 0 O-C-N 123.333 0.396 . . . . 0.0 110.637 179.767 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 167.55 144.63 4.21 Favored Glycine 0 C--N 1.337 0.594 0 CA-C-N 115.778 -0.647 . . . . 0.0 112.42 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -103.6 145.25 30.33 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 120.63 0.252 . . . . 0.0 110.87 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -129.48 131.12 46.61 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.787 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 76.5 mtp180 -107.53 128.4 54.48 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.995 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . 0.636 ' H ' ' HD3' ' A' ' 133' ' ' PRO . 3.6 m -115.55 -31.8 0.1 OUTLIER Pre-proline 0 CA--C 1.553 1.087 0 CA-C-O 118.13 -0.938 . . . . 0.0 113.333 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . 0.636 ' HD3' ' H ' ' A' ' 132' ' ' VAL . 2.9 Cg_exo . . . . . 0 C--N 1.382 2.325 0 C-N-CA 122.058 1.839 . . . . 0.0 112.743 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.237 0 CA-C-O 119.216 -0.769 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.469 ' HB2' ' CE3' ' A' ' 3' ' ' TRP . 5.3 Cg_exo -75.57 -36.04 2.44 Favored 'Trans proline' 0 C--N 1.369 1.609 0 C-N-CA 123.052 2.501 . . . . 0.0 113.077 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 0.469 ' CE3' ' HB2' ' A' ' 2' ' ' PRO . 30.5 m-90 -115.48 131.76 56.83 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.904 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 29.5 tttp -113.66 135.47 53.89 Favored 'General case' 0 C--O 1.234 0.285 0 O-C-N 123.611 0.57 . . . . 0.0 110.593 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -112.5 124.6 52.87 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.088 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 56.67 104.2 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 123.881 0.872 . . . . 0.0 112.224 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 49.2 m -135.85 -44.84 0.66 Allowed 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.734 179.608 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 62.6 m80 -126.66 96.91 4.81 Favored 'General case' 0 C--O 1.238 0.464 0 CA-C-O 121.18 0.514 . . . . 0.0 110.302 179.439 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.2 pp -143.05 2.05 0.36 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.544 0 CA-C-N 115.392 -0.822 . . . . 0.0 111.763 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 10.0 m -89.7 50.35 0.1 OUTLIER 'Isoleucine or valine' 0 CA--C 1.542 0.671 0 CA-C-O 121.219 0.533 . . . . 0.0 111.185 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 15.2 t -128.07 -39.64 1.73 Allowed 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.4 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -92.71 -21.97 19.67 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 116.27 -0.423 . . . . 0.0 112.095 -179.741 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -91.55 -22.41 20.36 Favored 'General case' 0 N--CA 1.468 0.438 0 O-C-N 123.267 0.354 . . . . 0.0 111.865 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.0 m -77.49 -40.84 29.02 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 N-CA-C 112.367 0.506 . . . . 0.0 112.367 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.539 ' O ' ' HB2' ' A' ' 19' ' ' GLU . . . -68.77 -36.82 83.28 Favored Glycine 0 C--N 1.342 0.874 0 CA-C-N 116.187 -0.46 . . . . 0.0 113.847 -179.512 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -75.26 -39.59 59.66 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 122.468 0.307 . . . . 0.0 111.665 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.663 ' O ' HG12 ' A' ' 21' ' ' ILE . 66.6 mttm -71.24 -37.94 71.97 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.18 179.574 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 99.5 m -72.51 -33.11 66.68 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.665 178.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.563 ' O ' HG22 ' A' ' 23' ' ' VAL . 9.0 tt0 -69.93 -33.88 72.73 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.717 178.59 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.15 -39.97 68.37 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.475 178.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.663 HG12 ' O ' ' A' ' 17' ' ' LYS . 33.5 mm -71.94 -27.37 27.29 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.98 178.563 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.35 -44.38 42.71 Favored Glycine 0 C--N 1.346 1.087 0 CA-C-N 116.09 -0.504 . . . . 0.0 112.576 178.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.563 HG22 ' O ' ' A' ' 19' ' ' GLU . 3.0 m -71.16 -34.02 53.19 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 CA-C-O 120.652 0.263 . . . . 0.0 111.295 179.22 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.417 ' O ' ' HB2' ' A' ' 28' ' ' LEU . 96.8 mttt -72.62 -33.51 66.7 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.86 178.816 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.451 ' HB2' ' O ' ' A' ' 21' ' ' ILE . 4.5 tp -70.11 -39.96 75.17 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 123.01 0.524 . . . . 0.0 111.084 179.162 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.9 mt -69.32 -41.01 77.27 Favored 'General case' 0 N--CA 1.473 0.699 0 O-C-N 123.396 0.435 . . . . 0.0 111.334 179.351 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 18.0 m-70 -70.91 -31.48 68.12 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.213 178.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.519 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 4.6 tp -74.83 -31.75 61.75 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.968 179.152 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -72.4 -40.74 66.97 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.943 179.16 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -69.7 -38.25 76.89 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.378 178.673 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -74.2 -24.38 59.34 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.215 178.713 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.534 ' O ' ' HB2' ' A' ' 36' ' ' MET . 2.4 tt -75.64 -39.67 57.42 Favored 'General case' 0 N--CA 1.471 0.599 0 O-C-N 123.49 0.494 . . . . 0.0 110.663 179.214 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.456 ' O ' ' HD1' ' A' ' 37' ' ' TYR . 5.6 tp -70.36 -40.75 73.87 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.39 178.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -70.27 -33.44 68.8 Favored Glycine 0 C--N 1.342 0.904 0 CA-C-N 115.616 -0.72 . . . . 0.0 112.663 179.112 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -81.3 -23.3 37.97 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 122.607 0.363 . . . . 0.0 111.725 179.274 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.534 ' HB2' ' O ' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -80.01 -34.89 38.05 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.759 179.853 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.456 ' HD1' ' O ' ' A' ' 33' ' ' LEU . 20.6 m-85 -79.51 -36.81 37.97 Favored 'General case' 0 N--CA 1.471 0.618 0 O-C-N 123.489 0.493 . . . . 0.0 112.055 179.722 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 80.4 p -86.49 -26.24 24.71 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 112.066 0.395 . . . . 0.0 112.066 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 71.3 m-70 63.79 111.64 0.03 OUTLIER 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 123.898 0.879 . . . . 0.0 111.789 -179.645 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -140.3 165.01 28.55 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.863 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -102.57 -40.71 6.53 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.553 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.78 -35.04 79.16 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 112.837 0.68 . . . . 0.0 112.837 -179.644 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.439 ' O ' ' HB2' ' A' ' 47' ' ' LEU . 4.0 mt -69.95 -28.43 65.56 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 112.371 0.508 . . . . 0.0 112.371 -179.607 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -73.78 -34.76 64.81 Favored 'General case' 0 N--CA 1.472 0.646 0 O-C-N 123.256 0.348 . . . . 0.0 111.421 179.165 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -72.54 -41.72 65.5 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.541 179.075 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 16.9 t -69.13 -32.27 71.53 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.744 178.414 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.439 ' HB2' ' O ' ' A' ' 43' ' ' LEU . 5.1 tp -70.65 -37.01 73.68 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.099 179.019 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 11.9 mm100 -71.17 -38.09 72.17 Favored 'General case' 0 N--CA 1.473 0.68 0 O-C-N 123.67 0.606 . . . . 0.0 111.354 179.376 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -71.53 -36.03 62.7 Favored Glycine 0 C--N 1.345 1.034 0 CA-C-N 115.936 -0.575 . . . . 0.0 112.718 179.044 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.592 ' O ' HG23 ' A' ' 54' ' ' VAL . 42.4 mt-10 -72.43 -35.86 68.44 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 122.734 0.414 . . . . 0.0 111.063 179.216 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.9 tt -70.4 -37.22 74.45 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.616 179.126 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -72.59 -31.28 65.08 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.119 179.032 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 17.5 p -75.03 -33.78 61.81 Favored 'General case' 0 N--CA 1.471 0.597 0 O-C-N 123.47 0.481 . . . . 0.0 111.51 179.047 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.592 HG23 ' O ' ' A' ' 50' ' ' GLU . 84.2 t -74.49 -35.01 37.38 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 O-C-N 123.333 0.396 . . . . 0.0 110.318 179.059 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 83.0 mttt -72.69 -37.21 67.94 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.282 178.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -72.89 -33.29 65.94 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.265 179.156 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 12.9 p -74.71 -33.95 62.49 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.094 178.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.8 tt -70.61 -39.39 73.79 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.413 179.027 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.506 ' O ' HG13 ' A' ' 62' ' ' ILE . 46.7 mt-30 -69.53 -38.2 77.42 Favored 'General case' 0 C--N 1.348 0.541 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.675 178.635 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.83 -28.56 65.8 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.245 178.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.52 ' O ' ' HB2' ' A' ' 65' ' ' LEU . 74.1 mtp -73.18 -43.11 61.93 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.281 178.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.506 HG13 ' O ' ' A' ' 59' ' ' GLN . 0.8 OUTLIER -74.1 -26.53 21.03 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 CA-C-N 116.131 -0.486 . . . . 0.0 112.006 179.805 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 22.8 mt -84.7 -28.83 26.07 Favored 'General case' 0 N--CA 1.468 0.459 0 O-C-N 123.355 0.409 . . . . 0.0 111.44 179.053 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -92.43 -14.2 28.92 Favored 'General case' 0 CA--C 1.536 0.431 0 O-C-N 123.378 0.424 . . . . 0.0 111.466 179.488 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.52 ' HB2' ' O ' ' A' ' 61' ' ' MET . 1.9 tt -66.26 -39.73 89.65 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 122.683 0.393 . . . . 0.0 111.645 179.751 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 -106.82 104.57 52.04 Favored Pre-proline 0 CA--C 1.543 0.678 0 O-C-N 123.466 0.479 . . . . 0.0 110.493 179.614 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_exo -67.24 -39.2 13.61 Favored 'Trans proline' 0 C--N 1.374 1.912 0 C-N-CA 122.567 2.178 . . . . 0.0 113.467 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 17.8 p -141.43 151.54 43.51 Favored 'General case' 0 N--CA 1.466 0.366 0 O-C-N 123.265 0.353 . . . . 0.0 111.312 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.62 ' HZ1' ' HD2' ' A' ' 130' ' ' LYS . 96.9 mttt -130.76 130.52 43.85 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.685 179.703 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -105.29 129.66 53.59 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.017 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . 69.64 -54.31 0.6 Allowed 'General case' 0 N--CA 1.485 1.321 0 C-N-CA 124.454 1.102 . . . . 0.0 112.623 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 98.93 147.01 21.4 Favored Glycine 0 C--N 1.34 0.786 0 C-N-CA 121.46 -0.4 . . . . 0.0 112.498 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -112.44 137.39 50.7 Favored 'General case' 0 C--O 1.236 0.354 0 O-C-N 123.622 0.248 . . . . 0.0 110.959 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -126.45 146.89 49.91 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.027 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 40.5 p -100.39 130.04 46.44 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.029 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -126.73 146.04 50.37 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.108 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 51.8 m -128.12 139.11 52.68 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.995 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 82.3 m-85 -99.85 -44.4 0.22 Allowed Pre-proline 0 CA--C 1.544 0.715 0 CA-C-O 118.636 -0.697 . . . . 0.0 112.279 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo -76.7 152.54 33.15 Favored 'Trans proline' 0 C--N 1.38 2.23 0 C-N-CA 122.362 2.041 . . . . 0.0 112.78 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 18.7 p -138.0 124.7 20.99 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.033 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -126.01 141.74 51.83 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.101 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -130.68 54.53 0.79 Allowed Glycine 0 C--N 1.339 0.702 0 CA-C-N 115.864 -0.607 . . . . 0.0 112.587 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -127.74 138.23 52.7 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 120.649 0.261 . . . . 0.0 111.015 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 -128.92 129.0 44.92 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.767 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -130.61 141.45 50.44 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.837 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 18.5 p -137.62 137.74 38.79 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.044 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -112.17 136.61 51.35 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.871 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . 61.16 118.34 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 123.928 0.891 . . . . 0.0 112.33 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 5.8 mp -132.21 -43.61 0.95 Allowed 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.192 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 3.3 m -139.45 105.52 7.09 Favored Pre-proline 0 CA--C 1.546 0.819 0 O-C-N 123.439 0.462 . . . . 0.0 111.233 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_exo -63.74 137.04 56.64 Favored 'Trans proline' 0 C--N 1.374 1.919 0 C-N-CA 122.675 2.25 . . . . 0.0 112.931 179.556 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -116.07 147.3 41.42 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.905 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 153.96 -152.94 24.47 Favored Glycine 0 C--N 1.336 0.563 0 CA-C-N 115.828 -0.624 . . . . 0.0 112.595 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 16.1 t -106.02 131.06 53.76 Favored 'General case' 0 C--O 1.235 0.315 0 C-N-CA 122.353 0.261 . . . . 0.0 110.735 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 145.21 137.62 3.16 Favored Glycine 0 C--N 1.338 0.655 0 CA-C-N 115.916 -0.583 . . . . 0.0 112.552 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 -99.89 131.21 46.0 Favored 'General case' 0 C--O 1.234 0.255 0 C-N-CA 122.378 0.271 . . . . 0.0 110.862 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 122.41 97.52 1.4 Allowed Glycine 0 C--N 1.338 0.64 0 CA-C-N 115.849 -0.614 . . . . 0.0 112.403 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -101.06 145.51 28.64 Favored 'General case' 0 N--CA 1.464 0.273 0 O-C-N 123.619 0.246 . . . . 0.0 110.808 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 44.1 m-80 -113.58 124.26 51.92 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.825 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -134.91 -38.58 0.79 Allowed 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.993 179.733 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -76.76 -29.67 56.21 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 116.015 -0.538 . . . . 0.0 111.51 179.41 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 19.4 mt -84.34 -26.39 28.5 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.856 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -70.31 -35.86 73.93 Favored 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 112.131 0.419 . . . . 0.0 112.131 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -64.51 -43.13 95.07 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 122.658 0.383 . . . . 0.0 111.762 179.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -75.91 -33.62 59.9 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.523 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -71.67 -37.95 70.7 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.589 179.341 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -75.82 -34.42 60.13 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.707 179.431 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 71.2 m -71.2 -40.37 71.22 Favored 'General case' 0 N--CA 1.471 0.615 0 O-C-N 123.211 0.32 . . . . 0.0 111.305 179.302 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 22.3 mt -73.73 -35.33 65.05 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.333 179.361 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -70.99 -33.91 70.86 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.423 179.295 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 62.5 mttm -76.1 -32.94 59.46 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.849 178.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.519 ' O ' ' HB2' ' A' ' 116' ' ' LEU . 42.0 mt-10 -73.87 -32.38 63.6 Favored 'General case' 0 N--CA 1.471 0.586 0 O-C-N 123.579 0.55 . . . . 0.0 111.739 178.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 34.3 mt -80.07 -33.2 14.27 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 O-C-N 123.368 0.418 . . . . 0.0 110.243 178.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -70.66 -36.15 73.22 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-O 120.84 0.352 . . . . 0.0 110.088 177.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 11.9 t80 -74.22 -35.45 63.89 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 115.338 -0.846 . . . . 0.0 109.728 178.261 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.519 ' HB2' ' O ' ' A' ' 112' ' ' GLU . 1.7 tt -67.48 -36.22 80.69 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.82 178.691 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -72.1 -39.64 68.77 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.007 179.232 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . 0.529 ' O ' ' HB2' ' A' ' 122' ' ' GLU . 9.1 m-20 -69.38 -29.38 67.14 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.355 178.274 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.567 ' O ' HG22 ' A' ' 123' ' ' VAL . 18.6 mt -73.12 -42.81 62.51 Favored 'General case' 0 N--CA 1.47 0.534 0 O-C-N 123.399 0.437 . . . . 0.0 111.3 179.425 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 2.2 pp -70.71 -36.4 64.87 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 O-C-N 123.374 0.421 . . . . 0.0 111.196 179.264 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -73.13 -29.4 62.86 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.375 179.111 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . 0.529 ' HB2' ' O ' ' A' ' 118' ' ' ASP . 10.4 tt0 -76.08 -36.81 58.81 Favored 'General case' 0 C--N 1.347 0.475 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.418 179.833 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.567 HG22 ' O ' ' A' ' 119' ' ' LEU . 3.9 m -75.27 -33.47 28.3 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 O-C-N 123.275 0.359 . . . . 0.0 110.942 178.659 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 74.3 mtp180 -70.95 -39.64 72.47 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.158 178.659 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -74.33 -39.21 62.98 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.83 179.464 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -75.47 -40.46 57.37 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 116.028 -0.533 . . . . 0.0 112.29 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 71.55 -48.56 0.68 Allowed 'General case' 0 N--CA 1.488 1.447 0 C-N-CA 124.427 1.091 . . . . 0.0 112.385 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -161.06 42.27 0.41 Allowed Glycine 0 C--N 1.34 0.794 0 C-N-CA 121.42 -0.419 . . . . 0.0 112.98 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -136.48 129.07 30.51 Favored 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 122.316 0.246 . . . . 0.0 110.695 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . 0.62 ' HD2' ' HZ1' ' A' ' 69' ' ' LYS . 94.5 mttt -103.61 148.09 26.43 Favored 'General case' 0 C--O 1.235 0.308 0 O-C-N 123.647 0.592 . . . . 0.0 111.05 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? -126.51 -46.42 1.6 Allowed 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.193 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . 0.621 ' H ' ' HD3' ' A' ' 133' ' ' PRO . 4.0 m -112.63 -32.02 0.12 Allowed Pre-proline 0 CA--C 1.553 1.095 0 N-CA-C 113.505 0.928 . . . . 0.0 113.505 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . 0.621 ' HD3' ' H ' ' A' ' 132' ' ' VAL . 2.8 Cg_exo . . . . . 0 C--N 1.383 2.382 0 C-N-CA 122.037 1.825 . . . . 0.0 112.856 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.207 0 CA-C-O 119.28 -0.733 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo -75.5 152.72 38.81 Favored 'Trans proline' 0 C--N 1.37 1.659 0 C-N-CA 122.978 2.452 . . . . 0.0 112.757 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 93.7 m95 -100.86 149.26 24.05 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.995 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 60.3 mttp 61.86 117.45 0.02 OUTLIER 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 123.904 0.882 . . . . 0.0 112.078 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -134.02 131.43 38.88 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.751 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -107.7 111.18 23.25 Favored 'General case' 0 C--O 1.238 0.457 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.864 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 52.4 m -134.73 -45.41 0.74 Allowed 'General case' 0 C--O 1.235 0.32 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.795 179.736 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -127.0 95.48 4.32 Favored 'General case' 0 C--O 1.239 0.515 0 CA-C-O 121.195 0.522 . . . . 0.0 109.963 179.406 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.1 pp -143.74 -2.31 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.531 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.873 -179.721 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 6.1 m -88.79 -10.53 10.63 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.697 0 CA-C-N 116.287 -0.415 . . . . 0.0 112.089 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 52.9 m -100.72 -26.14 13.89 Favored 'General case' 0 N--CA 1.466 0.353 0 O-C-N 123.418 0.449 . . . . 0.0 111.666 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -91.55 -23.24 19.98 Favored 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 112.211 0.448 . . . . 0.0 112.211 -179.604 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -86.2 -22.26 27.04 Favored 'General case' 0 N--CA 1.47 0.542 0 O-C-N 123.247 0.342 . . . . 0.0 111.888 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.8 m -77.17 -38.96 28.21 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 N-CA-C 112.416 0.524 . . . . 0.0 112.416 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -58.56 -35.31 79.84 Favored Glycine 0 C--N 1.342 0.907 0 CA-C-N 116.112 -0.495 . . . . 0.0 113.873 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -76.8 -31.91 57.28 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 122.471 0.308 . . . . 0.0 111.301 179.561 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -76.01 -34.13 59.7 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.023 179.207 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.508 ' O ' HG22 ' A' ' 21' ' ' ILE . 74.8 m -74.31 -38.41 63.34 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.754 178.796 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.59 ' O ' HG22 ' A' ' 23' ' ' VAL . 40.6 mt-10 -70.25 -36.1 74.25 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.233 178.732 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -73.83 -35.35 64.83 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.539 179.392 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.508 HG22 ' O ' ' A' ' 18' ' ' CYS . 1.1 tp -73.93 -28.21 23.64 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.831 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.402 178.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -73.82 -44.55 30.87 Favored Glycine 0 C--N 1.348 1.226 0 CA-C-N 115.664 -0.698 . . . . 0.0 112.511 178.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.59 HG22 ' O ' ' A' ' 19' ' ' GLU . 3.3 m -71.1 -33.28 50.72 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 CA-C-O 120.576 0.227 . . . . 0.0 111.105 179.085 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.47 ' O ' ' HB2' ' A' ' 28' ' ' LEU . 55.4 mttt -72.35 -34.7 68.2 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.075 178.626 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.475 ' HB2' ' O ' ' A' ' 21' ' ' ILE . 2.2 tt -70.05 -39.79 75.51 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.271 179.301 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.2 mt -70.07 -41.27 74.34 Favored 'General case' 0 N--CA 1.473 0.717 0 O-C-N 123.347 0.404 . . . . 0.0 111.614 179.615 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 21.4 m80 -71.13 -31.41 67.69 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.28 179.17 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.47 ' HB2' ' O ' ' A' ' 24' ' ' LYS . 1.8 tt -74.92 -32.29 61.76 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.89 179.232 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.406 ' HG3' ' O ' ' A' ' 25' ' ' LEU . 43.6 mt-10 -72.42 -39.83 67.6 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.936 178.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -69.72 -38.59 76.97 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.563 178.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 54.4 mt-30 -74.14 -25.81 59.96 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.181 178.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.43 ' HB2' ' O ' ' A' ' 28' ' ' LEU . 5.1 tt -74.68 -39.4 62.01 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.704 179.201 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.411 ' O ' ' HD2' ' A' ' 37' ' ' TYR . 4.8 tp -71.13 -39.64 71.9 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.567 179.03 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -72.26 -31.18 63.99 Favored Glycine 0 C--N 1.343 0.967 0 CA-C-N 115.695 -0.684 . . . . 0.0 113.152 179.073 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -81.18 -29.11 34.72 Favored 'General case' 0 N--CA 1.469 0.521 0 N-CA-C 112.337 0.495 . . . . 0.0 112.337 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 43.9 mtt -82.65 -34.75 27.38 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 112.371 0.508 . . . . 0.0 112.371 -179.694 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.411 ' HD2' ' O ' ' A' ' 33' ' ' LEU . 26.6 m-85 -81.21 -40.52 23.71 Favored 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 111.973 0.36 . . . . 0.0 111.973 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 14.4 t -86.76 -25.59 24.59 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.722 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 66.5 m80 62.5 110.34 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 123.775 0.83 . . . . 0.0 111.83 -179.753 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -142.29 160.28 40.57 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.955 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -95.82 -38.59 10.24 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.554 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.7 -37.87 85.61 Favored 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 112.465 0.542 . . . . 0.0 112.465 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.481 ' O ' ' HB2' ' A' ' 47' ' ' LEU . 8.5 mt -71.6 -28.3 63.71 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 116.034 -0.53 . . . . 0.0 112.228 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 12.5 t80 -70.22 -39.94 74.83 Favored 'General case' 0 N--CA 1.473 0.703 0 O-C-N 123.358 0.411 . . . . 0.0 110.931 179.401 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 54.8 mt-30 -71.51 -39.92 70.47 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.486 179.027 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 52.9 m -69.05 -33.7 74.01 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.992 178.524 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.481 ' HB2' ' O ' ' A' ' 43' ' ' LEU . 2.4 tt -70.79 -35.93 72.8 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.205 179.273 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -70.65 -41.2 72.44 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.385 179.366 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -71.42 -38.05 62.41 Favored Glycine 0 C--N 1.344 0.998 0 CA-C-N 115.931 -0.577 . . . . 0.0 112.566 179.186 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.612 ' O ' HG23 ' A' ' 54' ' ' VAL . 40.1 mt-10 -71.43 -35.85 71.08 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 122.681 0.392 . . . . 0.0 111.114 179.178 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.414 ' HB2' ' O ' ' A' ' 47' ' ' LEU . 2.6 tt -70.19 -35.77 74.16 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.719 179.159 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 -72.23 -33.67 67.73 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.977 179.13 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 19.1 p -73.83 -33.99 64.37 Favored 'General case' 0 N--CA 1.472 0.635 0 O-C-N 123.423 0.452 . . . . 0.0 111.648 179.055 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.612 HG23 ' O ' ' A' ' 50' ' ' GLU . 87.8 t -73.78 -34.78 41.58 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.866 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.289 179.005 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 75.2 mttt -73.68 -35.11 65.14 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.291 178.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -72.98 -33.97 66.16 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.251 178.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 17.4 p -73.38 -37.35 66.04 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.206 178.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.0 tp -71.14 -37.24 72.28 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.795 179.2 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.433 ' O ' HG13 ' A' ' 62' ' ' ILE . 53.2 mt-30 -69.62 -37.09 76.7 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.865 178.62 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.462 ' O ' ' HB2' ' A' ' 64' ' ' GLN . . . -69.89 -31.49 69.32 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.113 178.682 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 15.8 ttt -70.7 -44.29 67.23 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.954 179.06 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.463 ' O ' ' HB2' ' A' ' 66' ' ' GLN . 1.6 pt -75.53 -22.69 16.45 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 O-C-N 123.424 0.453 . . . . 0.0 111.87 179.426 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.8 tp -86.49 -24.76 25.46 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.064 179.324 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.462 ' HB2' ' O ' ' A' ' 60' ' ' ALA . 5.5 tt0 -87.36 -31.09 20.32 Favored 'General case' 0 N--CA 1.468 0.466 0 O-C-N 123.435 0.46 . . . . 0.0 111.391 179.608 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 17.5 mt -84.93 -37.5 20.47 Favored 'General case' 0 N--CA 1.47 0.537 0 O-C-N 123.315 0.384 . . . . 0.0 111.607 179.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.463 ' HB2' ' O ' ' A' ' 62' ' ' ILE . 46.6 mt-30 -97.12 109.43 49.39 Favored Pre-proline 0 CA--C 1.542 0.673 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.745 179.788 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 22.3 Cg_exo -65.81 -38.83 22.16 Favored 'Trans proline' 0 C--N 1.375 1.934 0 C-N-CA 122.526 2.151 . . . . 0.0 113.393 179.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 18.2 p -141.46 135.88 30.73 Favored 'General case' 0 N--CA 1.467 0.386 0 O-C-N 123.273 0.358 . . . . 0.0 111.25 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 66.5 mttm 61.96 123.82 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 124.045 0.938 . . . . 0.0 112.245 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -116.01 -44.7 2.9 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.034 179.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -129.66 146.77 51.42 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.086 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -178.51 -83.67 0.06 OUTLIER Glycine 0 C--N 1.337 0.619 0 O-C-N 123.634 0.584 . . . . 0.0 112.521 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 63.06 124.82 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 124.024 0.93 . . . . 0.0 111.952 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -104.05 149.76 24.9 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.107 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 51.7 m -99.3 144.75 28.06 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.008 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -125.68 -41.37 2.0 Allowed 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.509 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 52.6 m -99.01 148.77 23.67 Favored 'General case' 0 C--O 1.234 0.26 0 O-C-N 123.428 0.455 . . . . 0.0 111.068 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 29.8 p90 42.05 96.4 0.04 OUTLIER Pre-proline 0 N--CA 1.489 1.519 0 C-N-CA 124.603 1.161 . . . . 0.0 113.358 -179.691 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_exo -69.16 148.87 69.89 Favored 'Trans proline' 0 C--N 1.376 1.978 0 C-N-CA 122.631 2.221 . . . . 0.0 112.83 179.459 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 6.3 t -98.9 122.08 41.68 Favored 'General case' 0 N--CA 1.467 0.42 0 O-C-N 123.686 0.616 . . . . 0.0 111.13 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -128.91 -42.74 1.38 Allowed 'General case' 0 C--O 1.234 0.283 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.346 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -173.25 117.52 0.65 Allowed Glycine 0 C--N 1.341 0.828 0 O-C-N 123.432 0.457 . . . . 0.0 112.405 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -120.6 -41.9 2.56 Favored 'General case' 0 C--O 1.235 0.314 0 O-C-N 123.585 0.226 . . . . 0.0 111.495 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 12.0 mm100 -99.69 131.6 45.58 Favored 'General case' 0 C--O 1.235 0.294 0 O-C-N 123.43 0.456 . . . . 0.0 110.866 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -128.84 137.24 51.38 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.859 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 5.9 t -137.39 120.08 16.19 Favored 'General case' 0 CA--C 1.535 0.371 0 O-C-N 123.601 0.563 . . . . 0.0 110.972 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -131.77 -43.16 1.0 Allowed 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.185 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -105.89 142.8 34.99 Favored 'General case' 0 C--O 1.234 0.277 0 O-C-N 123.349 0.406 . . . . 0.0 111.098 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 5.7 mp 62.91 125.72 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 123.879 0.872 . . . . 0.0 112.023 -179.704 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 3.9 m -124.81 158.71 61.59 Favored Pre-proline 0 CA--C 1.545 0.774 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.157 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 7.3 Cg_exo -74.01 131.82 16.04 Favored 'Trans proline' 0 C--N 1.377 2.028 0 C-N-CA 122.555 2.17 . . . . 0.0 112.769 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -131.28 -42.81 1.06 Allowed 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.177 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 105.51 76.07 1.03 Allowed Glycine 0 C--N 1.34 0.766 0 O-C-N 123.452 0.47 . . . . 0.0 112.405 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 16.1 t -127.11 131.06 50.9 Favored 'General case' 0 C--O 1.235 0.321 0 C-N-CA 122.294 0.238 . . . . 0.0 110.659 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 147.75 -151.39 23.64 Favored Glycine 0 C--N 1.338 0.639 0 CA-C-N 115.894 -0.593 . . . . 0.0 112.497 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -129.12 -42.76 1.35 Allowed 'General case' 0 N--CA 1.467 0.395 0 O-C-N 123.666 0.274 . . . . 0.0 111.118 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 100.48 80.73 1.54 Allowed Glycine 0 C--N 1.341 0.831 0 O-C-N 123.359 0.412 . . . . 0.0 112.441 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.494 ' O ' HD12 ' A' ' 102' ' ' LEU . 97.3 mttt -129.24 -41.86 1.38 Allowed 'General case' 0 N--CA 1.467 0.376 0 O-C-N 123.617 0.246 . . . . 0.0 111.256 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -118.57 -26.47 6.16 Favored 'General case' 0 N--CA 1.466 0.373 0 O-C-N 123.371 0.419 . . . . 0.0 111.546 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -88.91 -25.16 22.26 Favored 'General case' 0 N--CA 1.47 0.563 0 O-C-N 123.404 0.44 . . . . 0.0 111.958 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -77.07 -30.56 55.57 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 112.37 0.507 . . . . 0.0 112.37 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.494 HD12 ' O ' ' A' ' 98' ' ' LYS . 12.8 mt -86.24 -29.49 23.1 Favored 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 112.01 0.374 . . . . 0.0 112.01 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -75.16 -38.19 61.01 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 112.002 0.371 . . . . 0.0 112.002 -179.742 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -64.72 -41.17 96.18 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 122.811 0.444 . . . . 0.0 111.703 179.505 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 23.7 tptt -75.8 -36.77 59.62 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.218 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -71.03 -35.9 72.17 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.532 179.375 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . 0.501 ' OD2' ' HE3' ' A' ' 111' ' ' LYS . 2.2 t70 -75.8 -34.84 60.19 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.424 179.582 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 47.6 p -68.93 -44.18 73.59 Favored 'General case' 0 N--CA 1.471 0.622 0 O-C-N 123.29 0.369 . . . . 0.0 111.484 179.449 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 3.2 mp -73.55 -32.42 64.18 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.387 179.353 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.434 ' O ' ' HG3' ' A' ' 114' ' ' GLN . . . -68.03 -36.44 79.92 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 123.224 0.328 . . . . 0.0 110.94 178.606 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.501 ' HE3' ' OD2' ' A' ' 107' ' ' ASP . 95.4 mttt -72.88 -35.18 67.11 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.491 178.474 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -67.93 -33.63 75.05 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.285 178.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 21.6 mt -77.14 -33.08 19.82 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 O-C-N 123.482 0.489 . . . . 0.0 109.747 178.534 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . 0.434 ' HG3' ' O ' ' A' ' 110' ' ' ALA . 53.6 mt-30 -65.26 -36.82 85.3 Favored 'General case' 0 N--CA 1.474 0.73 0 O-C-N 123.357 0.411 . . . . 0.0 110.425 178.141 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . 0.484 ' HD1' ' O ' ' A' ' 111' ' ' LYS . 17.8 m-85 -75.01 -35.61 61.97 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.004 177.768 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 2.0 tt -66.2 -38.86 89.02 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.86 178.67 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.508 ' O ' HG13 ' A' ' 120' ' ' ILE . 95.2 mttt -72.75 -37.54 67.65 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.804 179.165 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -69.19 -32.02 71.03 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.983 178.507 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.583 ' O ' HG22 ' A' ' 123' ' ' VAL . 14.1 mt -71.77 -43.22 66.11 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.327 179.722 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . 0.508 HG13 ' O ' ' A' ' 117' ' ' LYS . 0.8 OUTLIER -69.81 -33.25 55.19 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.296 178.92 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -72.93 -32.11 65.06 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.427 178.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -73.28 -38.24 65.97 Favored 'General case' 0 N--CA 1.47 0.558 0 O-C-N 123.441 0.463 . . . . 0.0 111.685 179.548 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.583 HG22 ' O ' ' A' ' 119' ' ' LEU . 2.7 m -74.01 -33.98 37.68 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 O-C-N 123.315 0.385 . . . . 0.0 111.069 178.666 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -70.56 -36.37 73.6 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.203 178.642 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -74.14 -36.55 64.14 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.287 179.04 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -75.38 -26.11 58.22 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.987 179.528 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 18.7 mtp180 -79.03 131.9 36.44 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 122.824 0.45 . . . . 0.0 111.472 179.77 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 155.89 -126.34 1.81 Allowed Glycine 0 C--N 1.338 0.665 0 CA-C-N 115.733 -0.667 . . . . 0.0 112.496 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -129.05 137.21 51.16 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 122.304 0.242 . . . . 0.0 110.896 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -125.44 145.89 49.87 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.868 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -99.45 -42.55 6.9 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.236 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 3.9 m -130.98 158.81 74.05 Favored Pre-proline 0 CA--C 1.546 0.81 0 CA-C-O 119.225 -0.417 . . . . 0.0 111.224 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 6.5 Cg_exo . . . . . 0 C--N 1.375 1.967 0 C-N-CA 122.526 2.15 . . . . 0.0 112.713 179.858 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.226 0 CA-C-O 119.068 -0.851 . . . . 0.0 112.63 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -75.35 -35.76 2.72 Favored 'Trans proline' 0 C--N 1.372 1.81 0 C-N-CA 122.849 2.366 . . . . 0.0 113.028 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 92.2 m95 -102.03 144.83 30.13 Favored 'General case' 0 C--O 1.236 0.354 0 O-C-N 123.493 0.496 . . . . 0.0 110.871 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -125.9 -42.12 1.92 Allowed 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.144 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 70.97 -48.33 0.67 Allowed 'General case' 0 N--CA 1.487 1.425 0 C-N-CA 124.561 1.144 . . . . 0.0 112.586 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -103.49 118.89 37.77 Favored 'General case' 0 C--O 1.236 0.347 0 O-C-N 123.334 0.397 . . . . 0.0 110.937 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 44.8 p -130.99 -46.68 1.02 Allowed 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.745 179.635 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 68.4 m-70 -131.0 94.27 3.56 Favored 'General case' 0 C--O 1.238 0.483 0 CA-C-O 121.238 0.542 . . . . 0.0 110.209 179.325 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.1 pp -143.95 1.5 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 CA-C-N 115.498 -0.774 . . . . 0.0 111.866 -179.547 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 5.4 m -87.68 -28.44 5.57 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.453 ' O ' ' HE3' ' A' ' 129' ' ' LYS . 50.2 m -94.03 -14.4 25.87 Favored 'General case' 0 N--CA 1.466 0.372 0 O-C-N 123.425 0.453 . . . . 0.0 111.867 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -94.86 -22.14 18.22 Favored 'General case' 0 N--CA 1.467 0.421 0 N-CA-C 112.117 0.414 . . . . 0.0 112.117 -179.709 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -87.03 -22.03 25.73 Favored 'General case' 0 N--CA 1.472 0.667 0 O-C-N 123.331 0.394 . . . . 0.0 111.961 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.7 m -71.09 -39.1 73.85 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 N-CA-C 112.589 0.589 . . . . 0.0 112.589 -179.707 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -60.53 -40.13 97.36 Favored Glycine 0 C--N 1.343 0.946 0 O-C-N 123.484 0.49 . . . . 0.0 113.823 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -75.02 -35.05 61.98 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 122.485 0.314 . . . . 0.0 111.468 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 60.2 mttp -73.89 -34.13 64.3 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.014 179.162 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.404 ' O ' HG22 ' A' ' 21' ' ' ILE . 94.0 m -72.79 -37.95 67.4 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.877 178.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.566 ' O ' HG22 ' A' ' 23' ' ' VAL . 41.3 mt-10 -70.18 -36.66 74.81 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.374 179.034 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.34 -38.38 68.62 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.6 179.555 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.404 HG22 ' O ' ' A' ' 18' ' ' CYS . 2.2 tp -72.81 -27.82 25.92 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.815 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.459 178.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -73.05 -42.55 43.81 Favored Glycine 0 C--N 1.348 1.245 0 CA-C-N 115.695 -0.684 . . . . 0.0 112.332 178.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.566 HG22 ' O ' ' A' ' 19' ' ' GLU . 2.8 m -71.18 -34.14 53.47 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 CA-C-O 120.698 0.285 . . . . 0.0 111.18 178.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -71.48 -35.02 70.67 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.909 178.645 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.7 tt -69.95 -39.23 76.18 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.097 179.072 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 13.5 mt -69.03 -39.98 78.91 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.429 179.406 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 15.5 m-70 -70.69 -31.69 68.66 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.02 178.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.444 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 0.6 OUTLIER -74.86 -30.48 61.35 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.064 178.907 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -73.11 -41.09 64.4 Favored 'General case' 0 N--CA 1.471 0.575 0 O-C-N 123.541 0.526 . . . . 0.0 110.694 179.15 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -69.9 -37.12 75.9 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.082 178.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 53.9 mt-30 -74.32 -28.64 61.25 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.244 179.043 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.444 ' HB2' ' O ' ' A' ' 28' ' ' LEU . 3.6 tt -72.89 -40.31 65.66 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.906 179.271 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.457 ' O ' ' HD2' ' A' ' 37' ' ' TYR . 4.8 tp -71.16 -39.12 72.11 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.52 178.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -71.96 -28.27 68.95 Favored Glycine 0 C--N 1.343 0.971 0 CA-C-N 115.744 -0.662 . . . . 0.0 112.794 179.025 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -80.99 -30.52 35.02 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 122.709 0.404 . . . . 0.0 111.826 179.199 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 39.6 mtt -78.83 -34.89 44.82 Favored 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 112.117 0.414 . . . . 0.0 112.117 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.457 ' HD2' ' O ' ' A' ' 33' ' ' LEU . 26.4 m-85 -81.08 -35.34 31.85 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 112.003 0.371 . . . . 0.0 112.003 179.802 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 14.4 t -86.55 -27.76 23.76 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.657 179.782 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 74.3 m-70 62.86 110.72 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 123.954 0.902 . . . . 0.0 112.01 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -142.46 162.72 34.74 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.588 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -95.71 -41.35 8.92 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.762 -179.691 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.88 -29.0 68.79 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 112.797 0.666 . . . . 0.0 112.797 -179.662 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -67.29 -28.95 68.43 Favored 'General case' 0 N--CA 1.472 0.651 0 N-CA-C 112.506 0.558 . . . . 0.0 112.506 -179.471 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 27.8 m-85 -68.69 -37.47 79.58 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 122.26 0.224 . . . . 0.0 111.527 179.55 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -72.82 -40.05 66.13 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.378 178.772 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 52.5 m -69.23 -38.73 78.66 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.475 178.677 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.421 ' O ' ' HB2' ' A' ' 51' ' ' LEU . 17.3 mt -70.79 -34.1 71.42 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 116.015 -0.539 . . . . 0.0 112.108 179.515 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -72.96 -40.37 65.41 Favored 'General case' 0 N--CA 1.472 0.669 0 O-C-N 123.314 0.384 . . . . 0.0 111.734 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -71.6 -38.06 61.71 Favored Glycine 0 C--N 1.342 0.891 0 CA-C-N 116.169 -0.469 . . . . 0.0 112.889 179.375 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -73.3 -35.5 66.12 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 122.872 0.469 . . . . 0.0 111.488 179.739 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.421 ' HB2' ' O ' ' A' ' 47' ' ' LEU . 4.0 tp -72.86 -36.05 67.33 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.455 179.563 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -74.19 -33.79 63.54 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.175 179.27 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 17.8 p -74.99 -33.99 61.92 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.475 179.036 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.408 HG12 ' HA ' ' A' ' 51' ' ' LEU . 8.3 p -75.0 -34.04 31.13 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.811 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.718 179.358 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 63.6 mttm -73.7 -36.44 65.25 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.063 178.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -73.19 -33.35 65.36 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.223 178.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 10.7 p -74.03 -35.54 64.35 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.336 178.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.596 ' O ' HG12 ' A' ' 62' ' ' ILE . 5.8 tp -71.68 -39.27 70.35 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.661 179.185 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.485 ' O ' ' HB2' ' A' ' 63' ' ' LEU . 47.3 mt-30 -69.6 -37.2 76.8 Favored 'General case' 0 C--N 1.348 0.519 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.791 178.816 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.523 ' O ' ' HG2' ' A' ' 64' ' ' GLN . . . -68.45 -32.99 73.4 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.911 178.794 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 82.1 mtp -68.4 -46.42 70.02 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.262 178.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.596 HG12 ' O ' ' A' ' 58' ' ' LEU . 11.8 mm -75.38 -18.16 15.9 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.88 179.553 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.485 ' HB2' ' O ' ' A' ' 59' ' ' GLN . 2.4 tt -82.4 -33.75 28.58 Favored 'General case' 0 N--CA 1.469 0.506 0 O-C-N 123.231 0.332 . . . . 0.0 111.53 179.495 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.523 ' HG2' ' O ' ' A' ' 60' ' ' ALA . 11.3 pt20 -87.74 -29.25 21.21 Favored 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.507 ' HB3' ' NH1' ' A' ' 127' ' ' ARG . 21.4 mt -81.71 -30.85 32.38 Favored 'General case' 0 N--CA 1.471 0.602 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 -179.831 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 19.8 mm-40 -94.0 158.3 36.43 Favored Pre-proline 0 CA--C 1.54 0.585 0 CA-C-O 119.311 -0.376 . . . . 0.0 110.983 179.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_exo -72.7 149.19 48.23 Favored 'Trans proline' 0 C--N 1.377 2.05 0 C-N-CA 122.589 2.193 . . . . 0.0 112.836 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 7.4 t -99.3 158.89 15.39 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.178 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -97.01 152.71 18.46 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.065 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -93.4 -38.51 11.42 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.561 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -95.44 130.12 42.36 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.262 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 118.72 104.77 2.18 Favored Glycine 0 C--N 1.337 0.617 0 CA-C-N 115.789 -0.641 . . . . 0.0 112.487 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -100.35 144.59 29.18 Favored 'General case' 0 C--O 1.235 0.302 0 O-C-N 123.607 0.24 . . . . 0.0 110.631 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -112.61 144.0 42.84 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.133 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 52.4 m -127.82 149.67 50.17 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.019 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -97.97 -42.66 7.41 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.513 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 53.1 m -112.18 130.8 55.79 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.802 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 91.2 m-85 -103.49 157.61 33.5 Favored Pre-proline 0 CA--C 1.54 0.579 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.843 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 5.4 Cg_exo -75.34 -35.88 2.67 Favored 'Trans proline' 0 C--N 1.377 2.037 0 C-N-CA 122.499 2.133 . . . . 0.0 113.046 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 19.0 p -103.04 148.83 25.21 Favored 'General case' 0 C--O 1.235 0.321 0 O-C-N 123.416 0.448 . . . . 0.0 111.175 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -119.79 145.96 46.12 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.111 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -127.39 130.06 6.68 Favored Glycine 0 C--N 1.337 0.626 0 CA-C-N 115.933 -0.576 . . . . 0.0 112.533 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -106.25 147.16 29.44 Favored 'General case' 0 C--O 1.235 0.31 0 C-N-CA 122.343 0.257 . . . . 0.0 111.129 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -125.64 135.9 52.66 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.906 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -101.03 146.94 26.78 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.85 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 18.8 p -135.85 141.25 44.63 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.038 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -101.11 145.23 29.04 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.852 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -125.78 148.21 49.17 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.061 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 5.8 mp -126.56 146.13 50.26 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.966 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 3.6 m -138.34 108.34 8.02 Favored Pre-proline 0 CA--C 1.544 0.72 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.18 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -65.15 -34.61 45.32 Favored 'Trans proline' 0 C--N 1.376 1.985 0 C-N-CA 122.694 2.263 . . . . 0.0 113.617 179.74 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 84.0 mtm180 -108.22 -45.61 3.89 Favored 'General case' 0 N--CA 1.467 0.379 0 O-C-N 123.278 0.361 . . . . 0.0 111.56 -179.654 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 119.64 -83.9 0.36 Allowed Glycine 0 C--N 1.341 0.837 0 C-N-CA 121.297 -0.478 . . . . 0.0 112.461 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 52.6 m -102.28 146.92 27.33 Favored 'General case' 0 C--O 1.234 0.278 0 O-C-N 123.666 0.274 . . . . 0.0 110.939 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 155.69 145.36 4.16 Favored Glycine 0 C--N 1.337 0.616 0 CA-C-N 115.852 -0.613 . . . . 0.0 112.53 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 -100.37 137.95 38.1 Favored 'General case' 0 C--O 1.235 0.316 0 O-C-N 123.647 0.263 . . . . 0.0 110.89 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 100.9 103.43 2.62 Favored Glycine 0 C--N 1.337 0.636 0 CA-C-N 115.802 -0.635 . . . . 0.0 112.394 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -105.04 146.99 28.32 Favored 'General case' 0 C--O 1.234 0.274 0 O-C-N 123.621 0.248 . . . . 0.0 110.97 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -98.83 -20.65 16.75 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.292 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -90.99 -19.59 23.05 Favored 'General case' 0 N--CA 1.468 0.453 0 O-C-N 123.408 0.442 . . . . 0.0 111.468 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -76.62 -30.02 56.72 Favored 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 112.287 0.476 . . . . 0.0 112.287 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 13.8 mt -86.2 -29.63 23.04 Favored 'General case' 0 N--CA 1.469 0.487 0 O-C-N 123.343 0.402 . . . . 0.0 111.755 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -75.11 -40.74 59.71 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 122.633 0.373 . . . . 0.0 111.622 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -64.63 -38.4 90.88 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.669 179.447 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -76.71 -35.78 57.63 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.521 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -69.58 -37.8 77.11 Favored 'General case' 0 N--CA 1.47 0.572 0 O-C-N 123.381 0.425 . . . . 0.0 111.601 179.485 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -75.7 -37.45 59.46 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.448 179.423 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . 0.484 ' O ' ' HG2' ' A' ' 112' ' ' GLU . 73.0 m -69.28 -40.02 78.0 Favored 'General case' 0 N--CA 1.472 0.643 0 O-C-N 123.278 0.361 . . . . 0.0 111.128 179.127 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 24.6 mt -70.21 -38.82 75.36 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.044 179.282 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -71.07 -30.15 66.22 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.902 179.663 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -74.38 -38.89 63.03 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.472 179.464 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.484 ' HG2' ' O ' ' A' ' 108' ' ' SER . 7.7 pt-20 -73.6 -31.09 63.38 Favored 'General case' 0 N--CA 1.476 0.847 0 O-C-N 123.3 0.375 . . . . 0.0 111.657 178.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 48.4 mt -77.04 -33.1 20.08 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 O-C-N 123.207 0.317 . . . . 0.0 110.477 178.651 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -71.25 -40.12 71.19 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-O 120.801 0.334 . . . . 0.0 110.467 178.505 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 11.8 t80 -70.02 -35.79 74.59 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.024 178.441 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.671 ' O ' HG12 ' A' ' 120' ' ' ILE . 10.3 tp -65.19 -40.53 94.35 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.523 178.639 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -66.56 -38.52 87.28 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.012 179.105 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -68.6 -30.88 69.71 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.122 178.594 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 14.9 mt -73.69 -34.27 64.79 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.483 179.094 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . 0.671 HG12 ' O ' ' A' ' 116' ' ' LEU . 30.0 mm -72.44 -37.36 57.3 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.301 178.774 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -72.81 -32.64 65.68 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.423 179.288 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -75.89 -33.67 59.94 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.553 179.267 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.405 HG12 ' O ' ' A' ' 120' ' ' ILE . 9.9 p -75.16 -34.95 32.87 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.785 0 O-C-N 123.302 0.376 . . . . 0.0 110.523 179.085 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -71.2 -39.84 71.55 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.109 178.565 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 58.7 mttp -74.22 -30.32 62.13 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.908 179.475 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -75.04 -42.96 56.03 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 116.267 -0.424 . . . . 0.0 112.118 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . 0.507 ' NH1' ' HB3' ' A' ' 65' ' ' LEU . 86.5 mtt180 -134.83 145.26 48.16 Favored 'General case' 0 N--CA 1.466 0.346 0 O-C-N 123.353 0.408 . . . . 0.0 110.965 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 160.4 162.02 12.03 Favored Glycine 0 C--N 1.339 0.723 0 CA-C-N 115.816 -0.629 . . . . 0.0 112.65 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.453 ' HE3' ' O ' ' A' ' 11' ' ' SER . 95.7 mttt -97.98 141.08 31.38 Favored 'General case' 0 C--O 1.234 0.287 0 C-N-CA 122.309 0.244 . . . . 0.0 111.061 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -131.29 127.55 37.97 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.694 179.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 62.84 125.88 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 123.964 0.906 . . . . 0.0 112.014 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 3.9 m -134.8 158.9 74.01 Favored Pre-proline 0 CA--C 1.545 0.757 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.298 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 6.6 Cg_exo . . . . . 0 C--N 1.375 1.942 0 C-N-CA 122.664 2.243 . . . . 0.0 112.72 179.885 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.294 0 CA-C-O 119.284 -0.731 . . . . 0.0 112.566 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 5.4 Cg_exo -75.94 142.59 25.29 Favored 'Trans proline' 0 C--N 1.37 1.697 0 C-N-CA 122.968 2.445 . . . . 0.0 112.742 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 12.4 t-105 -125.3 142.2 51.64 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.585 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -103.33 144.95 30.68 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.906 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -125.52 144.81 50.38 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.743 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -99.98 114.94 28.57 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.024 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 53.2 m -138.9 -43.94 0.47 Allowed 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.975 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 9.2 t-80 -131.02 -11.7 3.71 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.273 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.1 pp -90.01 85.3 2.39 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.509 0 CA-C-O 121.427 0.632 . . . . 0.0 111.418 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.435 ' O ' HG13 ' A' ' 14' ' ' VAL . 2.9 m -148.05 -36.12 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 CA-C-N 115.105 -0.952 . . . . 0.0 111.011 179.81 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 58.1 m -85.92 -14.9 43.38 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.837 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -98.03 -20.42 17.4 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.65 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -89.61 -22.07 22.5 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.864 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.435 HG13 ' O ' ' A' ' 10' ' ' VAL . 2.9 m -64.75 -39.82 86.93 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 N-CA-C 112.814 0.672 . . . . 0.0 112.814 -179.828 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -62.23 -39.87 98.26 Favored Glycine 0 C--N 1.342 0.87 0 O-C-N 123.519 0.512 . . . . 0.0 113.485 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -76.59 -31.5 57.52 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 122.602 0.361 . . . . 0.0 111.255 179.68 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -75.67 -34.25 60.45 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.046 179.305 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.418 ' HA ' HG22 ' A' ' 21' ' ' ILE . 98.0 m -74.49 -38.42 62.89 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.646 178.82 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.567 ' O ' HG22 ' A' ' 23' ' ' VAL . 41.9 mt-10 -70.29 -35.37 73.67 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.39 178.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.37 -40.53 67.22 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.427 179.398 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.418 HG22 ' HA ' ' A' ' 18' ' ' CYS . 1.1 tt -71.33 -27.64 29.71 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.847 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.389 178.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.1 -43.72 47.25 Favored Glycine 0 C--N 1.348 1.199 0 CA-C-N 115.712 -0.676 . . . . 0.0 112.241 178.646 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.567 HG22 ' O ' ' A' ' 19' ' ' GLU . 2.8 m -71.23 -30.46 40.42 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 CA-C-O 120.631 0.253 . . . . 0.0 111.28 178.796 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -72.89 -36.26 67.3 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.843 178.5 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.8 tp -70.22 -39.44 75.11 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.218 179.339 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.3 mt -70.79 -38.61 73.38 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.391 179.508 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.477 ' HD2' ' NE2' ' A' ' 31' ' ' GLN . 2.9 t60 -72.36 -31.8 65.92 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.776 179.119 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.467 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 5.0 tp -74.72 -31.83 61.96 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.752 179.059 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -73.87 -36.68 64.85 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.765 178.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -69.67 -39.98 76.67 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.454 178.68 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.477 ' NE2' ' HD2' ' A' ' 27' ' ' HIS . 43.9 mt-30 -74.15 -27.2 60.72 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.021 178.873 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.467 ' HB2' ' O ' ' A' ' 28' ' ' LEU . 3.7 tt -72.12 -39.62 68.71 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.788 179.275 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.437 ' O ' ' HD1' ' A' ' 37' ' ' TYR . 4.8 tp -71.59 -39.8 70.32 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.415 178.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -71.98 -26.54 72.29 Favored Glycine 0 C--N 1.344 1.004 0 CA-C-N 115.71 -0.677 . . . . 0.0 112.792 178.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -81.09 -33.04 33.62 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 122.721 0.408 . . . . 0.0 111.907 179.334 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 47.8 mtt -78.98 -33.79 44.76 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 112.372 0.508 . . . . 0.0 112.372 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.437 ' HD1' ' O ' ' A' ' 33' ' ' LEU . 25.8 m-85 -81.13 -39.26 25.88 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 111.931 0.345 . . . . 0.0 111.931 179.776 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 53.2 m -86.74 -21.63 26.46 Favored 'General case' 0 N--CA 1.47 0.568 0 O-C-N 123.403 0.439 . . . . 0.0 111.865 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 72.3 m-70 62.06 111.63 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 123.926 0.89 . . . . 0.0 111.907 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.405 ' CB ' HD12 ' A' ' 43' ' ' LEU . 7.7 m-20 -142.62 164.41 30.18 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.792 -179.809 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -106.94 -40.03 5.59 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.398 179.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.85 -31.51 72.18 Favored 'General case' 0 N--CA 1.473 0.717 0 N-CA-C 112.842 0.682 . . . . 0.0 112.842 -179.72 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.405 HD12 ' CB ' ' A' ' 40' ' ' ASP . 2.5 mt -67.06 -28.58 68.32 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 112.43 0.53 . . . . 0.0 112.43 -179.636 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -68.86 -37.48 79.12 Favored 'General case' 0 N--CA 1.474 0.746 0 O-C-N 123.134 0.271 . . . . 0.0 111.213 178.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -72.41 -38.11 68.48 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.531 178.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 16.4 t -68.89 -36.88 78.58 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 115.701 -0.682 . . . . 0.0 110.865 178.538 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.418 ' O ' ' HB2' ' A' ' 51' ' ' LEU . 17.5 mt -70.7 -33.8 71.27 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.594 178.752 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -70.37 -40.55 73.94 Favored 'General case' 0 N--CA 1.474 0.755 0 O-C-N 123.5 0.5 . . . . 0.0 111.391 179.381 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -70.46 -39.69 69.02 Favored Glycine 0 C--N 1.344 1.006 0 CA-C-N 116.073 -0.512 . . . . 0.0 112.345 179.036 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.608 ' O ' HG23 ' A' ' 54' ' ' VAL . 43.7 mt-10 -69.52 -35.63 75.67 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 122.753 0.421 . . . . 0.0 110.847 179.03 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.418 ' HB2' ' O ' ' A' ' 47' ' ' LEU . 2.4 tp -70.06 -34.95 73.86 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.838 179.128 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 19.1 mm-40 -71.86 -33.75 68.67 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.361 179.017 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 19.5 p -73.56 -36.03 65.55 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.54 179.003 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.608 HG23 ' O ' ' A' ' 50' ' ' GLU . 57.5 t -73.17 -34.33 44.4 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.185 178.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 64.7 mttm -72.9 -34.5 66.69 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.827 178.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -73.02 -33.46 65.76 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.96 178.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 19.2 p -73.03 -37.06 67.03 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.189 179.016 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 17.5 mt -70.74 -38.06 73.49 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.884 178.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -69.29 -36.9 77.52 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.748 178.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -70.2 -32.18 69.98 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.092 178.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 87.1 mtp -70.76 -40.89 72.4 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.482 179.122 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 3.0 tp -75.28 -27.22 19.3 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.861 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.244 179.278 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.8 tp -83.49 -24.42 31.75 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.4 179.537 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -89.52 -29.38 18.98 Favored 'General case' 0 N--CA 1.469 0.495 0 O-C-N 123.348 0.405 . . . . 0.0 111.766 179.768 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 20.3 mt -87.53 -38.39 16.05 Favored 'General case' 0 N--CA 1.471 0.585 0 O-C-N 123.188 0.305 . . . . 0.0 111.517 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 -116.91 106.5 47.63 Favored Pre-proline 0 CA--C 1.542 0.659 0 O-C-N 123.437 0.46 . . . . 0.0 110.659 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 22.8 Cg_exo -66.13 -35.0 35.09 Favored 'Trans proline' 0 C--N 1.375 1.974 0 C-N-CA 122.608 2.205 . . . . 0.0 113.344 179.742 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 18.8 p -127.97 137.83 52.39 Favored 'General case' 0 C--O 1.236 0.353 0 O-C-N 123.386 0.429 . . . . 0.0 111.198 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 34.1 tttm -107.28 130.59 54.74 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.513 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -100.81 130.9 46.9 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.856 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -125.61 144.68 50.47 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.199 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 100.68 54.03 1.02 Allowed Glycine 0 C--N 1.335 0.527 0 O-C-N 123.635 0.584 . . . . 0.0 112.521 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -129.86 139.61 51.15 Favored 'General case' 0 C--O 1.235 0.306 0 C-N-CA 122.292 0.237 . . . . 0.0 110.898 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -118.21 129.87 55.75 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.054 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 16.0 t -128.88 145.18 51.28 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.74 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -126.14 137.56 53.59 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.078 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 53.3 m -127.39 -41.88 1.7 Allowed 'General case' 0 C--O 1.236 0.363 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.282 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 90.6 m-85 -122.11 157.91 56.76 Favored Pre-proline 0 CA--C 1.538 0.507 0 O-C-N 123.299 0.374 . . . . 0.0 110.986 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 6.5 Cg_exo -74.84 149.89 38.19 Favored 'Trans proline' 0 C--N 1.376 2.015 0 C-N-CA 122.57 2.18 . . . . 0.0 112.735 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 40.7 p 52.2 107.33 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 124.379 1.072 . . . . 0.0 112.857 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -104.7 -42.48 5.38 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.386 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 161.32 67.58 0.02 OUTLIER Glycine 0 C--N 1.339 0.73 0 O-C-N 123.463 0.477 . . . . 0.0 112.499 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -99.66 -42.23 6.97 Favored 'General case' 0 C--O 1.235 0.341 0 O-C-N 123.633 0.255 . . . . 0.0 111.426 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -99.24 -43.1 6.74 Favored 'General case' 0 C--O 1.236 0.387 0 O-C-N 123.403 0.44 . . . . 0.0 111.13 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -105.06 144.39 31.93 Favored 'General case' 0 C--O 1.235 0.298 0 O-C-N 123.303 0.377 . . . . 0.0 110.545 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 19.5 p -99.31 -46.26 5.58 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.337 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -111.18 129.84 55.82 Favored 'General case' 0 C--O 1.234 0.251 0 O-C-N 123.497 0.498 . . . . 0.0 110.523 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -108.36 -41.63 4.81 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.428 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.401 HD23 ' N ' ' A' ' 90' ' ' VAL . 2.7 tt -100.09 146.36 26.88 Favored 'General case' 0 C--O 1.236 0.367 0 O-C-N 123.385 0.428 . . . . 0.0 110.558 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.401 ' N ' HD23 ' A' ' 89' ' ' LEU . 3.3 m -133.4 106.82 12.09 Favored Pre-proline 0 CA--C 1.545 0.779 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.281 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 28.4 Cg_exo -63.51 137.66 60.96 Favored 'Trans proline' 0 C--N 1.376 1.992 0 C-N-CA 122.637 2.225 . . . . 0.0 112.982 179.606 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 35.5 ttt180 -100.96 143.55 30.97 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.664 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 149.05 113.6 0.69 Allowed Glycine 0 C--N 1.337 0.622 0 CA-C-N 115.894 -0.594 . . . . 0.0 112.463 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 16.1 t -127.96 130.56 48.61 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 122.305 0.242 . . . . 0.0 110.759 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -161.38 -136.14 1.95 Allowed Glycine 0 C--N 1.336 0.529 0 O-C-N 123.624 0.578 . . . . 0.0 112.478 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -127.95 152.12 48.27 Favored 'General case' 0 C--O 1.234 0.274 0 C-N-CA 122.305 0.242 . . . . 0.0 110.701 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -97.89 119.33 6.39 Favored Glycine 0 C--N 1.338 0.689 0 CA-C-N 115.89 -0.596 . . . . 0.0 112.611 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -129.66 -39.85 1.43 Allowed 'General case' 0 N--CA 1.467 0.389 0 O-C-N 123.636 0.257 . . . . 0.0 111.216 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . 0.481 ' OD1' HD12 ' A' ' 102' ' ' LEU . 46.9 m-80 -97.11 127.32 42.96 Favored 'General case' 0 N--CA 1.467 0.376 0 O-C-N 123.575 0.547 . . . . 0.0 110.814 -179.853 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -131.04 -33.13 1.56 Allowed 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.238 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -76.9 -29.6 55.82 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.867 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.481 HD12 ' OD1' ' A' ' 99' ' ' ASN . 23.5 mt -84.57 -26.65 27.83 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.744 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -72.46 -37.61 68.48 Favored 'General case' 0 N--CA 1.473 0.681 0 O-C-N 123.266 0.354 . . . . 0.0 111.87 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -64.66 -39.68 94.1 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.643 179.66 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.434 ' O ' ' HB2' ' A' ' 109' ' ' LEU . 97.1 mttt -78.32 -31.63 48.88 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.516 179.777 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -71.55 -40.85 69.74 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.514 179.224 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -75.92 -36.01 59.56 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.778 179.63 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . 0.416 ' O ' ' HG3' ' A' ' 112' ' ' GLU . 17.1 t -70.54 -42.11 71.64 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 123.295 0.372 . . . . 0.0 111.087 179.435 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.434 ' HB2' ' O ' ' A' ' 105' ' ' LYS . 5.0 mp -71.94 -33.78 68.51 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.321 179.287 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -70.86 -33.75 70.95 Favored 'General case' 0 N--CA 1.471 0.602 0 O-C-N 123.344 0.402 . . . . 0.0 110.88 178.583 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.457 ' O ' ' HB2' ' A' ' 115' ' ' TYR . 63.8 mttm -75.12 -29.75 60.66 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.699 178.504 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.416 ' HG3' ' O ' ' A' ' 108' ' ' SER . 45.9 mt-10 -72.32 -39.3 68.32 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.4 178.764 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 13.2 mt -73.05 -37.25 52.84 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.078 179.051 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 53.6 mt-30 -70.56 -32.54 69.99 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.863 178.631 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . 0.457 ' HB2' ' O ' ' A' ' 111' ' ' LYS . 10.6 t80 -72.33 -36.46 68.84 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.831 179.117 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 13.7 mt -69.42 -37.91 77.65 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.016 178.659 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -68.41 -39.22 81.71 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.947 178.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -68.94 -32.2 71.62 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.134 178.537 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.577 ' O ' HG22 ' A' ' 123' ' ' VAL . 14.4 mt -70.57 -39.21 74.04 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.652 179.307 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 14.3 mt -70.56 -36.47 65.94 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.202 178.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . 0.411 ' O ' ' HB2' ' A' ' 125' ' ' LYS . 42.8 mt-10 -72.95 -28.01 62.17 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.516 178.824 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -76.13 -38.42 56.82 Favored 'General case' 0 N--CA 1.469 0.503 0 O-C-N 123.393 0.433 . . . . 0.0 111.538 179.307 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.602 ' O ' ' HG2' ' A' ' 127' ' ' ARG . 2.6 m -72.59 -36.29 53.26 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 O-C-N 123.355 0.409 . . . . 0.0 111.002 178.769 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -70.39 -39.08 74.73 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.652 178.696 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . 0.411 ' HB2' ' O ' ' A' ' 121' ' ' GLU . 54.9 tttt -74.44 -25.81 59.66 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.276 178.796 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -75.04 -42.37 57.24 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 116.105 -0.498 . . . . 0.0 112.277 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . 0.602 ' HG2' ' O ' ' A' ' 123' ' ' VAL . 17.4 ptt180 -90.44 121.22 32.21 Favored 'General case' 0 N--CA 1.471 0.58 0 O-C-N 123.145 0.278 . . . . 0.0 111.291 179.792 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -108.44 -151.22 15.34 Favored Glycine 0 C--N 1.337 0.637 0 CA-C-N 115.824 -0.626 . . . . 0.0 112.616 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -131.37 -36.49 1.28 Allowed 'General case' 0 N--CA 1.467 0.385 0 O-C-N 123.706 0.298 . . . . 0.0 111.481 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -90.34 -39.83 12.47 Favored 'General case' 0 N--CA 1.469 0.516 0 O-C-N 123.371 0.419 . . . . 0.0 111.563 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -96.98 130.98 44.23 Favored 'General case' 0 N--CA 1.467 0.386 0 O-C-N 123.316 0.385 . . . . 0.0 110.97 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 3.1 m -134.42 96.28 15.54 Favored Pre-proline 0 CA--C 1.547 0.828 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.247 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 13.4 Cg_exo . . . . . 0 C--N 1.374 1.91 0 C-N-CA 122.736 2.291 . . . . 0.0 112.818 179.493 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.234 0 CA-C-O 119.296 -0.724 . . . . 0.0 112.615 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 6.9 Cg_exo -75.05 139.86 24.64 Favored 'Trans proline' 0 C--N 1.37 1.672 0 C-N-CA 122.982 2.454 . . . . 0.0 112.833 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 10.2 t-105 -129.44 141.84 50.94 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.483 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -101.76 131.85 47.83 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.899 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.528 ' O ' HG12 ' A' ' 9' ' ' ILE . 43.5 mt-10 -132.05 -36.3 1.18 Allowed 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.481 -179.78 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -95.24 -34.63 12.14 Favored 'General case' 0 N--CA 1.467 0.407 0 O-C-N 123.487 0.492 . . . . 0.0 111.793 -179.597 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 14.7 t -92.87 155.09 17.83 Favored 'General case' 0 N--CA 1.465 0.32 0 O-C-N 123.32 0.388 . . . . 0.0 111.275 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 48.3 m-70 64.81 14.25 9.04 Favored 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 123.96 0.904 . . . . 0.0 112.928 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.528 HG12 ' O ' ' A' ' 5' ' ' GLU . 2.3 pp -120.03 -14.31 8.48 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.522 0 N-CA-C 111.988 0.366 . . . . 0.0 111.988 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 3.6 m -87.62 79.11 1.66 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 CA-C-O 121.333 0.587 . . . . 0.0 111.574 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 49.4 m -143.62 -43.87 0.28 Allowed 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.867 179.703 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -97.84 -12.18 22.45 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.691 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -87.73 -22.65 24.47 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 122.601 0.36 . . . . 0.0 111.748 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.4 t -77.43 -22.74 14.29 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 C-N-CA 122.713 0.405 . . . . 0.0 111.336 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -73.36 -44.22 35.01 Favored Glycine 0 C--N 1.345 1.041 0 CA-C-N 116.505 -0.316 . . . . 0.0 113.245 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -74.48 -32.14 62.45 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 122.576 0.35 . . . . 0.0 111.445 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.649 ' O ' HG12 ' A' ' 21' ' ' ILE . 97.0 mttt -72.37 -39.41 68.06 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.131 179.532 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 83.8 m -71.72 -36.87 70.64 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.948 178.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.566 ' O ' HG22 ' A' ' 23' ' ' VAL . 40.0 mt-10 -70.1 -31.71 69.41 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.141 178.86 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -73.09 -41.64 63.85 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.55 179.263 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.649 HG12 ' O ' ' A' ' 17' ' ' LYS . 39.3 mm -71.41 -27.37 28.65 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.898 178.63 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -71.12 -45.42 49.97 Favored Glycine 0 C--N 1.348 1.197 0 CA-C-N 115.924 -0.58 . . . . 0.0 112.436 178.651 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.566 HG22 ' O ' ' A' ' 19' ' ' GLU . 3.7 m -71.44 -30.63 40.12 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 CA-C-O 120.585 0.231 . . . . 0.0 111.547 179.054 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.448 ' O ' ' HB2' ' A' ' 28' ' ' LEU . 96.3 mttt -74.65 -34.13 62.66 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.959 178.784 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.408 ' HB2' ' O ' ' A' ' 21' ' ' ILE . 2.3 tt -70.12 -41.95 73.27 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 115.921 -0.582 . . . . 0.0 111.0 179.086 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.9 mt -69.82 -38.32 76.52 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.011 179.151 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.462 ' HD2' ' OE1' ' A' ' 31' ' ' GLN . 2.1 t60 -71.41 -31.52 67.34 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.748 179.038 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.505 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 4.9 tp -74.92 -30.47 61.26 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.857 178.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -72.87 -41.02 65.17 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.091 178.663 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -69.89 -37.4 76.02 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.129 178.738 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.462 ' OE1' ' HD2' ' A' ' 27' ' ' HIS . 49.7 mt-30 -74.33 -29.87 61.79 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.527 179.189 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.505 ' HB2' ' O ' ' A' ' 28' ' ' LEU . 2.0 tt -73.57 -39.88 64.32 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.087 179.728 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.1 tt -71.61 -39.21 70.62 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.456 179.129 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -72.35 -28.16 68.43 Favored Glycine 0 C--N 1.344 1.014 0 CA-C-N 115.605 -0.725 . . . . 0.0 112.875 178.808 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -80.89 -31.04 35.37 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 122.586 0.354 . . . . 0.0 111.833 179.325 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 82.6 mtp -80.4 -32.18 37.56 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.653 179.703 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 10.4 t80 -81.27 -41.47 22.12 Favored 'General case' 0 N--CA 1.47 0.554 0 O-C-N 123.399 0.437 . . . . 0.0 111.411 179.766 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 53.7 m -86.72 -24.77 25.04 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 116.152 -0.476 . . . . 0.0 112.003 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 70.3 m-70 63.34 110.03 0.03 OUTLIER 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 123.805 0.842 . . . . 0.0 111.933 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -141.12 163.5 32.8 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.775 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -99.69 -40.43 7.77 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.421 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.73 -28.95 68.83 Favored 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 112.848 0.684 . . . . 0.0 112.848 -179.608 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.444 ' O ' ' HB2' ' A' ' 47' ' ' LEU . 4.3 mm? -67.27 -28.67 68.22 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 112.516 0.562 . . . . 0.0 112.516 -179.534 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 46.8 m-85 -74.82 -34.52 62.37 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 122.39 0.276 . . . . 0.0 111.675 179.621 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 -72.31 -42.36 65.52 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.805 179.219 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 52.1 m -69.26 -34.89 75.47 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.263 178.744 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.444 ' HB2' ' O ' ' A' ' 43' ' ' LEU . 4.5 tp -70.78 -36.62 73.12 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.601 179.484 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 -72.3 -39.3 68.39 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.782 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -71.57 -39.64 60.46 Favored Glycine 0 C--N 1.343 0.962 0 CA-C-N 116.176 -0.465 . . . . 0.0 112.928 179.479 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.489 ' O ' HG22 ' A' ' 54' ' ' VAL . 43.5 mt-10 -71.95 -35.73 69.66 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 122.749 0.42 . . . . 0.0 111.513 179.647 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.401 ' HB2' ' O ' ' A' ' 47' ' ' LEU . 3.8 tp -72.47 -35.7 68.28 Favored 'General case' 0 N--CA 1.47 0.551 0 O-C-N 123.572 0.545 . . . . 0.0 111.253 179.58 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -74.45 -31.41 62.25 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.205 179.096 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 17.2 p -74.5 -36.98 63.25 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.534 179.135 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.489 HG22 ' O ' ' A' ' 50' ' ' GLU . 13.7 m -74.11 -34.18 37.6 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.989 178.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -71.54 -36.98 71.16 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.032 178.778 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -72.98 -33.17 65.66 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.017 178.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 11.5 p -73.78 -35.35 64.94 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.435 179.058 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 20.9 mt -72.92 -36.58 67.27 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.868 178.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.523 ' O ' HG13 ' A' ' 62' ' ' ILE . 9.6 tt0 -69.54 -38.35 77.46 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.636 178.833 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.38 -35.05 75.44 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.781 178.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.464 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 81.7 mtp -66.63 -43.18 85.41 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.5 179.247 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.523 HG13 ' O ' ' A' ' 59' ' ' GLN . 1.2 pt -74.4 -25.96 19.95 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 O-C-N 123.414 0.446 . . . . 0.0 111.817 179.662 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.4 mp -82.95 -20.61 34.92 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.216 178.651 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -86.96 -38.75 16.35 Favored 'General case' 0 N--CA 1.468 0.471 0 N-CA-C 112.305 0.483 . . . . 0.0 112.305 179.593 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.464 ' HG ' ' O ' ' A' ' 61' ' ' MET . 3.3 pp -94.82 -41.77 9.05 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 112.123 0.416 . . . . 0.0 112.123 -179.647 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -102.3 153.77 37.86 Favored Pre-proline 0 CA--C 1.537 0.477 0 O-C-N 123.219 0.325 . . . . 0.0 111.281 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo -79.83 153.92 22.91 Favored 'Trans proline' 0 C--N 1.375 1.934 0 C-N-CA 122.781 2.321 . . . . 0.0 112.795 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 17.0 p -142.01 146.25 35.35 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.01 179.723 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -98.33 143.78 28.43 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.972 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -101.2 152.01 21.16 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.701 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -98.02 149.93 21.93 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.147 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -98.66 -144.91 17.74 Favored Glycine 0 C--N 1.338 0.682 0 CA-C-N 115.831 -0.622 . . . . 0.0 112.546 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -118.78 -41.12 2.81 Favored 'General case' 0 N--CA 1.467 0.411 0 O-C-N 123.638 0.257 . . . . 0.0 111.241 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -97.88 150.0 21.77 Favored 'General case' 0 C--O 1.234 0.288 0 O-C-N 123.341 0.401 . . . . 0.0 111.353 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 52.6 m 62.81 124.83 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 123.964 0.906 . . . . 0.0 112.126 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -126.65 144.07 51.03 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.128 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 54.8 m -106.46 135.6 47.68 Favored 'General case' 0 C--O 1.234 0.277 0 O-C-N 123.708 0.63 . . . . 0.0 110.949 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 88.6 m-85 -98.87 114.05 65.1 Favored Pre-proline 0 CA--C 1.541 0.631 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.819 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 25.6 Cg_exo -64.39 151.71 84.42 Favored 'Trans proline' 0 C--N 1.376 2.001 0 C-N-CA 122.634 2.223 . . . . 0.0 112.991 179.466 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 41.2 p 52.41 107.48 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 124.216 1.006 . . . . 0.0 112.852 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -103.58 131.82 50.38 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.057 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 132.89 -74.8 0.43 Allowed Glycine 0 C--N 1.337 0.62 0 CA-C-N 115.827 -0.624 . . . . 0.0 112.474 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -100.26 146.77 26.51 Favored 'General case' 0 C--O 1.235 0.32 0 O-C-N 123.627 0.251 . . . . 0.0 111.139 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 19.8 mm-40 -100.41 141.06 33.78 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.783 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -124.0 138.75 54.41 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.896 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 18.7 p -139.02 144.47 38.88 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.063 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -128.49 145.11 51.2 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.839 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -100.13 137.55 38.41 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.187 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 12.2 mt -107.86 -42.91 4.58 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.314 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 4.0 m -129.91 157.86 75.57 Favored Pre-proline 0 CA--C 1.545 0.771 0 O-C-N 123.358 0.411 . . . . 0.0 111.308 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_exo -75.43 157.67 40.88 Favored 'Trans proline' 0 C--N 1.375 1.95 0 C-N-CA 122.585 2.19 . . . . 0.0 112.748 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -128.11 131.1 49.03 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.851 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 110.59 -92.29 0.67 Allowed Glycine 0 C--N 1.338 0.677 0 CA-C-N 115.864 -0.607 . . . . 0.0 112.465 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 53.3 m -100.31 144.63 29.1 Favored 'General case' 0 C--O 1.235 0.295 0 C-N-CA 122.329 0.252 . . . . 0.0 110.914 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -107.86 58.97 0.39 Allowed Glycine 0 C--N 1.338 0.688 0 CA-C-N 115.86 -0.609 . . . . 0.0 112.498 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -127.67 131.91 49.75 Favored 'General case' 0 C--O 1.235 0.31 0 O-C-N 123.702 0.296 . . . . 0.0 110.557 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 167.98 145.53 4.58 Favored Glycine 0 C--N 1.336 0.531 0 O-C-N 123.672 0.607 . . . . 0.0 112.652 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -129.09 -38.66 1.6 Allowed 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 122.364 0.265 . . . . 0.0 111.236 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . 0.401 ' O ' ' HG3' ' A' ' 103' ' ' LYS . 41.8 m-80 -92.99 -8.91 41.7 Favored 'General case' 0 N--CA 1.468 0.459 0 O-C-N 123.38 0.425 . . . . 0.0 111.775 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -88.16 -21.12 24.78 Favored 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 111.931 0.345 . . . . 0.0 111.931 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -76.95 -29.95 55.84 Favored 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 112.193 0.442 . . . . 0.0 112.193 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 13.3 mt -86.18 -26.61 25.03 Favored 'General case' 0 N--CA 1.469 0.516 0 O-C-N 123.481 0.488 . . . . 0.0 111.84 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.401 ' HG3' ' O ' ' A' ' 99' ' ' ASN . 96.4 mttt -67.74 -37.46 82.19 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 112.132 0.419 . . . . 0.0 112.132 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -64.52 -38.95 92.81 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 122.783 0.433 . . . . 0.0 111.55 179.562 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 59.0 mttp -74.78 -33.5 62.28 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.271 179.61 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -71.51 -36.41 71.06 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.531 179.426 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 -75.61 -35.46 60.5 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.42 179.282 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . 0.422 ' O ' ' HG3' ' A' ' 112' ' ' GLU . 16.1 t -70.57 -41.44 72.41 Favored 'General case' 0 N--CA 1.471 0.592 0 O-C-N 123.309 0.381 . . . . 0.0 110.991 179.047 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 26.8 mt -70.68 -35.92 73.06 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.147 179.262 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -69.74 -34.43 73.82 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.269 179.01 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -74.44 -29.9 61.67 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.853 178.814 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.422 ' HG3' ' O ' ' A' ' 108' ' ' SER . 45.2 mt-10 -73.44 -38.24 65.58 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.458 178.842 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 13.6 mt -74.34 -34.21 36.08 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.247 179.272 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 52.9 mt-30 -72.64 -34.03 67.01 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.012 178.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 10.4 t80 -72.19 -38.2 69.12 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.614 179.189 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.694 ' O ' HG12 ' A' ' 120' ' ' ILE . 15.1 mt -68.2 -38.4 81.92 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.895 178.713 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 64.1 mttm -68.34 -37.93 81.01 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.33 179.273 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -68.81 -33.71 74.3 Favored 'General case' 0 N--CA 1.47 0.56 0 O-C-N 123.459 0.474 . . . . 0.0 111.425 178.75 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 16.5 mt -71.33 -38.96 71.66 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.789 179.299 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . 0.694 HG12 ' O ' ' A' ' 116' ' ' LEU . 28.5 mm -72.28 -33.66 46.87 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 O-C-N 123.356 0.41 . . . . 0.0 110.443 179.302 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -73.02 -33.57 65.82 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.452 179.259 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -74.94 -34.99 62.16 Favored 'General case' 0 N--CA 1.47 0.557 0 O-C-N 123.515 0.509 . . . . 0.0 111.433 179.493 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 9.9 p -74.87 -34.51 33.34 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.813 0 O-C-N 123.413 0.446 . . . . 0.0 110.606 178.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -71.17 -37.64 72.19 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.369 178.694 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -73.89 -36.56 64.78 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.853 179.504 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -75.35 -40.72 57.91 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 116.035 -0.529 . . . . 0.0 112.065 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 28.1 mmt180 -119.2 130.47 55.51 Favored 'General case' 0 C--O 1.235 0.317 0 O-C-N 123.517 0.51 . . . . 0.0 110.821 179.807 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 152.64 -62.56 0.38 Allowed Glycine 0 C--N 1.339 0.695 0 CA-C-N 115.819 -0.628 . . . . 0.0 112.524 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -128.37 -42.3 1.5 Allowed 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 122.286 0.234 . . . . 0.0 111.179 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -100.23 136.52 40.0 Favored 'General case' 0 N--CA 1.467 0.377 0 O-C-N 123.361 0.413 . . . . 0.0 110.828 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 74.6 mtp180 -113.52 -42.67 3.43 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.192 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 3.9 m -104.74 158.74 31.36 Favored Pre-proline 0 CA--C 1.545 0.754 0 O-C-N 123.405 0.441 . . . . 0.0 111.215 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 6.4 Cg_exo . . . . . 0 C--N 1.376 1.999 0 C-N-CA 122.514 2.142 . . . . 0.0 112.742 179.762 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.255 0 CA-C-O 119.223 -0.765 . . . . 0.0 112.548 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_exo -75.92 143.04 25.81 Favored 'Trans proline' 0 C--N 1.37 1.691 0 C-N-CA 122.954 2.436 . . . . 0.0 112.772 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 93.3 m95 -102.53 131.5 49.21 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.901 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -128.61 -39.99 1.61 Allowed 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.269 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.449 ' O ' HG12 ' A' ' 9' ' ' ILE . 48.0 mt-10 -99.56 149.61 23.08 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.757 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -130.79 -35.35 1.45 Allowed 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.707 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 13.7 t -88.94 -21.22 23.68 Favored 'General case' 0 N--CA 1.469 0.482 0 N-CA-C 112.102 0.408 . . . . 0.0 112.102 -179.634 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 66.9 m-70 -95.33 -15.52 23.04 Favored 'General case' 0 N--CA 1.468 0.438 0 N-CA-C 112.023 0.379 . . . . 0.0 112.023 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.449 HG12 ' O ' ' A' ' 5' ' ' GLU . 2.4 pp -91.88 -5.43 10.77 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 N-CA-C 112.206 0.447 . . . . 0.0 112.206 -179.866 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 5.3 m -89.26 69.11 0.65 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.604 0 CA-C-O 121.444 0.64 . . . . 0.0 111.338 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 52.9 m -138.73 -39.64 0.5 Allowed 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 115.224 -0.898 . . . . 0.0 111.118 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -95.51 -26.56 15.76 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.832 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -84.54 -22.66 30.05 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 122.55 0.34 . . . . 0.0 111.834 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.432 ' CG2' HH21 ' A' ' 127' ' ' ARG . 1.6 m -77.44 -36.07 23.0 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 N-CA-C 112.456 0.539 . . . . 0.0 112.456 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -57.3 -38.34 86.0 Favored Glycine 0 C--N 1.341 0.842 0 O-C-N 123.598 0.561 . . . . 0.0 114.012 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -75.63 -32.53 60.28 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 122.463 0.305 . . . . 0.0 111.286 179.56 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -75.52 -33.98 60.76 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.843 179.057 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.441 ' O ' HG22 ' A' ' 21' ' ' ILE . 48.5 t -72.95 -38.81 66.62 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.718 178.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.573 ' O ' HG22 ' A' ' 23' ' ' VAL . 42.8 mt-10 -70.24 -37.32 74.94 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.408 178.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.3 -38.03 68.83 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.513 179.522 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.441 HG22 ' O ' ' A' ' 18' ' ' CYS . 1.3 tp -72.34 -28.46 28.84 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.792 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.459 179.1 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -73.04 -42.81 42.85 Favored Glycine 0 C--N 1.349 1.266 0 CA-C-N 115.705 -0.68 . . . . 0.0 112.433 178.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.573 HG22 ' O ' ' A' ' 19' ' ' GLU . 2.9 m -71.21 -32.95 49.12 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 122.236 0.214 . . . . 0.0 111.232 178.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -71.61 -37.12 70.97 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.104 178.795 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.5 tp -69.82 -39.01 76.75 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.453 179.289 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.4 mt -69.63 -41.73 75.25 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.809 179.763 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 21.5 m80 -70.75 -31.77 68.7 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.439 179.264 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.452 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 0.8 OUTLIER -74.92 -31.49 61.55 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.355 179.036 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -72.86 -40.86 65.33 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.992 179.018 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -69.96 -37.64 75.87 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.246 178.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -74.4 -28.45 61.1 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.469 179.154 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.452 ' HB2' ' O ' ' A' ' 28' ' ' LEU . 3.6 tt -73.38 -41.5 63.29 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 122.855 0.462 . . . . 0.0 110.984 179.577 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.46 ' O ' ' HD2' ' A' ' 37' ' ' TYR . 8.8 mt -71.55 -37.53 71.09 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.705 178.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -71.97 -29.3 67.19 Favored Glycine 0 C--N 1.344 0.989 0 CA-C-N 115.722 -0.672 . . . . 0.0 112.465 178.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -80.99 -28.62 35.48 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 122.709 0.404 . . . . 0.0 111.582 178.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 36.5 mtt -78.21 -34.93 49.08 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 116.252 -0.431 . . . . 0.0 112.138 179.695 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.46 ' HD2' ' O ' ' A' ' 33' ' ' LEU . 16.0 m-85 -77.0 -33.21 57.6 Favored 'General case' 0 N--CA 1.472 0.66 0 O-C-N 123.385 0.428 . . . . 0.0 112.028 179.737 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 69.8 p -86.57 -22.68 26.15 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.867 179.734 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 65.9 m80 63.01 104.47 0.03 OUTLIER 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 123.895 0.878 . . . . 0.0 111.811 -179.703 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -143.73 161.86 37.49 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.797 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -101.16 -40.77 7.02 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.574 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.92 -38.18 85.72 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 112.705 0.632 . . . . 0.0 112.705 -179.646 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 6.4 mp -69.87 -28.85 65.99 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 112.365 0.505 . . . . 0.0 112.365 -179.628 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -70.88 -37.26 73.04 Favored 'General case' 0 N--CA 1.472 0.659 0 O-C-N 123.262 0.351 . . . . 0.0 111.173 179.141 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 54.9 mt-30 -72.32 -37.62 68.87 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.561 178.782 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 16.3 t -69.12 -37.83 78.57 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.995 178.586 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 19.8 mt -70.72 -33.73 71.16 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.75 179.207 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -71.46 -41.11 69.81 Favored 'General case' 0 N--CA 1.474 0.759 0 O-C-N 123.414 0.447 . . . . 0.0 111.406 179.415 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -71.5 -37.84 62.18 Favored Glycine 0 C--N 1.344 1.02 0 CA-C-N 116.055 -0.52 . . . . 0.0 112.542 179.094 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.57 ' O ' HG23 ' A' ' 54' ' ' VAL . 41.6 mt-10 -71.05 -35.73 72.04 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 122.787 0.435 . . . . 0.0 111.022 179.261 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.8 tp -71.2 -35.01 71.39 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.853 179.167 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 54.0 mt-30 -73.22 -31.98 64.48 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.261 179.013 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 18.6 p -75.1 -35.9 61.72 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.397 179.055 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.57 HG23 ' O ' ' A' ' 50' ' ' GLU . 85.1 t -74.11 -34.42 38.3 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.31 179.138 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -74.23 -34.62 63.72 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.112 179.034 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -73.04 -34.39 66.28 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.96 178.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 18.5 p -73.48 -36.36 65.79 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.991 178.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.7 tt -69.98 -38.52 76.07 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.644 179.114 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 11.9 mm100 -69.66 -38.63 77.17 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.143 179.055 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -70.32 -29.41 66.12 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 115.8 -0.637 . . . . 0.0 111.29 178.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.546 ' O ' ' HB2' ' A' ' 65' ' ' LEU . 5.6 tmm? -73.4 -43.27 60.88 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.096 179.315 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.426 ' H ' HG13 ' A' ' 62' ' ' ILE . 2.2 pp -75.09 -24.7 17.89 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.679 179.613 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.9 tp -82.3 -30.91 30.27 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.663 178.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 54.0 mt-30 -90.4 -15.73 30.43 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.294 179.265 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.546 ' HB2' ' O ' ' A' ' 61' ' ' MET . 2.3 tt -73.08 -34.78 66.42 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 122.81 0.444 . . . . 0.0 111.495 179.555 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 15.7 tt0 -94.76 110.27 48.5 Favored Pre-proline 0 CA--C 1.545 0.757 0 O-C-N 123.539 0.524 . . . . 0.0 110.599 179.777 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 25.0 Cg_exo -64.35 -34.9 53.21 Favored 'Trans proline' 0 C--N 1.374 1.901 0 C-N-CA 122.586 2.19 . . . . 0.0 113.483 179.671 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 7.5 t -114.51 144.42 43.38 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.104 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 59.1 mttp -114.88 134.49 55.1 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.749 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -128.62 -43.26 1.41 Allowed 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.233 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -103.11 144.38 31.38 Favored 'General case' 0 C--O 1.236 0.347 0 O-C-N 123.376 0.422 . . . . 0.0 111.227 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -106.96 -57.07 0.61 Allowed Glycine 0 C--N 1.336 0.564 0 O-C-N 123.664 0.603 . . . . 0.0 112.464 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -100.84 133.55 45.15 Favored 'General case' 0 C--O 1.236 0.367 0 O-C-N 123.636 0.256 . . . . 0.0 110.831 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -99.4 -42.41 6.98 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.522 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 52.8 m -127.74 141.55 51.56 Favored 'General case' 0 C--O 1.234 0.286 0 O-C-N 123.405 0.44 . . . . 0.0 110.991 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -126.11 -42.27 1.88 Allowed 'General case' 0 C--O 1.236 0.353 0 O-C-N 123.662 0.601 . . . . 0.0 111.419 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 40.2 p -117.61 150.72 38.55 Favored 'General case' 0 C--O 1.236 0.348 0 O-C-N 123.355 0.409 . . . . 0.0 110.984 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 89.6 m-85 -97.74 157.92 33.85 Favored Pre-proline 0 CA--C 1.539 0.555 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.007 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 6.8 Cg_exo -74.12 -34.44 4.96 Favored 'Trans proline' 0 C--N 1.377 2.054 0 C-N-CA 122.656 2.237 . . . . 0.0 113.182 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 18.9 p -98.09 144.32 27.7 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.18 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -125.8 -42.83 1.89 Allowed 'General case' 0 C--O 1.235 0.312 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.469 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -154.65 83.45 0.15 Allowed Glycine 0 C--N 1.341 0.816 0 O-C-N 123.411 0.445 . . . . 0.0 112.567 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -125.96 137.83 53.72 Favored 'General case' 0 C--O 1.235 0.336 0 C-N-CA 122.299 0.24 . . . . 0.0 111.152 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 54.7 mt-30 -128.62 -43.02 1.42 Allowed 'General case' 0 C--O 1.236 0.368 0 O-C-N 123.634 0.584 . . . . 0.0 111.187 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -130.08 137.3 50.12 Favored 'General case' 0 N--CA 1.465 0.296 0 O-C-N 123.287 0.367 . . . . 0.0 110.91 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 5.7 t -138.32 -43.96 0.5 Allowed 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 115.813 -0.631 . . . . 0.0 111.275 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -129.93 145.96 51.63 Favored 'General case' 0 C--O 1.235 0.338 0 O-C-N 123.518 0.511 . . . . 0.0 110.886 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -99.88 126.32 45.99 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.226 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 11.8 mt -131.57 -42.67 1.03 Allowed 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.135 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 3.2 m -139.5 105.63 7.06 Favored Pre-proline 0 CA--C 1.547 0.833 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.197 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 25.9 Cg_exo -64.11 -34.04 59.24 Favored 'Trans proline' 0 C--N 1.375 1.922 0 C-N-CA 122.637 2.225 . . . . 0.0 113.224 179.552 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 84.1 mtm180 -128.84 133.81 48.11 Favored 'General case' 0 N--CA 1.465 0.278 0 O-C-N 123.392 0.433 . . . . 0.0 110.863 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -100.87 149.87 18.59 Favored Glycine 0 C--N 1.336 0.558 0 O-C-N 123.716 0.635 . . . . 0.0 112.547 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 41.8 p -112.41 146.08 39.01 Favored 'General case' 0 C--O 1.236 0.347 0 C-N-CA 122.318 0.247 . . . . 0.0 110.956 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 149.95 -120.3 1.13 Allowed Glycine 0 C--N 1.337 0.621 0 CA-C-N 115.884 -0.598 . . . . 0.0 112.428 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -99.19 -42.3 7.11 Favored 'General case' 0 N--CA 1.466 0.327 0 C-N-CA 122.319 0.248 . . . . 0.0 111.231 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 166.4 -100.01 0.17 Allowed Glycine 0 C--N 1.34 0.773 0 O-C-N 123.427 0.454 . . . . 0.0 112.469 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -100.55 142.51 31.92 Favored 'General case' 0 N--CA 1.464 0.271 0 C-N-CA 122.341 0.256 . . . . 0.0 110.831 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -118.69 121.55 40.4 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.817 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -132.21 -36.04 1.16 Allowed 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.046 179.799 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -76.87 -29.69 55.92 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.692 179.642 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 15.5 mt -84.67 -27.23 27.23 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.74 179.798 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -74.67 -39.56 61.95 Favored 'General case' 0 N--CA 1.473 0.686 0 O-C-N 123.256 0.347 . . . . 0.0 111.753 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -64.66 -39.53 93.84 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 122.804 0.442 . . . . 0.0 111.591 179.404 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.467 ' O ' HD23 ' A' ' 109' ' ' LEU . 97.1 mttt -78.16 -31.55 49.77 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.502 179.834 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -71.53 -40.1 70.3 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.551 179.191 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -75.86 -36.84 59.44 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.888 179.59 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 74.1 m -70.28 -41.74 73.0 Favored 'General case' 0 N--CA 1.473 0.69 0 O-C-N 123.228 0.33 . . . . 0.0 111.287 179.397 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.467 HD23 ' O ' ' A' ' 105' ' ' LYS . 4.3 mm? -72.31 -33.36 67.32 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.282 179.264 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -69.72 -35.3 74.91 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.881 178.473 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.443 ' O ' ' HD2' ' A' ' 115' ' ' TYR . 66.0 mttm -73.83 -30.69 62.84 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.645 178.685 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.48 ' O ' HD12 ' A' ' 116' ' ' LEU . 38.5 mt-10 -71.43 -38.32 71.37 Favored 'General case' 0 N--CA 1.471 0.623 0 O-C-N 123.57 0.544 . . . . 0.0 111.172 178.711 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 15.6 mt -73.91 -33.22 36.22 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.109 178.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 -70.77 -36.35 73.02 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.147 178.704 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . 0.443 ' HD2' ' O ' ' A' ' 111' ' ' LYS . 4.0 m-85 -72.31 -36.04 68.79 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.7 178.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.48 HD12 ' O ' ' A' ' 112' ' ' GLU . 1.0 OUTLIER -67.31 -39.83 85.94 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.094 178.62 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 27.1 tttm -70.01 -37.19 75.58 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.99 179.608 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -68.97 -32.53 72.18 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.407 178.787 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 13.0 mt -72.78 -40.12 66.18 Favored 'General case' 0 N--CA 1.471 0.595 0 O-C-N 123.382 0.426 . . . . 0.0 111.525 179.43 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 11.5 mt -72.32 -33.31 45.61 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.215 178.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -73.04 -31.91 64.74 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.574 179.054 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -74.99 -37.2 61.92 Favored 'General case' 0 N--CA 1.471 0.586 0 O-C-N 123.4 0.437 . . . . 0.0 111.313 179.287 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.408 HG22 HH11 ' A' ' 127' ' ' ARG . 9.4 p -72.29 -36.35 55.29 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.907 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.636 179.047 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -71.16 -37.88 72.21 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.338 178.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -73.89 -30.23 62.5 Favored 'General case' 0 N--CA 1.471 0.625 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.778 179.379 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -74.99 -39.1 61.43 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.771 179.516 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . 0.432 HH21 ' CG2' ' A' ' 14' ' ' VAL . 10.2 mtp-105 -94.13 129.36 40.73 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.737 179.383 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -142.77 158.4 27.07 Favored Glycine 0 C--N 1.338 0.662 0 CA-C-N 115.957 -0.565 . . . . 0.0 112.818 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 59.0 mttp -129.03 130.78 47.02 Favored 'General case' 0 C--O 1.235 0.301 0 C-N-CA 122.376 0.27 . . . . 0.0 110.725 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -113.2 -41.62 3.67 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.272 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -99.24 130.14 45.52 Favored 'General case' 0 N--CA 1.466 0.36 0 O-C-N 123.412 0.445 . . . . 0.0 110.925 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 3.4 m -104.55 107.28 57.55 Favored Pre-proline 0 CA--C 1.545 0.777 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.318 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_exo . . . . . 0 C--N 1.375 1.962 0 C-N-CA 122.607 2.205 . . . . 0.0 112.916 179.51 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.185 0 CA-C-O 119.193 -0.782 . . . . 0.0 112.541 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 5.5 Cg_exo -75.6 -35.36 2.78 Favored 'Trans proline' 0 C--N 1.369 1.645 0 C-N-CA 123.056 2.504 . . . . 0.0 113.06 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 14.2 t-105 -124.54 125.36 44.07 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.631 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -133.07 -39.85 0.93 Allowed 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.292 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -97.54 152.32 19.13 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.019 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -95.65 119.85 34.88 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.038 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 52.3 m -127.77 -46.02 1.43 Allowed 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.717 179.675 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 68.8 m-70 -130.57 93.49 3.45 Favored 'General case' 0 C--O 1.238 0.477 0 CA-C-O 121.264 0.554 . . . . 0.0 110.099 179.325 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.1 pp -143.42 5.19 0.34 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.574 0 CA-C-N 115.461 -0.79 . . . . 0.0 111.892 -179.534 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.502 ' HB ' ' NH2' ' A' ' 127' ' ' ARG . 4.3 m -88.62 -34.97 7.36 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.947 -179.871 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 52.5 m -89.88 -13.54 36.2 Favored 'General case' 0 CA--C 1.537 0.446 0 O-C-N 123.428 0.455 . . . . 0.0 112.022 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -96.5 -29.01 14.14 Favored 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 112.203 0.446 . . . . 0.0 112.203 -179.63 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -84.41 -22.02 30.58 Favored 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 112.124 0.416 . . . . 0.0 112.124 -179.696 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.4 m -71.72 -37.4 62.55 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 N-CA-C 112.673 0.62 . . . . 0.0 112.673 -179.803 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.402 ' O ' ' HB2' ' A' ' 19' ' ' GLU . . . -59.35 -39.37 94.65 Favored Glycine 0 C--N 1.342 0.916 0 CA-C-N 116.24 -0.436 . . . . 0.0 113.829 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -76.68 -35.58 57.82 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 122.553 0.341 . . . . 0.0 111.489 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.486 ' HD3' ' SD ' ' A' ' 61' ' ' MET . 97.4 mttt -74.39 -34.16 63.23 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.038 179.303 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.423 ' O ' HG22 ' A' ' 21' ' ' ILE . 91.8 m -74.54 -36.21 63.14 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.729 178.852 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.572 ' O ' HG22 ' A' ' 23' ' ' VAL . 9.3 tt0 -70.33 -36.53 74.32 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.988 178.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.53 -38.61 68.0 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.519 179.275 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.423 HG22 ' O ' ' A' ' 18' ' ' CYS . 1.7 tp -72.31 -27.6 26.84 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.816 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.391 178.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -73.19 -43.64 38.51 Favored Glycine 0 C--N 1.348 1.219 0 CA-C-N 115.774 -0.648 . . . . 0.0 112.355 178.791 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.572 HG22 ' O ' ' A' ' 19' ' ' GLU . 2.8 m -71.06 -31.86 46.24 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 CA-C-O 120.63 0.252 . . . . 0.0 111.019 178.81 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 38.0 mttp -73.9 -35.13 64.63 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.929 178.436 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.478 ' O ' ' HB2' ' A' ' 29' ' ' GLU . 2.6 tt -70.01 -37.37 75.65 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 123.057 0.543 . . . . 0.0 111.096 179.231 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.4 mt -73.96 -36.87 64.63 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.467 179.386 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 8.5 t-80 -74.12 -35.85 64.17 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.893 179.202 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.451 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 2.6 tt -74.98 -30.55 61.21 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.809 179.199 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.533 ' O ' HD23 ' A' ' 33' ' ' LEU . 12.4 tt0 -73.97 -38.68 64.1 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.599 179.197 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -69.99 -38.9 76.13 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.812 178.776 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 53.6 mt-30 -74.07 -28.67 61.51 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.52 179.418 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.555 ' O ' ' HB2' ' A' ' 36' ' ' MET . 2.0 tt -75.43 -37.92 60.1 Favored 'General case' 0 N--CA 1.471 0.609 0 O-C-N 123.43 0.457 . . . . 0.0 111.079 179.537 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.533 HD23 ' O ' ' A' ' 29' ' ' GLU . 3.8 mm? -71.54 -39.19 70.87 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.812 179.078 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -71.79 -33.33 63.21 Favored Glycine 0 C--N 1.344 0.995 0 CA-C-N 115.682 -0.69 . . . . 0.0 112.438 178.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -81.22 -22.53 38.73 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 122.617 0.367 . . . . 0.0 111.699 178.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.555 ' HB2' ' O ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -79.79 -38.43 33.07 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.415 179.659 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.431 ' HD1' ' O ' ' A' ' 33' ' ' LEU . 33.7 m-85 -81.11 -35.35 31.74 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.962 179.49 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 14.6 t -86.53 -32.36 20.77 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.47 179.686 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 9.2 t-80 61.5 109.85 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 123.901 0.881 . . . . 0.0 111.822 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -143.02 165.38 27.54 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.387 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -93.1 -40.24 10.62 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.492 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.95 -40.23 87.46 Favored 'General case' 0 N--CA 1.473 0.675 0 N-CA-C 112.741 0.645 . . . . 0.0 112.741 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 22.0 mt -71.76 -30.02 65.12 Favored 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 112.271 0.471 . . . . 0.0 112.271 -179.563 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -70.86 -37.14 73.09 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 122.429 0.291 . . . . 0.0 111.473 179.609 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -72.76 -40.16 66.21 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.511 178.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 56.2 m -69.08 -37.89 78.7 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.24 178.648 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.472 ' O ' ' HB2' ' A' ' 51' ' ' LEU . 15.5 mt -70.97 -33.67 70.66 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.937 179.407 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -72.65 -39.64 67.0 Favored 'General case' 0 N--CA 1.472 0.674 0 O-C-N 123.382 0.426 . . . . 0.0 111.547 179.654 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -71.57 -37.31 62.11 Favored Glycine 0 C--N 1.343 0.965 0 CA-C-N 116.187 -0.461 . . . . 0.0 112.52 179.097 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -73.04 -35.31 66.71 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 122.963 0.505 . . . . 0.0 110.96 179.174 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.472 ' HB2' ' O ' ' A' ' 47' ' ' LEU . 2.3 tt -71.17 -35.19 71.54 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.017 179.354 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -73.93 -35.0 64.54 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.098 179.006 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 19.2 p -73.16 -34.03 65.82 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.477 178.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.427 HG12 ' O ' ' A' ' 51' ' ' LEU . 6.9 p -75.37 -34.26 29.87 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.862 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.626 179.423 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 44.9 mttm -73.68 -32.93 64.21 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.024 178.698 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -72.75 -38.25 67.44 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.473 178.703 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 12.7 p -71.1 -35.94 71.99 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.184 178.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.5 tt -71.24 -36.27 71.75 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.624 179.248 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.439 ' O ' HG13 ' A' ' 62' ' ' ILE . 50.0 mt-30 -69.44 -37.33 77.33 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.962 178.771 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.73 -34.09 73.36 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.186 178.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.486 ' SD ' ' HD3' ' A' ' 17' ' ' LYS . 38.5 mmm -69.9 -41.01 75.26 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 115.815 -0.629 . . . . 0.0 111.602 179.072 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.439 HG13 ' O ' ' A' ' 59' ' ' GLN . 1.7 pp -75.62 -27.26 18.72 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 CA-C-N 116.297 -0.411 . . . . 0.0 112.092 179.628 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 23.4 mt -79.32 -30.73 42.91 Favored 'General case' 0 N--CA 1.471 0.625 0 O-C-N 123.343 0.402 . . . . 0.0 111.274 179.063 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 4.4 tp60 -83.79 -30.27 26.71 Favored 'General case' 0 CA--C 1.537 0.456 0 O-C-N 123.487 0.492 . . . . 0.0 111.119 179.213 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.404 ' O ' ' HD3' ' A' ' 67' ' ' PRO . 16.4 mt -103.23 66.88 0.91 Allowed 'General case' 0 C--O 1.238 0.469 0 CA-C-O 121.412 0.625 . . . . 0.0 110.304 179.664 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 54.9 mt-30 -96.11 104.41 16.95 Favored Pre-proline 0 CA--C 1.543 0.693 0 CA-C-N 115.315 -0.857 . . . . 0.0 111.045 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.404 ' HD3' ' O ' ' A' ' 65' ' ' LEU . 14.1 Cg_exo -70.84 156.61 60.19 Favored 'Trans proline' 0 C--N 1.375 1.935 0 C-N-CA 122.555 2.17 . . . . 0.0 112.624 179.293 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 5.5 t -105.49 116.64 32.29 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.143 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -134.79 148.22 50.15 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.792 179.802 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -100.47 141.17 33.7 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.872 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.468 ' HB1' ' OE1' ' A' ' 73' ' ' GLU . . . -100.75 149.45 23.8 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.13 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -117.2 92.3 0.55 Allowed Glycine 0 C--N 1.337 0.636 0 CA-C-N 115.841 -0.618 . . . . 0.0 112.577 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.468 ' OE1' ' HB1' ' A' ' 71' ' ' ALA . 2.2 mp0 -111.3 145.38 38.91 Favored 'General case' 0 C--O 1.234 0.249 0 O-C-N 123.662 0.271 . . . . 0.0 110.797 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -116.5 -42.14 3.03 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.504 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 16.2 t -100.14 144.68 28.88 Favored 'General case' 0 C--O 1.235 0.317 0 O-C-N 123.407 0.442 . . . . 0.0 110.77 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -99.97 -42.21 6.86 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.452 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 54.1 m -100.01 132.0 45.64 Favored 'General case' 0 C--O 1.235 0.319 0 O-C-N 123.409 0.443 . . . . 0.0 110.906 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 36.1 p90 -128.8 158.12 73.33 Favored Pre-proline 0 CA--C 1.544 0.748 0 O-C-N 123.674 0.609 . . . . 0.0 111.019 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 7.5 Cg_exo -74.16 148.45 39.44 Favored 'Trans proline' 0 C--N 1.376 2.007 0 C-N-CA 122.493 2.129 . . . . 0.0 112.721 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 18.9 p -138.18 138.78 38.9 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.057 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -126.02 145.49 50.29 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.125 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -179.67 -141.1 4.42 Favored Glycine 0 C--N 1.338 0.643 0 O-C-N 123.701 0.625 . . . . 0.0 112.427 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -100.6 135.98 41.19 Favored 'General case' 0 C--O 1.235 0.29 0 O-C-N 123.624 0.25 . . . . 0.0 111.063 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -128.66 -42.86 1.42 Allowed 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.299 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -121.73 -42.72 2.4 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.963 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 18.6 p -99.13 137.52 37.53 Favored 'General case' 0 N--CA 1.465 0.29 0 O-C-N 123.394 0.434 . . . . 0.0 111.13 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -103.75 144.49 31.4 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.813 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -101.99 142.98 32.43 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.131 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 5.8 mp -108.12 147.8 30.74 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.87 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 3.2 m -125.4 104.37 28.45 Favored Pre-proline 0 CA--C 1.545 0.781 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.243 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo -65.11 150.76 87.39 Favored 'Trans proline' 0 C--N 1.375 1.955 0 C-N-CA 122.662 2.241 . . . . 0.0 113.028 179.431 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -119.3 -42.85 2.65 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.257 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 112.33 139.1 7.53 Favored Glycine 0 C--N 1.341 0.827 0 O-C-N 123.437 0.461 . . . . 0.0 112.508 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 40.5 p -127.75 146.41 50.59 Favored 'General case' 0 C--O 1.236 0.347 0 O-C-N 123.638 0.258 . . . . 0.0 110.983 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 108.19 159.55 20.16 Favored Glycine 0 C--N 1.337 0.584 0 CA-C-N 115.894 -0.593 . . . . 0.0 112.674 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -98.92 146.39 26.04 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 122.266 0.226 . . . . 0.0 110.844 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -143.68 -164.96 10.6 Favored Glycine 0 C--N 1.337 0.59 0 CA-C-N 115.818 -0.628 . . . . 0.0 112.839 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -125.61 -38.46 2.24 Favored 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 122.359 0.264 . . . . 0.0 111.257 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 42.3 m-80 -93.0 -10.62 35.61 Favored 'General case' 0 N--CA 1.468 0.459 0 O-C-N 123.472 0.483 . . . . 0.0 111.757 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -89.14 -26.65 21.19 Favored 'General case' 0 N--CA 1.47 0.548 0 O-C-N 123.23 0.331 . . . . 0.0 111.697 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -76.84 -29.88 56.09 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 112.248 0.462 . . . . 0.0 112.248 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 12.3 mt -83.85 -26.69 29.27 Favored 'General case' 0 N--CA 1.47 0.56 0 O-C-N 123.463 0.477 . . . . 0.0 111.961 -179.672 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -72.63 -37.93 67.89 Favored 'General case' 0 N--CA 1.473 0.706 0 N-CA-C 112.011 0.375 . . . . 0.0 112.011 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -64.61 -41.38 96.24 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 122.719 0.408 . . . . 0.0 111.603 179.533 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -74.94 -34.27 62.07 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 115.954 -0.567 . . . . 0.0 111.396 179.751 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -71.43 -37.81 71.41 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.707 179.331 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -75.67 -33.22 60.4 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.606 179.522 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 68.8 m -72.89 -38.96 66.77 Favored 'General case' 0 N--CA 1.471 0.595 0 O-C-N 123.293 0.371 . . . . 0.0 111.382 179.125 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 21.3 mt -75.82 -31.68 59.49 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.322 179.541 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.403 ' HA ' HG22 ' A' ' 113' ' ' ILE . . . -73.82 -36.83 64.99 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.347 179.227 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -74.71 -34.69 62.65 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.95 179.148 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.507 ' O ' ' HB2' ' A' ' 116' ' ' LEU . 40.2 mt-10 -73.91 -32.61 63.62 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.591 178.855 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.403 HG22 ' HA ' ' A' ' 110' ' ' ALA . 3.3 tp -77.27 -33.34 19.85 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.761 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.802 179.36 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -73.7 -36.93 65.3 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.884 178.721 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -72.76 -35.95 67.58 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.08 178.735 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.623 ' O ' HG12 ' A' ' 120' ' ' ILE . 0.2 OUTLIER -66.29 -40.23 89.89 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.657 178.828 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -66.06 -44.09 85.52 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.033 179.111 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . 0.456 ' O ' ' HB2' ' A' ' 122' ' ' GLU . 10.4 m-20 -68.9 -24.86 64.36 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.99 178.358 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.543 ' O ' HG22 ' A' ' 123' ' ' VAL . 1.2 tt -73.32 -38.9 65.64 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.11 179.288 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . 0.623 HG12 ' O ' ' A' ' 116' ' ' LEU . 26.6 mm -71.96 -37.82 62.23 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.11 179.065 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -72.7 -28.36 62.63 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.376 179.075 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . 0.456 ' HB2' ' O ' ' A' ' 118' ' ' ASP . 11.3 tt0 -75.93 -39.17 56.69 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.207 179.506 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.543 HG22 ' O ' ' A' ' 119' ' ' LEU . 5.8 m -73.62 -33.37 38.61 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 O-C-N 123.247 0.342 . . . . 0.0 110.946 178.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 37.7 ttt180 -70.92 -38.99 72.94 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.835 178.678 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -74.09 -30.45 62.36 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.645 179.119 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -75.0 -37.83 61.73 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 116.202 -0.454 . . . . 0.0 112.131 179.806 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . 0.502 ' NH2' ' HB ' ' A' ' 10' ' ' VAL . 17.8 mmm180 -92.22 126.37 37.28 Favored 'General case' 0 N--CA 1.466 0.345 0 O-C-N 123.286 0.366 . . . . 0.0 110.897 179.801 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -168.33 -34.48 0.02 OUTLIER Glycine 0 C--N 1.337 0.596 0 CA-C-N 115.821 -0.627 . . . . 0.0 113.03 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 98.1 mttt 72.01 -43.57 0.57 Allowed 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 124.432 1.093 . . . . 0.0 112.612 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -92.47 -41.34 10.33 Favored 'General case' 0 N--CA 1.469 0.525 0 O-C-N 123.235 0.334 . . . . 0.0 111.31 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 70.86 -51.87 0.68 Allowed 'General case' 0 N--CA 1.487 1.422 0 C-N-CA 124.478 1.111 . . . . 0.0 112.406 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 10.9 p -108.44 135.57 19.98 Favored Pre-proline 0 CA--C 1.553 1.061 0 CA-C-O 119.172 -0.442 . . . . 0.0 110.562 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_exo . . . . . 0 C--N 1.377 2.067 0 C-N-CA 122.474 2.116 . . . . 0.0 112.841 179.603 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.205 0 CA-C-O 119.062 -0.855 . . . . 0.0 112.617 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 7.2 Cg_exo -74.36 -36.32 3.21 Favored 'Trans proline' 0 C--N 1.371 1.759 0 C-N-CA 122.853 2.369 . . . . 0.0 113.035 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 97.8 m95 62.9 125.62 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 123.986 0.915 . . . . 0.0 111.967 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 54.4 tttt -100.75 136.98 39.75 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.701 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -107.38 146.05 32.13 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.819 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -113.99 121.02 42.63 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.193 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 52.1 m -133.83 -42.4 0.83 Allowed 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.237 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 67.8 m-70 -119.88 -22.44 6.78 Favored 'General case' 0 N--CA 1.466 0.374 0 O-C-N 123.48 0.488 . . . . 0.0 111.591 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.477 ' H ' HG13 ' A' ' 9' ' ' ILE . 2.3 pp -89.39 36.79 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 CA-C-O 121.083 0.468 . . . . 0.0 111.681 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 4.3 m -87.45 4.92 3.99 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 CA-C-N 115.751 -0.658 . . . . 0.0 112.238 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 13.9 t -101.91 -16.0 16.67 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.777 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -95.93 -30.73 13.47 Favored 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 112.182 0.438 . . . . 0.0 112.182 -179.52 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -83.32 -22.12 33.0 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 112.378 0.51 . . . . 0.0 112.378 -179.734 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.7 m -71.89 -38.83 66.19 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 N-CA-C 112.533 0.568 . . . . 0.0 112.533 -179.779 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -65.67 -41.47 95.9 Favored Glycine 0 C--N 1.341 0.832 0 O-C-N 123.472 0.483 . . . . 0.0 113.633 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -72.38 -39.43 68.01 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 122.516 0.326 . . . . 0.0 111.323 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.659 ' O ' HG12 ' A' ' 21' ' ' ILE . 96.9 mttt -70.19 -34.84 73.44 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.041 179.436 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 47.4 t -70.95 -36.71 72.69 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.714 178.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.559 ' O ' HG22 ' A' ' 23' ' ' VAL . 41.3 mt-10 -69.83 -31.81 69.88 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.796 178.59 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -71.81 -39.94 69.5 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.314 178.756 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.659 HG12 ' O ' ' A' ' 17' ' ' LYS . 36.4 mm -71.91 -27.58 27.92 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.932 178.62 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -71.73 -44.36 48.54 Favored Glycine 0 C--N 1.346 1.104 0 O-C-N 123.587 0.555 . . . . 0.0 112.554 178.74 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.559 HG22 ' O ' ' A' ' 19' ' ' GLU . 2.9 m -71.22 -33.0 49.24 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 CA-C-O 120.579 0.228 . . . . 0.0 111.332 179.085 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.4 ' O ' ' HB2' ' A' ' 28' ' ' LEU . 96.8 mttt -73.73 -33.69 64.44 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.861 178.796 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.425 ' HB2' ' O ' ' A' ' 21' ' ' ILE . 4.9 tp -70.03 -39.8 75.54 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.937 179.042 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.7 mt -70.01 -40.27 75.33 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.211 179.188 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 6.4 t-80 -70.08 -32.52 70.63 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.609 178.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.489 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 4.7 tp -74.76 -29.46 61.14 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.636 178.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -72.13 -40.37 68.13 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.515 179.087 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -69.7 -38.08 76.82 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.722 178.616 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 -74.19 -25.21 59.56 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.951 178.701 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.489 ' HB2' ' O ' ' A' ' 28' ' ' LEU . 3.5 tt -74.16 -40.11 62.79 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.722 179.172 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.438 ' O ' ' HD1' ' A' ' 37' ' ' TYR . 4.9 tp -71.15 -39.18 72.1 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.416 179.034 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -72.05 -29.98 66.07 Favored Glycine 0 C--N 1.342 0.897 0 CA-C-N 115.674 -0.693 . . . . 0.0 112.978 179.043 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -81.26 -29.33 34.41 Favored 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 112.004 0.372 . . . . 0.0 112.004 179.581 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 37.6 mtt -80.58 -34.66 35.1 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.438 ' HD1' ' O ' ' A' ' 33' ' ' LEU . 25.4 m-85 -81.21 -38.79 26.43 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 111.96 0.356 . . . . 0.0 111.96 179.716 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 54.9 m -86.69 -8.67 57.22 Favored 'General case' 0 N--CA 1.469 0.516 0 O-C-N 123.398 0.436 . . . . 0.0 112.049 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 29.8 p80 46.37 102.63 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.596 0 C-N-CA 124.678 1.191 . . . . 0.0 113.247 -179.68 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -135.88 160.36 38.84 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.827 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -98.94 -39.92 8.33 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.592 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.84 -33.77 76.34 Favored 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 112.84 0.682 . . . . 0.0 112.84 -179.745 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.568 ' O ' ' HB2' ' A' ' 47' ' ' LEU . 4.8 mt -72.41 -28.5 63.02 Favored 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 -179.72 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -74.95 -36.71 62.1 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 122.401 0.28 . . . . 0.0 111.398 179.32 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 19.6 mm-40 -72.07 -40.92 67.93 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.593 179.228 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 16.1 t -69.15 -35.04 75.92 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.917 178.621 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.568 ' HB2' ' O ' ' A' ' 43' ' ' LEU . 0.2 OUTLIER -70.64 -34.38 72.0 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.389 179.135 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 53.2 mt-30 -71.77 -39.9 69.65 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.28 179.305 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -71.42 -37.8 62.53 Favored Glycine 0 C--N 1.343 0.954 0 CA-C-N 116.129 -0.487 . . . . 0.0 112.642 179.137 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.594 ' O ' HG23 ' A' ' 54' ' ' VAL . 42.3 mt-10 -71.32 -35.9 71.39 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 122.828 0.451 . . . . 0.0 111.071 179.214 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.6 tp -71.38 -35.06 70.95 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.929 179.185 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 11.7 mm100 -72.97 -32.56 65.28 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.196 178.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 18.5 p -73.98 -36.26 64.53 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.602 178.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.594 HG23 ' O ' ' A' ' 50' ' ' GLU . 78.3 t -73.5 -34.25 41.91 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.29 178.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -72.07 -36.66 69.63 Favored 'General case' 0 N--CA 1.471 0.625 0 O-C-N 123.389 0.43 . . . . 0.0 111.092 178.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -72.82 -32.76 65.74 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.141 178.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 16.5 p -73.71 -35.52 65.14 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.171 178.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 21.3 mt -71.2 -38.42 72.08 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.894 178.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.451 ' O ' HG13 ' A' ' 62' ' ' ILE . 47.2 mt-30 -69.49 -37.62 77.31 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.69 178.572 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.455 ' O ' ' HB2' ' A' ' 64' ' ' GLN . . . -69.89 -30.66 68.15 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.049 178.834 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.432 ' O ' HD12 ' A' ' 65' ' ' LEU . 82.8 mtp -71.64 -43.69 65.68 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.324 178.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.451 HG13 ' O ' ' A' ' 59' ' ' GLN . 1.4 pt -75.22 -22.88 16.87 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.687 179.427 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.406 ' HA ' ' NZ ' ' A' ' 69' ' ' LYS . 2.8 tt -86.72 -25.39 24.76 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.18 179.157 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.455 ' HB2' ' O ' ' A' ' 60' ' ' ALA . 3.8 tp60 -89.4 -26.92 20.76 Favored 'General case' 0 CA--C 1.539 0.521 0 O-C-N 123.362 0.413 . . . . 0.0 111.47 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.553 ' O ' ' HD3' ' A' ' 67' ' ' PRO . 6.7 mt -79.28 -32.63 43.66 Favored 'General case' 0 N--CA 1.471 0.612 0 N-CA-C 111.905 0.335 . . . . 0.0 111.905 179.808 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -97.47 98.41 5.0 Favored Pre-proline 0 CA--C 1.544 0.746 0 O-C-N 123.407 0.442 . . . . 0.0 110.676 179.704 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.553 ' HD3' ' O ' ' A' ' 65' ' ' LEU . 8.0 Cg_exo -73.52 151.37 47.32 Favored 'Trans proline' 0 C--N 1.374 1.901 0 C-N-CA 122.593 2.196 . . . . 0.0 112.888 179.691 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 40.6 p 52.03 107.72 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.302 0 C-N-CA 124.348 1.059 . . . . 0.0 112.947 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.406 ' NZ ' ' HA ' ' A' ' 63' ' ' LEU . 96.7 mttt -127.0 131.01 51.12 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.728 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -99.88 128.89 45.93 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.837 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -127.32 131.13 50.49 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.074 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 144.33 91.0 0.12 Allowed Glycine 0 C--N 1.337 0.619 0 O-C-N 123.635 0.584 . . . . 0.0 112.548 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -100.41 144.96 28.8 Favored 'General case' 0 C--O 1.235 0.294 0 C-N-CA 122.296 0.238 . . . . 0.0 110.867 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -99.64 143.83 29.42 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.225 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 52.4 m -98.95 144.18 28.41 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.85 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -116.24 -43.68 2.94 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.492 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 52.4 m 63.87 139.84 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 123.96 0.904 . . . . 0.0 112.246 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.439 ' CD2' ' HA3' ' A' ' 82' ' ' GLY . 89.7 m-85 -98.52 158.08 33.19 Favored Pre-proline 0 CA--C 1.54 0.589 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.961 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -75.89 -42.78 0.38 Allowed 'Trans proline' 0 C--N 1.376 2.017 0 C-N-CA 122.556 2.171 . . . . 0.0 113.019 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 17.5 p -142.44 -47.94 0.34 Allowed 'General case' 0 N--CA 1.467 0.392 0 O-C-N 123.314 0.384 . . . . 0.0 111.366 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -118.96 147.58 43.9 Favored 'General case' 0 C--O 1.235 0.334 0 O-C-N 123.383 0.427 . . . . 0.0 111.201 -179.759 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.439 ' HA3' ' CD2' ' A' ' 78' ' ' TYR . . . -167.14 -118.47 0.44 Allowed Glycine 0 C--N 1.337 0.623 0 CA-C-N 115.741 -0.663 . . . . 0.0 112.415 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -126.5 -42.42 1.81 Allowed 'General case' 0 C--O 1.236 0.381 0 O-C-N 123.637 0.257 . . . . 0.0 111.43 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 54.8 mt-30 -105.61 139.53 40.07 Favored 'General case' 0 N--CA 1.465 0.301 0 O-C-N 123.35 0.406 . . . . 0.0 110.796 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -129.48 146.61 51.3 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.828 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 18.7 p -125.05 145.61 49.83 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.138 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -103.44 146.56 28.32 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.923 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -108.25 -43.13 4.43 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.543 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 11.0 mt -103.66 139.81 38.43 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.836 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 3.9 m -138.79 157.51 71.69 Favored Pre-proline 0 CA--C 1.544 0.713 0 O-C-N 123.584 0.553 . . . . 0.0 111.41 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_exo -79.04 152.16 24.3 Favored 'Trans proline' 0 C--N 1.376 2.024 0 C-N-CA 122.649 2.233 . . . . 0.0 112.861 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 86.3 mtt180 -133.44 131.92 40.5 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.828 179.65 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -147.71 -141.69 3.56 Favored Glycine 0 C--N 1.336 0.556 0 CA-C-N 115.979 -0.555 . . . . 0.0 112.645 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 53.1 m -100.02 147.46 25.59 Favored 'General case' 0 C--O 1.235 0.319 0 O-C-N 123.594 0.232 . . . . 0.0 111.039 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -121.63 61.84 0.53 Allowed Glycine 0 C--N 1.336 0.556 0 CA-C-N 115.888 -0.596 . . . . 0.0 112.546 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 87.7 m-85 -128.19 144.51 51.13 Favored 'General case' 0 C--O 1.235 0.299 0 C-N-CA 122.249 0.22 . . . . 0.0 110.824 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . 0.557 ' HA3' ' OE2' ' A' ' 100' ' ' GLU . . . 156.44 154.01 6.84 Favored Glycine 0 C--N 1.338 0.661 0 CA-C-N 115.874 -0.603 . . . . 0.0 112.592 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 59.2 mttp -101.69 154.59 18.75 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 120.675 0.274 . . . . 0.0 111.018 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . 0.447 HD22 ' HE3' ' A' ' 103' ' ' LYS . 2.5 t30 64.92 13.19 8.41 Favored 'General case' 0 N--CA 1.488 1.441 0 C-N-CA 124.001 0.92 . . . . 0.0 112.429 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.557 ' OE2' ' HA3' ' A' ' 97' ' ' GLY . 41.1 mt-10 -96.81 -26.9 14.95 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.452 179.727 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -76.77 -29.74 56.2 Favored 'General case' 0 N--CA 1.47 0.547 0 O-C-N 123.425 0.453 . . . . 0.0 111.973 179.66 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 11.1 mt -79.69 -26.64 40.86 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 116.001 -0.545 . . . . 0.0 112.018 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.447 ' HE3' HD22 ' A' ' 99' ' ' ASN . 95.2 mttt -70.86 -39.19 73.04 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 122.669 0.388 . . . . 0.0 111.979 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -64.68 -40.36 95.26 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 122.79 0.436 . . . . 0.0 111.728 179.794 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -77.23 -30.65 54.65 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.548 179.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -71.77 -39.22 70.1 Favored 'General case' 0 N--CA 1.47 0.562 0 O-C-N 123.474 0.484 . . . . 0.0 111.66 179.203 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -75.78 -37.63 59.03 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 115.855 -0.612 . . . . 0.0 111.606 179.468 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 68.0 m -70.54 -37.46 74.07 Favored 'General case' 0 N--CA 1.47 0.572 0 O-C-N 123.221 0.326 . . . . 0.0 111.288 179.313 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 4.7 tp -73.25 -36.78 66.45 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.878 179.313 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.414 ' O ' ' HB2' ' A' ' 114' ' ' GLN . . . -71.3 -30.94 66.85 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.261 179.075 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 55.5 mttp -77.22 -32.22 55.75 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.794 178.767 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -73.45 -35.13 65.71 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.425 178.777 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 24.7 mt -77.95 -32.93 17.91 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 N-CA-C 109.776 -0.454 . . . . 0.0 109.776 178.535 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . 0.414 ' HB2' ' O ' ' A' ' 110' ' ' ALA . 14.7 tt0 -67.85 -37.87 82.41 Favored 'General case' 0 N--CA 1.469 0.512 0 O-C-N 123.453 0.471 . . . . 0.0 110.191 178.383 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 12.1 t80 -73.6 -35.83 65.42 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.936 178.488 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.605 ' O ' HG12 ' A' ' 120' ' ' ILE . 10.1 tp -67.24 -36.88 82.57 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.7 178.74 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 62.4 mttm -69.19 -43.35 74.34 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.714 178.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -68.68 -25.01 64.58 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.639 178.054 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.582 ' O ' HG22 ' A' ' 123' ' ' VAL . 2.3 tt -71.5 -42.79 67.57 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.563 179.011 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . 0.605 HG12 ' O ' ' A' ' 116' ' ' LEU . 26.2 mm -69.21 -34.41 63.01 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.182 178.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -72.49 -30.99 65.01 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.5 179.113 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -74.57 -37.47 62.94 Favored 'General case' 0 N--CA 1.471 0.611 0 O-C-N 123.346 0.404 . . . . 0.0 111.603 179.435 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.582 HG22 ' O ' ' A' ' 119' ' ' LEU . 2.5 m -74.6 -33.13 31.22 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 O-C-N 123.261 0.351 . . . . 0.0 111.063 178.609 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -70.8 -38.31 73.34 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.321 178.534 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -74.1 -38.01 63.99 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.898 179.769 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -75.43 -41.64 55.4 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 116.157 -0.474 . . . . 0.0 112.2 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . 0.466 ' CZ ' HD13 ' A' ' 65' ' ' LEU . 76.2 mtt180 -103.58 129.74 50.88 Favored 'General case' 0 C--O 1.235 0.314 0 O-C-N 123.387 0.429 . . . . 0.0 111.053 -179.861 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 136.52 89.47 0.26 Allowed Glycine 0 C--N 1.338 0.662 0 CA-C-N 115.873 -0.603 . . . . 0.0 112.486 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -100.59 144.63 29.34 Favored 'General case' 0 C--O 1.235 0.339 0 C-N-CA 122.274 0.229 . . . . 0.0 110.95 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -103.64 145.78 29.55 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.881 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 71.9 mtp180 -116.03 138.37 51.28 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.813 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 3.1 m -137.12 98.8 10.19 Favored Pre-proline 0 CA--C 1.547 0.841 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.312 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_exo . . . . . 0 C--N 1.374 1.911 0 C-N-CA 122.683 2.256 . . . . 0.0 112.712 179.459 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.15 0 CA-C-O 119.213 -0.77 . . . . 0.0 112.542 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo -75.82 137.3 19.79 Favored 'Trans proline' 0 C--N 1.37 1.702 0 C-N-CA 122.989 2.46 . . . . 0.0 112.794 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 96.1 m95 63.09 126.32 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 123.858 0.863 . . . . 0.0 112.049 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 52.1 tttt -115.05 139.4 49.9 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.571 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -129.95 -36.73 1.55 Allowed 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.305 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 61.23 110.28 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 123.98 0.912 . . . . 0.0 111.883 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 16.4 t -138.19 -44.12 0.51 Allowed 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.068 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 62.2 m80 -122.69 -16.17 7.27 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.732 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.1 pp -90.12 87.87 2.78 Favored 'Isoleucine or valine' 0 C--O 1.238 0.464 0 CA-C-O 121.258 0.551 . . . . 0.0 111.244 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.454 ' O ' HG22 ' A' ' 14' ' ' VAL . 3.2 m -146.44 -34.88 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.665 0 CA-C-N 115.229 -0.896 . . . . 0.0 111.382 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 14.2 t -83.88 -15.88 46.46 Favored 'General case' 0 N--CA 1.469 0.489 0 O-C-N 123.542 0.526 . . . . 0.0 111.77 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -97.2 -17.44 19.87 Favored 'General case' 0 CA--C 1.533 0.311 0 O-C-N 123.318 0.386 . . . . 0.0 111.927 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -90.57 -25.7 20.07 Favored 'General case' 0 N--CA 1.47 0.555 0 O-C-N 123.232 0.332 . . . . 0.0 111.779 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.454 HG22 ' O ' ' A' ' 10' ' ' VAL . 2.5 m -77.26 -38.41 27.05 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 N-CA-C 112.216 0.45 . . . . 0.0 112.216 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -62.73 -34.92 91.07 Favored Glycine 0 C--N 1.342 0.907 0 O-C-N 123.556 0.535 . . . . 0.0 113.704 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -75.89 -33.88 59.95 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 122.534 0.334 . . . . 0.0 111.211 179.419 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -74.81 -33.96 62.29 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.789 178.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 49.2 t -72.53 -39.14 67.77 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.793 178.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.561 ' O ' HG22 ' A' ' 23' ' ' VAL . 42.0 mt-10 -70.22 -36.6 74.65 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.718 179.105 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -71.98 -39.18 69.48 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.593 179.656 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.627 HD11 HG13 ' A' ' 54' ' ' VAL . 4.0 tp -72.91 -27.5 24.99 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.802 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.293 178.757 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -70.01 -44.91 59.42 Favored Glycine 0 C--N 1.349 1.265 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.918 178.198 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.561 HG22 ' O ' ' A' ' 19' ' ' GLU . 2.6 m -71.26 -29.19 34.98 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 CA-C-O 120.691 0.282 . . . . 0.0 110.778 178.422 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.413 ' O ' ' HB2' ' A' ' 28' ' ' LEU . 40.4 tttt -74.37 -34.42 63.36 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.5 178.387 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 6.5 tp -70.08 -39.22 75.71 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.115 179.228 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.6 mt -71.76 -38.73 70.34 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.287 179.142 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 3.9 t60 -71.72 -33.9 69.13 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.736 179.15 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.517 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 2.7 tt -75.08 -30.22 60.87 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.71 179.028 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -71.01 -42.06 70.09 Favored 'General case' 0 N--CA 1.47 0.541 0 O-C-N 123.473 0.483 . . . . 0.0 110.59 179.251 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -68.94 -38.68 79.62 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.272 178.611 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 12.4 tt0 -74.4 -21.74 59.5 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.76 178.641 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.517 ' HB2' ' O ' ' A' ' 28' ' ' LEU . 3.9 tt -75.18 -42.83 55.0 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 122.944 0.498 . . . . 0.0 110.586 179.27 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 11.5 mt -71.84 -36.19 70.09 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.613 178.692 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -72.0 -31.76 64.04 Favored Glycine 0 C--N 1.345 1.057 0 CA-C-N 115.536 -0.757 . . . . 0.0 112.67 178.764 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -81.1 -27.67 35.51 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 122.521 0.328 . . . . 0.0 111.519 179.176 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 80.8 mtp -80.26 -30.33 38.43 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.712 179.558 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 10.6 t80 -78.68 -39.27 37.18 Favored 'General case' 0 N--CA 1.469 0.5 0 O-C-N 123.397 0.436 . . . . 0.0 111.463 179.656 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 74.8 p -86.73 -11.31 51.51 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 116.131 -0.486 . . . . 0.0 112.084 179.749 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 30.7 p80 46.94 102.84 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.478 0 C-N-CA 124.755 1.222 . . . . 0.0 113.116 -179.585 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -134.27 159.69 40.2 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.987 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -97.01 -37.62 10.1 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.493 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.79 -38.27 86.2 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.012 0.525 . . . . 0.0 112.413 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.468 ' O ' ' HB2' ' A' ' 47' ' ' LEU . 8.2 mt -70.68 -28.33 64.7 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 115.993 -0.549 . . . . 0.0 112.099 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -72.62 -37.78 67.96 Favored 'General case' 0 N--CA 1.472 0.634 0 O-C-N 123.306 0.378 . . . . 0.0 111.085 179.507 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 54.8 mt-30 -71.51 -40.95 69.81 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.7 179.22 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 55.6 m -68.95 -34.62 75.65 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.89 178.596 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.468 ' HB2' ' O ' ' A' ' 43' ' ' LEU . 1.8 tt -70.74 -33.96 71.37 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.176 179.121 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 54.0 mt-30 -71.3 -39.46 71.46 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.26 179.135 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -70.51 -35.98 68.44 Favored Glycine 0 C--N 1.345 1.03 0 CA-C-N 115.916 -0.584 . . . . 0.0 112.428 178.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.553 ' O ' HG23 ' A' ' 54' ' ' VAL . 43.8 mt-10 -72.09 -35.73 69.29 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 122.867 0.467 . . . . 0.0 110.929 179.039 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.2 tt -69.39 -36.33 76.67 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.668 179.017 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -71.32 -35.27 71.17 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.109 178.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 18.3 p -72.38 -32.01 66.06 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.469 178.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.627 HG13 HD11 ' A' ' 21' ' ' ILE . 74.7 t -74.43 -34.48 36.28 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.209 178.676 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 81.0 mttt -71.42 -36.41 71.31 Favored 'General case' 0 N--CA 1.472 0.626 0 O-C-N 123.407 0.442 . . . . 0.0 111.103 178.574 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -72.66 -35.31 67.7 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.181 179.009 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 18.8 p -73.42 -31.98 64.15 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.078 178.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.6 mt -71.98 -39.97 68.93 Favored 'General case' 0 C--N 1.345 0.392 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.035 178.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -69.55 -37.89 77.24 Favored 'General case' 0 N--CA 1.472 0.627 0 O-C-N 123.556 0.535 . . . . 0.0 110.936 178.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.489 ' O ' ' HB2' ' A' ' 64' ' ' GLN . . . -70.11 -32.02 69.85 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.238 178.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.558 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 9.9 ttt -71.16 -43.45 67.49 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.229 179.481 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 2.2 pp -75.54 -24.65 17.25 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.846 0 O-C-N 123.346 0.404 . . . . 0.0 111.726 179.514 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.7 tp -84.48 -24.3 29.51 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.057 179.174 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.489 ' HB2' ' O ' ' A' ' 60' ' ' ALA . 5.1 tt0 -85.07 -36.07 21.44 Favored 'General case' 0 N--CA 1.468 0.459 0 O-C-N 123.405 0.441 . . . . 0.0 111.301 179.488 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.558 ' HG ' ' O ' ' A' ' 61' ' ' MET . 0.8 OUTLIER -131.59 81.7 1.99 Allowed 'General case' 0 CA--C 1.536 0.44 0 CA-C-O 121.461 0.648 . . . . 0.0 110.723 179.803 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -115.22 137.83 23.23 Favored Pre-proline 0 CA--C 1.541 0.605 0 CA-C-N 115.102 -0.954 . . . . 0.0 110.485 179.751 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_exo -61.61 150.52 85.14 Favored 'Trans proline' 0 C--N 1.376 2.006 0 C-N-CA 122.47 2.113 . . . . 0.0 113.087 179.582 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 19.2 p -100.42 -43.03 6.37 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.497 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 98.0 mttt 64.46 132.91 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 123.906 0.883 . . . . 0.0 112.064 -179.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -96.92 -39.59 9.31 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.438 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -96.02 138.15 34.07 Favored 'General case' 0 N--CA 1.464 0.262 0 O-C-N 123.406 0.441 . . . . 0.0 111.308 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -137.78 154.46 22.66 Favored Glycine 0 C--N 1.337 0.616 0 CA-C-N 115.805 -0.634 . . . . 0.0 112.609 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -121.94 -39.2 2.63 Favored 'General case' 0 N--CA 1.466 0.367 0 O-C-N 123.624 0.249 . . . . 0.0 111.324 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -95.04 151.8 18.88 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.361 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 44.9 p -94.83 -40.04 9.94 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.485 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -97.26 130.61 44.44 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.208 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 16.1 t -126.17 -41.75 1.9 Allowed 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.124 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 91.2 m-85 -97.51 108.95 48.09 Favored Pre-proline 0 CA--C 1.541 0.611 0 O-C-N 123.411 0.445 . . . . 0.0 110.874 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 21.6 Cg_exo -66.74 145.1 74.23 Favored 'Trans proline' 0 C--N 1.375 1.963 0 C-N-CA 122.655 2.237 . . . . 0.0 112.973 179.429 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 18.8 p -103.0 125.84 49.93 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.097 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -125.57 146.56 49.63 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.124 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -100.31 148.51 18.41 Favored Glycine 0 C--N 1.336 0.544 0 O-C-N 123.629 0.581 . . . . 0.0 112.536 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -126.11 132.11 51.95 Favored 'General case' 0 C--O 1.234 0.265 0 C-N-CA 122.314 0.245 . . . . 0.0 111.128 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -128.72 -42.11 1.45 Allowed 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.211 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -99.97 142.24 31.7 Favored 'General case' 0 C--O 1.235 0.337 0 O-C-N 123.361 0.413 . . . . 0.0 110.918 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 19.7 p -100.42 -46.36 5.26 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 115.976 -0.557 . . . . 0.0 111.4 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -109.96 133.27 53.36 Favored 'General case' 0 C--O 1.235 0.315 0 O-C-N 123.466 0.478 . . . . 0.0 110.906 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -125.69 -44.22 1.83 Allowed 'General case' 0 C--O 1.235 0.336 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.369 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 5.8 mp -105.4 146.0 30.04 Favored 'General case' 0 C--O 1.235 0.319 0 O-C-N 123.37 0.419 . . . . 0.0 110.906 179.725 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 4.2 m -129.32 158.86 71.82 Favored Pre-proline 0 CA--C 1.545 0.769 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.242 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 4.0 Cg_exo -75.9 131.47 13.31 Favored 'Trans proline' 0 C--N 1.376 2.007 0 C-N-CA 122.529 2.153 . . . . 0.0 112.713 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 62.32 125.93 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 123.91 0.884 . . . . 0.0 112.17 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 115.61 52.15 0.4 Allowed Glycine 0 C--N 1.336 0.575 0 CA-C-N 115.741 -0.663 . . . . 0.0 112.617 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 52.5 m -130.37 -42.21 1.2 Allowed 'General case' 0 N--CA 1.465 0.281 0 C-N-CA 122.39 0.276 . . . . 0.0 111.287 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 154.01 -67.94 0.31 Allowed Glycine 0 C--N 1.341 0.854 0 O-C-N 123.453 0.471 . . . . 0.0 112.558 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 63.09 126.17 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 123.97 0.908 . . . . 0.0 112.067 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -132.5 -153.44 7.3 Favored Glycine 0 C--N 1.337 0.607 0 CA-C-N 115.806 -0.634 . . . . 0.0 112.521 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.407 ' O ' HD12 ' A' ' 102' ' ' LEU . 97.2 mttt -129.3 -38.26 1.59 Allowed 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 122.372 0.269 . . . . 0.0 111.348 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 41.9 m-80 -92.18 -28.79 16.83 Favored 'General case' 0 N--CA 1.468 0.466 0 O-C-N 123.5 0.5 . . . . 0.0 111.643 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -90.28 -19.81 23.67 Favored 'General case' 0 N--CA 1.469 0.509 0 O-C-N 123.366 0.416 . . . . 0.0 111.755 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -76.97 -31.0 56.25 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 112.128 0.418 . . . . 0.0 112.128 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.407 HD12 ' O ' ' A' ' 98' ' ' LYS . 13.4 mt -86.32 -29.86 22.69 Favored 'General case' 0 N--CA 1.47 0.565 0 O-C-N 123.397 0.435 . . . . 0.0 111.734 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -72.98 -43.44 62.22 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 122.546 0.338 . . . . 0.0 111.541 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -64.83 -37.82 88.92 Favored 'General case' 0 N--CA 1.474 0.772 0 O-C-N 123.465 0.478 . . . . 0.0 111.526 179.246 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -74.29 -34.25 63.48 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.569 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -69.71 -37.89 76.72 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.647 179.372 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -75.72 -34.49 60.35 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.346 179.442 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 70.6 m -70.63 -40.09 73.33 Favored 'General case' 0 N--CA 1.471 0.58 0 O-C-N 123.32 0.388 . . . . 0.0 111.187 179.07 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 23.8 mt -71.36 -37.49 71.64 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.135 179.278 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -69.59 -33.16 72.31 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.183 179.024 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.456 ' O ' ' HB2' ' A' ' 115' ' ' TYR . 92.8 mttt -75.61 -29.86 59.38 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.881 178.829 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -73.49 -37.41 65.73 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.48 178.738 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 13.9 mt -74.66 -36.61 41.12 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.222 179.178 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 53.8 mt-30 -71.87 -32.97 68.0 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.933 178.765 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . 0.456 ' HB2' ' O ' ' A' ' 111' ' ' LYS . 9.0 t80 -72.78 -37.35 67.64 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.563 179.171 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.674 ' O ' HG12 ' A' ' 120' ' ' ILE . 16.1 mt -67.74 -38.79 83.98 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.751 178.548 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -66.44 -41.42 89.15 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.145 179.122 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . 0.437 ' O ' ' HB2' ' A' ' 122' ' ' GLU . 20.0 m-20 -68.97 -29.32 67.51 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.519 178.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 18.1 mt -74.36 -35.39 63.54 Favored 'General case' 0 N--CA 1.47 0.561 0 O-C-N 123.429 0.455 . . . . 0.0 111.775 179.126 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . 0.674 HG12 ' O ' ' A' ' 116' ' ' LEU . 32.3 mm -74.05 -37.5 47.14 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 O-C-N 123.211 0.319 . . . . 0.0 110.533 179.229 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -73.06 -33.54 65.71 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.517 179.117 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . 0.437 ' HB2' ' O ' ' A' ' 118' ' ' ASP . 3.0 tp10 -76.19 -33.65 59.31 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.421 179.81 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 9.9 p -77.79 -33.42 18.76 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.754 0 O-C-N 123.409 0.443 . . . . 0.0 110.437 178.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . 0.414 ' HB2' ' O ' ' A' ' 120' ' ' ILE . 35.8 ttt180 -71.17 -37.91 72.18 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.987 178.802 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -74.09 -41.46 61.65 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.853 179.616 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -75.72 -59.31 2.81 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 116.228 -0.442 . . . . 0.0 112.022 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 67.13 -58.33 0.41 Allowed 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 124.391 1.077 . . . . 0.0 112.693 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 130.03 95.69 0.75 Allowed Glycine 0 C--N 1.341 0.846 0 C-N-CA 121.563 -0.351 . . . . 0.0 112.363 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.487 ' HB3' ' O ' ' A' ' 132' ' ' VAL . 97.2 mttt -98.03 136.93 37.58 Favored 'General case' 0 C--O 1.235 0.326 0 C-N-CA 122.386 0.274 . . . . 0.0 111.077 -179.858 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -130.47 -41.11 1.23 Allowed 'General case' 0 N--CA 1.466 0.335 0 O-C-N 123.662 0.601 . . . . 0.0 111.293 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 76.8 mtp180 -96.94 -41.94 8.16 Favored 'General case' 0 N--CA 1.469 0.478 0 O-C-N 123.49 0.494 . . . . 0.0 111.333 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . 0.487 ' O ' ' HB3' ' A' ' 129' ' ' LYS . 10.8 p -97.65 135.45 21.63 Favored Pre-proline 0 CA--C 1.553 1.088 0 O-C-N 123.46 0.475 . . . . 0.0 110.554 -179.85 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 13.4 Cg_exo . . . . . 0 C--N 1.376 1.976 0 C-N-CA 122.586 2.19 . . . . 0.0 112.845 179.614 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.159 0 CA-C-O 119.327 -0.707 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 4.2 Cg_exo -75.83 -35.38 2.61 Favored 'Trans proline' 0 C--N 1.37 1.659 0 C-N-CA 123.085 2.523 . . . . 0.0 113.105 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . 0.401 ' HD1' ' O ' ' A' ' 5' ' ' GLU . 10.8 t-105 -123.62 151.19 43.28 Favored 'General case' 0 C--O 1.234 0.282 0 O-C-N 123.361 0.413 . . . . 0.0 110.747 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -96.16 -31.77 12.82 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.595 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.401 ' O ' ' HD1' ' A' ' 3' ' ' TRP . 43.2 mt-10 -90.22 149.71 22.28 Favored 'General case' 0 N--CA 1.469 0.475 0 O-C-N 123.391 0.432 . . . . 0.0 111.152 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -98.82 109.98 22.66 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.169 -179.753 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 36.3 p -143.0 146.31 33.74 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.892 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 66.8 m80 55.35 30.07 14.18 Favored 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 123.812 0.845 . . . . 0.0 112.626 179.748 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.421 ' H ' HG13 ' A' ' 9' ' ' ILE . 2.3 pp -93.15 13.74 2.31 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.648 0 CA-C-N 115.995 -0.548 . . . . 0.0 112.057 -179.823 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 4.0 m -89.81 -30.67 5.12 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 53.4 m -92.36 -14.38 28.78 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.927 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -95.41 -24.59 16.63 Favored 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 -179.635 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -86.57 -22.08 26.48 Favored 'General case' 0 N--CA 1.471 0.581 0 N-CA-C 112.172 0.434 . . . . 0.0 112.172 -179.697 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.7 m -71.18 -39.82 73.9 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 N-CA-C 112.619 0.6 . . . . 0.0 112.619 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -64.68 -42.39 97.27 Favored Glycine 0 C--N 1.343 0.918 0 CA-C-N 116.192 -0.458 . . . . 0.0 113.645 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -73.11 -38.04 66.48 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 122.535 0.334 . . . . 0.0 111.471 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.653 ' O ' HG12 ' A' ' 21' ' ' ILE . 95.9 mttt -70.85 -35.47 72.42 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.223 179.352 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 66.0 m -71.28 -36.47 71.7 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.685 178.695 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.565 ' O ' HG22 ' A' ' 23' ' ' VAL . 41.1 mt-10 -69.89 -31.57 69.44 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.789 178.376 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.13 -39.74 68.58 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.397 178.775 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.653 HG12 ' O ' ' A' ' 17' ' ' LYS . 39.9 mm -72.29 -27.63 26.97 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.775 0 CA-C-N 116.166 -0.47 . . . . 0.0 109.898 178.619 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -71.59 -44.09 50.59 Favored Glycine 0 C--N 1.348 1.197 0 CA-C-N 115.967 -0.56 . . . . 0.0 112.305 178.788 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.565 HG22 ' O ' ' A' ' 19' ' ' GLU . 3.0 m -71.32 -33.18 49.45 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 CA-C-O 120.562 0.22 . . . . 0.0 111.276 179.043 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.441 ' O ' ' HB2' ' A' ' 28' ' ' LEU . 96.7 mttt -73.25 -33.75 65.47 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.928 178.789 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.43 ' HB2' ' O ' ' A' ' 21' ' ' ILE . 4.7 tp -70.13 -40.35 74.88 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.169 179.124 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.4 mt -69.31 -43.42 73.81 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.284 179.539 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.638 ' O ' ' HG2' ' A' ' 31' ' ' GLN . 17.3 m-70 -67.97 -31.95 72.03 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.057 178.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.478 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 4.8 tp -71.9 -34.49 69.17 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.559 178.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.424 ' HG3' ' O ' ' A' ' 25' ' ' LEU . 42.8 mt-10 -69.99 -36.17 74.95 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.901 178.794 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -68.05 -44.85 75.45 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.224 178.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.638 ' HG2' ' O ' ' A' ' 27' ' ' HIS . 8.5 pt20 -74.39 -21.56 59.59 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.462 179.063 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.478 ' HB2' ' O ' ' A' ' 28' ' ' LEU . 4.0 tt -72.68 -44.89 61.21 Favored 'General case' 0 N--CA 1.471 0.584 0 O-C-N 123.427 0.454 . . . . 0.0 110.68 179.079 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.3 mp -71.19 -35.72 71.67 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.597 178.678 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -72.08 -30.63 65.09 Favored Glycine 0 C--N 1.345 1.028 0 CA-C-N 115.73 -0.668 . . . . 0.0 112.889 178.592 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -81.25 -29.01 34.52 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 111.903 0.334 . . . . 0.0 111.903 179.539 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 47.0 mtt -80.8 -34.42 34.05 Favored 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 111.929 0.344 . . . . 0.0 111.929 179.794 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 8.9 t80 -81.21 -43.43 19.28 Favored 'General case' 0 N--CA 1.469 0.482 0 O-C-N 123.303 0.377 . . . . 0.0 111.646 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 53.2 m -86.78 -18.13 31.82 Favored 'General case' 0 N--CA 1.469 0.516 0 O-C-N 123.584 0.552 . . . . 0.0 112.307 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 72.1 m-70 62.29 108.98 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 123.762 0.825 . . . . 0.0 111.631 -179.623 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.408 ' CB ' HD12 ' A' ' 43' ' ' LEU . 7.6 m-20 -139.99 157.11 46.19 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.048 -179.653 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -103.79 -40.19 6.35 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.446 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.86 -37.02 83.64 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 112.523 0.564 . . . . 0.0 112.523 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.463 ' O ' ' HB2' ' A' ' 47' ' ' LEU . 11.7 mt -70.9 -28.42 64.52 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 115.997 -0.547 . . . . 0.0 112.038 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -73.76 -37.36 65.05 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 122.646 0.378 . . . . 0.0 111.183 179.424 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 13.9 tt0 -71.13 -41.47 70.45 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.59 179.281 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 42.2 p -69.1 -34.47 75.15 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.105 178.706 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.463 ' HB2' ' O ' ' A' ' 43' ' ' LEU . 2.2 tt -70.77 -34.47 71.84 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.316 179.24 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 54.0 mt-30 -72.51 -39.88 67.27 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 116.059 -0.518 . . . . 0.0 111.648 179.516 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -71.61 -36.89 62.11 Favored Glycine 0 C--N 1.343 0.946 0 CA-C-N 116.096 -0.502 . . . . 0.0 112.789 179.296 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -73.45 -35.38 65.75 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 122.88 0.472 . . . . 0.0 111.342 179.403 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.429 ' O ' HG12 ' A' ' 54' ' ' VAL . 2.6 tt -72.23 -36.39 69.1 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.267 179.535 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -73.81 -35.21 64.85 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.115 179.191 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 18.1 p -73.44 -33.76 65.08 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.532 178.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.429 HG12 ' O ' ' A' ' 51' ' ' LEU . 6.9 p -74.96 -34.24 31.99 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.747 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.613 179.366 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 75.8 mttt -72.53 -35.63 68.12 Favored 'General case' 0 N--CA 1.47 0.542 0 O-C-N 123.466 0.479 . . . . 0.0 111.052 178.759 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -72.67 -34.82 67.48 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.082 178.823 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 16.3 p -72.64 -36.0 67.9 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.399 179.007 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 24.5 mt -71.95 -36.49 69.89 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.957 179.056 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.452 ' O ' ' HB2' ' A' ' 63' ' ' LEU . 46.5 mt-30 -69.47 -37.92 77.48 Favored 'General case' 0 N--CA 1.472 0.642 0 O-C-N 123.515 0.51 . . . . 0.0 110.826 178.558 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.505 ' O ' ' HG2' ' A' ' 64' ' ' GLN . . . -69.42 -33.47 73.03 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.926 178.847 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 24.8 mmm -67.93 -45.19 75.0 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.525 179.035 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.481 ' O ' ' HB2' ' A' ' 66' ' ' GLN . 2.1 pp -75.75 -21.05 15.79 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.767 179.423 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.452 ' HB2' ' O ' ' A' ' 59' ' ' GLN . 2.5 tt -79.29 -34.11 42.73 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.374 179.398 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.505 ' HG2' ' O ' ' A' ' 60' ' ' ALA . 11.3 pt20 -85.29 -32.19 22.66 Favored 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 111.994 0.368 . . . . 0.0 111.994 179.77 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.463 HD22 ' NH1' ' A' ' 127' ' ' ARG . 16.2 mt -81.74 -39.79 23.66 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 112.002 0.371 . . . . 0.0 112.002 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.481 ' HB2' ' O ' ' A' ' 62' ' ' ILE . 54.9 mt-30 -102.56 155.26 36.75 Favored Pre-proline 0 CA--C 1.54 0.572 0 O-C-N 123.441 0.463 . . . . 0.0 110.899 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo -77.35 129.56 10.39 Favored 'Trans proline' 0 C--N 1.375 1.931 0 C-N-CA 122.614 2.209 . . . . 0.0 112.766 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 18.2 p -141.34 -53.26 0.46 Allowed 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.148 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 60.2 mttp 60.04 121.09 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 124.035 0.934 . . . . 0.0 112.238 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -122.44 134.28 54.6 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.873 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -99.68 -42.78 6.72 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.455 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -153.93 -149.58 5.25 Favored Glycine 0 C--N 1.34 0.766 0 O-C-N 123.44 0.462 . . . . 0.0 112.551 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -115.04 143.76 44.69 Favored 'General case' 0 C--O 1.235 0.308 0 C-N-CA 122.285 0.234 . . . . 0.0 110.866 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -100.37 -42.7 6.52 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.395 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 52.8 m -107.22 142.67 36.59 Favored 'General case' 0 C--O 1.235 0.329 0 O-C-N 123.402 0.439 . . . . 0.0 110.955 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -107.42 -42.52 4.79 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.976 -0.557 . . . . 0.0 111.408 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 16.1 t -106.55 146.0 31.17 Favored 'General case' 0 C--O 1.234 0.282 0 O-C-N 123.367 0.417 . . . . 0.0 110.716 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 91.2 m-85 -128.01 157.9 72.48 Favored Pre-proline 0 CA--C 1.539 0.542 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.86 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 7.0 Cg_exo -74.33 134.73 19.43 Favored 'Trans proline' 0 C--N 1.376 2.008 0 C-N-CA 122.526 2.151 . . . . 0.0 112.665 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 19.7 p -139.92 -46.67 0.44 Allowed 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.371 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -104.26 147.29 27.65 Favored 'General case' 0 C--O 1.234 0.253 0 O-C-N 123.453 0.471 . . . . 0.0 111.142 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -150.08 122.56 1.43 Allowed Glycine 0 C--N 1.337 0.608 0 CA-C-N 115.748 -0.66 . . . . 0.0 112.525 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -100.69 146.66 26.92 Favored 'General case' 0 C--O 1.233 0.212 0 O-C-N 123.662 0.272 . . . . 0.0 111.157 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -128.7 148.03 50.8 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.934 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 63.09 126.03 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 123.955 0.902 . . . . 0.0 112.06 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 19.6 p -99.29 -45.05 6.01 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.432 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -98.76 139.28 34.69 Favored 'General case' 0 C--O 1.235 0.309 0 O-C-N 123.447 0.467 . . . . 0.0 110.98 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -109.62 146.07 35.39 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.124 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 5.8 mp -107.76 -42.31 4.77 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.218 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 3.2 m -132.06 103.47 14.17 Favored Pre-proline 0 CA--C 1.545 0.774 0 O-C-N 123.358 0.411 . . . . 0.0 111.39 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 23.2 Cg_exo -65.82 -34.16 40.88 Favored 'Trans proline' 0 C--N 1.374 1.899 0 C-N-CA 122.668 2.245 . . . . 0.0 113.196 179.56 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -119.28 143.48 47.32 Favored 'General case' 0 C--O 1.234 0.277 0 O-C-N 123.353 0.408 . . . . 0.0 110.836 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 108.02 127.44 5.64 Favored Glycine 0 C--N 1.337 0.612 0 CA-C-N 115.823 -0.626 . . . . 0.0 112.467 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 38.8 p -128.48 130.62 47.79 Favored 'General case' 0 C--O 1.234 0.27 0 O-C-N 123.64 0.259 . . . . 0.0 111.006 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 144.27 71.64 0.02 OUTLIER Glycine 0 C--N 1.338 0.663 0 CA-C-N 115.894 -0.594 . . . . 0.0 112.48 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -128.57 151.34 49.57 Favored 'General case' 0 C--O 1.237 0.397 0 O-C-N 123.65 0.265 . . . . 0.0 111.003 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -97.61 55.27 1.22 Allowed Glycine 0 C--N 1.338 0.653 0 CA-C-N 115.908 -0.587 . . . . 0.0 112.607 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -122.58 134.37 54.53 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 122.35 0.26 . . . . 0.0 110.678 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 17.9 m120 -121.64 113.53 19.89 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.999 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -140.94 -37.64 0.44 Allowed 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.954 179.753 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -76.81 -29.54 56.01 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.602 179.578 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 13.6 mt -83.43 -26.57 30.25 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.788 179.789 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -71.12 -43.66 67.17 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.771 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -64.87 -39.68 93.92 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 122.947 0.499 . . . . 0.0 111.692 179.447 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 58.9 mttp -74.45 -31.02 62.11 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.662 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -71.55 -38.22 71.04 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.577 179.523 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -75.71 -35.9 60.15 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.433 179.321 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . 0.455 ' O ' ' HG3' ' A' ' 112' ' ' GLU . 16.4 t -70.24 -42.07 72.69 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.134 179.294 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 20.9 mt -72.31 -33.63 67.51 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 115.932 -0.577 . . . . 0.0 111.12 179.4 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -69.67 -34.76 74.42 Favored 'General case' 0 N--CA 1.47 0.525 0 O-C-N 123.401 0.438 . . . . 0.0 110.845 178.542 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -74.79 -29.96 61.28 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.52 178.487 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.455 ' HG3' ' O ' ' A' ' 108' ' ' SER . 42.2 mt-10 -71.47 -38.26 71.25 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.381 178.727 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 12.1 mt -75.2 -34.11 30.35 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.189 179.077 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 54.0 mt-30 -73.96 -32.52 63.51 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.951 178.715 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -73.64 -36.22 65.39 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.783 178.649 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.666 ' O ' HG12 ' A' ' 120' ' ' ILE . 13.5 mt -68.8 -41.6 78.45 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.93 178.68 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -68.2 -37.2 80.67 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.184 179.22 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -68.97 -33.84 74.35 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.082 178.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.554 ' O ' HG22 ' A' ' 123' ' ' VAL . 15.2 mt -70.75 -38.15 73.48 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.517 179.416 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . 0.666 HG12 ' O ' ' A' ' 116' ' ' LEU . 31.1 mm -70.3 -36.29 66.54 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 O-C-N 123.32 0.387 . . . . 0.0 110.223 178.771 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -72.77 -29.34 63.22 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.552 179.177 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -75.94 -38.18 57.89 Favored 'General case' 0 N--CA 1.47 0.568 0 O-C-N 123.269 0.356 . . . . 0.0 111.575 179.433 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.554 HG22 ' O ' ' A' ' 119' ' ' LEU . 4.7 m -74.33 -33.42 33.92 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 O-C-N 123.246 0.341 . . . . 0.0 110.938 178.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 36.5 ttt180 -71.23 -39.86 71.41 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.824 178.668 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -74.21 -30.68 62.31 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 115.875 -0.602 . . . . 0.0 112.021 179.518 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -74.98 -41.77 58.89 Favored 'General case' 0 N--CA 1.471 0.6 0 N-CA-C 112.179 0.436 . . . . 0.0 112.179 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . 0.463 ' NH1' HD22 ' A' ' 65' ' ' LEU . 60.8 mtt180 -114.43 128.94 56.6 Favored 'General case' 0 N--CA 1.465 0.324 0 O-C-N 123.342 0.401 . . . . 0.0 110.786 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 124.5 146.06 6.8 Favored Glycine 0 C--N 1.338 0.641 0 CA-C-N 115.778 -0.646 . . . . 0.0 112.451 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -100.66 131.04 46.77 Favored 'General case' 0 N--CA 1.465 0.323 0 O-C-N 123.6 0.235 . . . . 0.0 110.939 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -125.69 130.73 52.12 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.794 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 35.2 ttt180 -105.81 130.05 53.87 Favored 'General case' 0 C--O 1.233 0.222 0 O-C-N 123.607 0.567 . . . . 0.0 110.595 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 3.8 m -117.6 158.92 44.04 Favored Pre-proline 0 CA--C 1.543 0.711 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.232 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 6.7 Cg_exo . . . . . 0 C--N 1.377 2.066 0 C-N-CA 122.573 2.182 . . . . 0.0 112.768 179.989 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.317 0 CA-C-O 119.36 -0.689 . . . . 0.0 112.575 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo -76.05 126.84 9.56 Favored 'Trans proline' 0 C--N 1.371 1.712 0 C-N-CA 123.084 2.523 . . . . 0.0 112.677 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 9.3 m-90 70.63 -47.86 0.65 Allowed 'General case' 0 N--CA 1.487 1.422 0 C-N-CA 124.572 1.149 . . . . 0.0 112.576 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -110.44 129.73 55.71 Favored 'General case' 0 C--O 1.235 0.304 0 O-C-N 123.307 0.379 . . . . 0.0 110.854 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -100.42 150.33 22.74 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.797 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -97.07 116.15 28.76 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.981 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 49.4 m -130.21 -45.67 1.12 Allowed 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.704 179.628 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 62.8 m80 -129.46 94.77 3.85 Favored 'General case' 0 C--O 1.238 0.471 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.199 179.312 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.1 pp -144.04 -0.91 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 CA-C-N 115.43 -0.805 . . . . 0.0 111.891 -179.53 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 5.6 m -87.66 -6.07 10.54 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 N-CA-C 112.281 0.474 . . . . 0.0 112.281 -179.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 53.2 m -95.86 -30.9 13.41 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.686 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -91.15 -15.68 28.98 Favored 'General case' 0 N--CA 1.468 0.445 0 N-CA-C 112.248 0.462 . . . . 0.0 112.248 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -91.01 -22.32 20.84 Favored 'General case' 0 N--CA 1.468 0.432 0 O-C-N 123.279 0.362 . . . . 0.0 111.767 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.6 m -77.33 -39.67 28.36 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 N-CA-C 112.42 0.526 . . . . 0.0 112.42 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -66.07 -38.88 94.43 Favored Glycine 0 C--N 1.342 0.888 0 O-C-N 123.411 0.444 . . . . 0.0 113.681 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -73.21 -37.26 66.5 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 122.56 0.344 . . . . 0.0 111.517 179.765 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -71.55 -35.45 70.63 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.129 179.326 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 95.7 m -71.97 -36.4 69.8 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 178.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.542 ' O ' HG22 ' A' ' 23' ' ' VAL . 40.4 mt-10 -70.46 -33.25 71.07 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.76 178.774 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -73.13 -44.01 60.8 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 123.411 0.445 . . . . 0.0 111.792 179.744 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.404 ' O ' ' HB2' ' A' ' 25' ' ' LEU . 1.6 mp -71.71 -27.21 27.41 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.709 0 CA-C-N 116.248 -0.433 . . . . 0.0 109.836 178.191 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -70.48 -43.98 59.8 Favored Glycine 0 C--N 1.347 1.179 0 CA-C-N 115.967 -0.56 . . . . 0.0 112.422 178.75 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.542 HG22 ' O ' ' A' ' 19' ' ' GLU . 4.4 m -71.15 -35.05 56.97 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 CA-C-O 120.838 0.351 . . . . 0.0 110.983 178.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 58.4 mttp -70.71 -33.6 71.03 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.864 178.542 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.427 ' O ' ' HG3' ' A' ' 29' ' ' GLU . 5.3 tp -69.47 -40.65 76.98 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.987 179.189 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 14.0 mt -68.24 -39.33 82.3 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.241 179.102 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 14.9 m-70 -70.63 -32.26 69.52 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.246 178.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.486 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 16.7 mt -74.84 -30.84 61.5 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.193 178.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.427 ' HG3' ' O ' ' A' ' 25' ' ' LEU . 42.7 mt-10 -70.77 -45.33 64.95 Favored 'General case' 0 N--CA 1.471 0.597 0 O-C-N 123.362 0.414 . . . . 0.0 110.786 179.106 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -66.98 -37.84 84.97 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.611 178.657 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 -74.36 -22.81 59.04 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.169 178.549 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.486 ' HB2' ' O ' ' A' ' 28' ' ' LEU . 3.6 tt -72.54 -45.94 56.91 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 122.87 0.468 . . . . 0.0 110.619 179.229 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.458 ' O ' ' HD2' ' A' ' 37' ' ' TYR . 5.1 mp -69.83 -37.67 76.29 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.485 178.582 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -70.35 -28.59 71.1 Favored Glycine 0 C--N 1.345 1.049 0 CA-C-N 115.651 -0.704 . . . . 0.0 112.771 178.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -81.09 -31.24 34.45 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 122.601 0.36 . . . . 0.0 111.753 179.264 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 47.8 mtt -78.15 -30.74 49.38 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 116.139 -0.482 . . . . 0.0 112.253 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.458 ' HD2' ' O ' ' A' ' 33' ' ' LEU . 12.9 m-85 -79.1 -40.78 30.23 Favored 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 112.014 0.376 . . . . 0.0 112.014 179.654 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 82.9 p -86.85 -19.83 28.38 Favored 'General case' 0 N--CA 1.47 0.57 0 O-C-N 123.334 0.396 . . . . 0.0 112.008 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 71.2 m-70 63.39 110.62 0.03 OUTLIER 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 123.958 0.903 . . . . 0.0 111.649 -179.593 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -138.13 169.5 17.68 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.937 -179.727 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -115.84 -40.3 3.36 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.424 179.759 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.83 -30.73 70.99 Favored 'General case' 0 N--CA 1.474 0.76 0 N-CA-C 112.755 0.65 . . . . 0.0 112.755 -179.767 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.451 ' O ' ' HB2' ' A' ' 47' ' ' LEU . 2.0 mt -69.15 -28.28 66.29 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 112.426 0.528 . . . . 0.0 112.426 -179.783 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 53.8 m-85 -74.04 -35.45 64.31 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 122.516 0.326 . . . . 0.0 111.355 179.177 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 55.4 mt-30 -71.94 -41.56 67.65 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.772 179.163 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 51.2 m -69.1 -34.1 74.56 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.818 178.541 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.451 ' HB2' ' O ' ' A' ' 43' ' ' LEU . 2.3 tt -70.74 -34.68 72.13 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.104 179.174 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 53.5 mt-30 -72.18 -38.51 69.07 Favored 'General case' 0 N--CA 1.473 0.712 0 O-C-N 123.568 0.542 . . . . 0.0 111.335 179.293 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -71.61 -36.07 62.41 Favored Glycine 0 C--N 1.344 0.998 0 CA-C-N 116.024 -0.535 . . . . 0.0 112.424 179.169 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.485 ' O ' HG22 ' A' ' 54' ' ' VAL . 43.2 mt-10 -72.66 -35.57 67.75 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 122.907 0.483 . . . . 0.0 110.978 179.15 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.0 tp -71.66 -35.05 70.22 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.992 179.322 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 54.7 mt-30 -74.47 -32.93 62.75 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.973 179.062 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 18.3 p -73.05 -36.47 66.91 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.659 179.151 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.485 HG22 ' O ' ' A' ' 50' ' ' GLU . 11.9 m -74.42 -34.19 35.49 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.846 178.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -69.49 -36.92 76.98 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.794 178.365 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -72.67 -34.37 67.16 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.162 178.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 14.3 p -73.36 -33.7 65.21 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.31 178.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 20.6 mt -72.99 -37.22 67.08 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.886 179.055 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.473 ' O ' HG13 ' A' ' 62' ' ' ILE . 13.7 tt0 -69.44 -38.6 77.9 Favored 'General case' 0 N--CA 1.47 0.566 0 O-C-N 123.536 0.523 . . . . 0.0 110.292 178.539 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.427 ' O ' ' HB2' ' A' ' 64' ' ' GLN . . . -69.95 -30.7 68.15 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.95 178.608 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 37.3 mmm -70.32 -43.44 70.31 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 115.822 -0.627 . . . . 0.0 111.529 178.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.473 HG13 ' O ' ' A' ' 59' ' ' GLN . 1.4 pt -75.56 -25.13 17.45 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 O-C-N 123.47 0.481 . . . . 0.0 112.073 179.507 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 2.6 tt -85.31 -24.94 27.47 Favored 'General case' 0 N--CA 1.469 0.51 0 O-C-N 123.435 0.46 . . . . 0.0 111.388 179.543 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.427 ' HB2' ' O ' ' A' ' 60' ' ' ALA . 5.1 tt0 -91.6 -27.43 18.16 Favored 'General case' 0 N--CA 1.468 0.448 0 O-C-N 123.176 0.298 . . . . 0.0 111.776 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 22.6 mt -87.92 -31.45 19.43 Favored 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 111.95 0.352 . . . . 0.0 111.95 -179.749 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 55.3 mt-30 -92.9 157.66 39.0 Favored Pre-proline 0 CA--C 1.541 0.607 0 O-C-N 123.27 0.356 . . . . 0.0 111.0 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 7.9 Cg_exo -73.48 141.02 30.86 Favored 'Trans proline' 0 C--N 1.377 2.035 0 C-N-CA 122.577 2.184 . . . . 0.0 112.794 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 19.2 p -137.22 129.8 30.05 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.001 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -99.83 130.99 46.07 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.923 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 62.35 121.41 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 123.909 0.883 . . . . 0.0 112.078 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -128.25 129.79 46.94 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 115.78 -0.646 . . . . 0.0 111.048 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -177.15 -127.23 1.03 Allowed Glycine 0 C--N 1.336 0.556 0 CA-C-N 115.892 -0.595 . . . . 0.0 112.561 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -101.58 141.25 34.74 Favored 'General case' 0 N--CA 1.464 0.265 0 O-C-N 123.59 0.23 . . . . 0.0 110.813 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -100.25 152.08 20.71 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.189 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 53.4 m -120.7 -36.61 3.14 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.693 -179.764 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -90.44 -43.51 10.23 Favored 'General case' 0 N--CA 1.466 0.355 0 O-C-N 123.336 0.397 . . . . 0.0 111.896 -179.644 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 59.2 m -101.82 143.98 31.05 Favored 'General case' 0 C--O 1.234 0.253 0 O-C-N 123.371 0.419 . . . . 0.0 110.862 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 87.4 m-85 -132.6 157.05 79.32 Favored Pre-proline 0 CA--C 1.541 0.605 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.927 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -76.06 -36.69 1.84 Allowed 'Trans proline' 0 C--N 1.376 2.009 0 C-N-CA 122.541 2.161 . . . . 0.0 112.99 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 18.4 p -128.93 147.77 50.87 Favored 'General case' 0 N--CA 1.466 0.372 0 O-C-N 123.419 0.45 . . . . 0.0 111.068 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -103.11 147.02 27.51 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.086 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -121.93 122.59 5.16 Favored Glycine 0 C--N 1.338 0.642 0 CA-C-N 115.884 -0.598 . . . . 0.0 112.537 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -126.26 136.99 53.46 Favored 'General case' 0 C--O 1.234 0.24 0 O-C-N 123.631 0.253 . . . . 0.0 111.078 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -105.65 142.44 35.39 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.824 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -105.36 147.42 28.2 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.946 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 18.5 p -134.52 128.27 33.01 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.932 -0.577 . . . . 0.0 111.05 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 62.86 125.49 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.335 0 C-N-CA 123.975 0.91 . . . . 0.0 112.025 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -108.47 144.42 36.12 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.047 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 5.8 mp -114.42 140.33 48.77 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.893 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 4.0 m -97.4 158.8 32.55 Favored Pre-proline 0 CA--C 1.545 0.766 0 O-C-N 123.656 0.598 . . . . 0.0 111.331 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 6.6 Cg_exo -75.11 157.9 42.04 Favored 'Trans proline' 0 C--N 1.376 1.984 0 C-N-CA 122.685 2.256 . . . . 0.0 112.683 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -109.94 146.93 34.36 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.89 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -99.56 87.15 0.73 Allowed Glycine 0 C--N 1.337 0.591 0 O-C-N 123.676 0.61 . . . . 0.0 112.59 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 45.6 p -127.66 -42.27 1.63 Allowed 'General case' 0 C--O 1.236 0.348 0 O-C-N 123.703 0.296 . . . . 0.0 111.242 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 165.84 148.99 5.72 Favored Glycine 0 C--N 1.34 0.76 0 O-C-N 123.398 0.436 . . . . 0.0 112.543 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 89.0 m-85 -100.4 142.71 31.5 Favored 'General case' 0 C--O 1.235 0.312 0 C-N-CA 122.352 0.261 . . . . 0.0 110.925 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 141.14 66.03 0.03 OUTLIER Glycine 0 C--N 1.336 0.557 0 CA-C-N 115.88 -0.6 . . . . 0.0 112.477 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -100.78 147.8 25.65 Favored 'General case' 0 N--CA 1.465 0.322 0 O-C-N 123.604 0.238 . . . . 0.0 110.96 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 42.6 m-80 -116.93 -15.29 10.64 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.769 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -90.02 -21.08 22.54 Favored 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 111.882 0.327 . . . . 0.0 111.882 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -77.0 -31.1 56.21 Favored 'General case' 0 N--CA 1.471 0.585 0 N-CA-C 112.32 0.489 . . . . 0.0 112.32 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 13.6 mt -86.33 -26.77 24.69 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.955 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -73.43 -38.32 65.58 Favored 'General case' 0 N--CA 1.472 0.649 0 O-C-N 123.381 0.426 . . . . 0.0 111.915 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -64.67 -40.2 95.01 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.692 179.528 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -78.23 -31.45 49.3 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.474 179.791 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -71.75 -41.02 68.94 Favored 'General case' 0 N--CA 1.47 0.551 0 O-C-N 123.276 0.36 . . . . 0.0 111.383 179.336 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -75.97 -35.33 59.69 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.847 179.582 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 16.5 t -70.2 -41.98 72.95 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 123.299 0.374 . . . . 0.0 111.126 179.457 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 3.7 mp -72.71 -34.92 67.45 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.33 179.464 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -69.3 -34.99 75.54 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.104 178.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -74.79 -31.74 61.82 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.81 178.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -73.29 -32.66 64.77 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.522 178.799 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 23.8 mt -78.82 -33.12 16.16 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 178.735 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 -70.38 -35.84 73.75 Favored 'General case' 0 N--CA 1.473 0.684 0 O-C-N 123.367 0.417 . . . . 0.0 110.614 178.548 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 12.4 t80 -75.43 -36.03 60.84 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.83 178.265 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.656 ' O ' HG12 ' A' ' 120' ' ' ILE . 13.1 tp -69.46 -42.23 75.19 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.57 178.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -69.32 -34.9 75.35 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.954 179.155 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -68.64 -34.37 75.61 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.68 178.604 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.607 ' O ' HG23 ' A' ' 123' ' ' VAL . 16.9 mt -69.65 -40.56 76.39 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.336 179.054 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . 0.656 HG12 ' O ' ' A' ' 116' ' ' LEU . 22.7 mm -67.4 -35.87 74.82 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 O-C-N 123.346 0.404 . . . . 0.0 110.317 178.846 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -72.56 -30.2 64.22 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.427 179.211 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -76.06 -33.85 59.59 Favored 'General case' 0 N--CA 1.471 0.596 0 O-C-N 123.445 0.465 . . . . 0.0 111.832 179.504 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.607 HG23 ' O ' ' A' ' 119' ' ' LEU . 38.2 t -77.58 -33.9 19.79 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 178.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 74.7 mtp180 -71.09 -38.27 72.41 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.275 178.723 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -74.23 -38.82 63.42 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.883 179.444 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -75.54 -44.69 42.21 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 116.127 -0.488 . . . . 0.0 112.136 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 30.6 mmt180 70.2 -52.24 0.64 Allowed 'General case' 0 N--CA 1.487 1.406 0 C-N-CA 124.436 1.094 . . . . 0.0 112.427 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 154.65 -59.05 0.39 Allowed Glycine 0 C--N 1.338 0.683 0 O-C-N 123.302 0.376 . . . . 0.0 112.456 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -128.44 -42.65 1.47 Allowed 'General case' 0 C--O 1.236 0.372 0 C-N-CA 122.306 0.242 . . . . 0.0 111.164 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -102.56 136.38 42.5 Favored 'General case' 0 N--CA 1.465 0.291 0 O-C-N 123.381 0.425 . . . . 0.0 110.787 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -108.88 -44.61 3.97 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.105 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . 0.698 ' H ' ' CD ' ' A' ' 133' ' ' PRO . 3.4 m -142.26 -32.09 0.0 OUTLIER Pre-proline 0 CA--C 1.552 1.022 0 N-CA-C 113.391 0.886 . . . . 0.0 113.391 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . 0.698 ' CD ' ' H ' ' A' ' 132' ' ' VAL . 3.8 Cg_exo . . . . . 0 C--N 1.385 2.455 0 C-N-CA 122.028 1.819 . . . . 0.0 112.733 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.175 0 CA-C-O 119.233 -0.759 . . . . 0.0 112.765 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 5.1 Cg_exo -75.82 159.98 37.87 Favored 'Trans proline' 0 C--N 1.369 1.61 0 C-N-CA 123.073 2.515 . . . . 0.0 112.827 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 30.6 m-90 -98.93 146.88 25.54 Favored 'General case' 0 N--CA 1.465 0.302 0 O-C-N 123.591 0.557 . . . . 0.0 110.987 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 58.7 mttp -128.4 -31.09 2.31 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.446 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -90.04 144.11 26.19 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.145 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -128.12 -7.5 5.41 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.722 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 14.4 t -87.88 -16.25 34.45 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 122.505 0.322 . . . . 0.0 111.737 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 61.0 m80 -93.5 -36.77 12.27 Favored 'General case' 0 N--CA 1.468 0.443 0 O-C-N 123.241 0.338 . . . . 0.0 111.417 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.437 ' H ' HG13 ' A' ' 9' ' ' ILE . 1.1 pp -94.57 85.29 1.78 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 CA-C-O 121.432 0.634 . . . . 0.0 111.209 179.82 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 3.1 m -147.17 -35.59 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 CA-C-N 115.109 -0.95 . . . . 0.0 111.153 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 71.4 m -85.76 -18.99 31.44 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.91 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -95.78 -16.83 21.64 Favored 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 112.149 0.425 . . . . 0.0 112.149 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -92.49 -22.34 19.63 Favored 'General case' 0 N--CA 1.469 0.516 0 O-C-N 123.266 0.354 . . . . 0.0 111.832 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.5 m -75.61 -39.46 39.82 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 N-CA-C 112.646 0.61 . . . . 0.0 112.646 -179.552 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -65.29 -40.35 96.54 Favored Glycine 0 C--N 1.342 0.887 0 CA-C-N 116.312 -0.404 . . . . 0.0 113.768 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -75.87 -35.53 59.85 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 122.425 0.29 . . . . 0.0 111.692 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -73.88 -34.54 64.49 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.194 179.35 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.425 ' HB3' ' NH2' ' A' ' 124' ' ' ARG . 78.8 m -74.38 -36.09 63.53 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.651 178.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.567 ' O ' HG22 ' A' ' 23' ' ' VAL . 9.2 tt0 -70.13 -35.5 74.12 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.163 178.861 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -73.03 -39.79 65.66 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.736 179.51 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.496 ' O ' ' HB2' ' A' ' 25' ' ' LEU . 1.2 mp -72.26 -27.43 26.59 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.66 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.062 178.36 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -71.99 -45.21 43.0 Favored Glycine 0 C--N 1.346 1.134 0 O-C-N 123.49 0.493 . . . . 0.0 112.584 178.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.567 HG22 ' O ' ' A' ' 19' ' ' GLU . 3.3 m -71.06 -35.28 58.35 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 CA-C-O 120.715 0.293 . . . . 0.0 111.305 179.355 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -71.49 -33.61 69.42 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.963 178.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.496 ' HB2' ' O ' ' A' ' 21' ' ' ILE . 2.6 tt -69.61 -39.99 76.89 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 179.23 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 13.7 mt -67.85 -39.82 83.77 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.087 178.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 14.5 m-70 -69.85 -33.1 71.83 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.4 178.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.457 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 23.9 mt -74.88 -29.53 61.04 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.239 178.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.428 ' HG3' ' O ' ' A' ' 25' ' ' LEU . 45.0 mt-10 -72.0 -42.29 66.61 Favored 'General case' 0 N--CA 1.473 0.682 0 O-C-N 123.414 0.446 . . . . 0.0 110.884 178.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -69.79 -37.12 76.2 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.91 178.724 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 53.9 mt-30 -74.31 -26.16 60.0 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.322 178.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.457 ' HB2' ' O ' ' A' ' 28' ' ' LEU . 4.5 tt -73.64 -42.99 60.69 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.63 179.328 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.457 ' O ' ' HD2' ' A' ' 37' ' ' TYR . 8.7 mt -70.07 -37.66 75.54 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.766 178.853 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -71.97 -30.05 66.15 Favored Glycine 0 C--N 1.343 0.949 0 CA-C-N 115.716 -0.674 . . . . 0.0 112.587 178.807 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -81.08 -26.56 36.17 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 122.661 0.384 . . . . 0.0 111.708 179.107 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 37.3 mtt -79.84 -37.13 35.66 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 112.141 0.423 . . . . 0.0 112.141 179.652 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.457 ' HD2' ' O ' ' A' ' 33' ' ' LEU . 35.2 m-85 -81.18 -39.22 25.82 Favored 'General case' 0 N--CA 1.471 0.598 0 O-C-N 123.272 0.357 . . . . 0.0 111.901 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 14.2 t -86.58 -23.08 25.91 Favored 'General case' 0 N--CA 1.47 0.536 0 O-C-N 123.442 0.463 . . . . 0.0 111.817 179.769 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 71.3 m-70 62.25 108.88 0.02 OUTLIER 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 123.96 0.904 . . . . 0.0 111.856 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -142.76 157.8 44.28 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.9 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -98.52 -39.42 8.74 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.591 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.69 -39.32 88.05 Favored 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 112.522 0.564 . . . . 0.0 112.522 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 6.5 mp -70.16 -28.74 65.57 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-N 116.013 -0.54 . . . . 0.0 112.083 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -70.79 -37.92 73.34 Favored 'General case' 0 N--CA 1.471 0.596 0 O-C-N 123.302 0.376 . . . . 0.0 110.802 179.326 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 -72.01 -36.58 69.77 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.536 178.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 53.3 m -69.22 -37.26 77.96 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.361 178.589 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 20.2 mt -70.87 -36.36 72.76 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.871 179.411 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 11.9 tt0 -71.94 -39.37 69.46 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.47 179.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -71.78 -39.04 60.46 Favored Glycine 0 C--N 1.343 0.937 0 CA-C-N 116.073 -0.512 . . . . 0.0 112.9 179.571 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.502 ' O ' HG22 ' A' ' 54' ' ' VAL . 43.8 mt-10 -71.94 -35.67 69.67 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 122.767 0.427 . . . . 0.0 111.343 179.579 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.7 tt -72.35 -35.2 68.47 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.89 179.339 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 4.3 tp60 -74.85 -30.95 61.51 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.035 179.181 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 16.6 p -74.84 -36.64 62.38 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.578 179.082 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.502 HG22 ' O ' ' A' ' 50' ' ' GLU . 12.0 m -74.54 -33.96 34.01 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 O-C-N 123.315 0.385 . . . . 0.0 110.821 178.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 33.6 tttm -71.3 -37.25 71.83 Favored 'General case' 0 C--N 1.347 0.491 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.699 178.714 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -72.87 -33.56 66.17 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.082 178.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 12.0 p -73.76 -33.44 64.29 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.276 178.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 6.8 tp -72.86 -38.38 67.07 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.534 179.181 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.501 ' O ' HG13 ' A' ' 62' ' ' ILE . 54.8 mt-30 -69.38 -37.67 77.67 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.602 178.565 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.456 ' O ' ' HB2' ' A' ' 64' ' ' GLN . . . -70.09 -31.49 69.09 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.028 178.612 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 65.8 mmm -70.52 -42.43 71.26 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.506 179.013 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.501 HG13 ' O ' ' A' ' 59' ' ' GLN . 1.2 pt -75.48 -25.05 17.52 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 O-C-N 123.461 0.476 . . . . 0.0 111.751 179.082 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.6 tp -85.13 -23.37 28.47 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.162 179.149 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.456 ' HB2' ' O ' ' A' ' 60' ' ' ALA . 6.2 tt0 -87.66 -33.11 18.9 Favored 'General case' 0 N--CA 1.469 0.512 0 O-C-N 123.41 0.444 . . . . 0.0 111.273 179.581 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 11.4 mt -86.95 -38.14 16.93 Favored 'General case' 0 N--CA 1.47 0.531 0 O-C-N 123.425 0.453 . . . . 0.0 111.363 179.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -112.82 106.25 55.41 Favored Pre-proline 0 CA--C 1.542 0.653 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.507 179.571 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 25.0 Cg_exo -63.94 -36.18 51.03 Favored 'Trans proline' 0 C--N 1.374 1.887 0 C-N-CA 122.766 2.311 . . . . 0.0 113.69 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 18.9 p -139.21 143.9 38.25 Favored 'General case' 0 N--CA 1.465 0.325 0 O-C-N 123.315 0.384 . . . . 0.0 111.43 -179.733 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.453 ' NZ ' ' HB ' ' A' ' 62' ' ' ILE . 94.6 mttt -130.77 146.7 52.3 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.761 179.711 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -128.69 130.62 47.41 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.767 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -125.18 -43.06 1.96 Allowed 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.417 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 137.39 -160.27 25.04 Favored Glycine 0 C--N 1.34 0.77 0 O-C-N 123.516 0.51 . . . . 0.0 112.656 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -109.16 -42.31 4.44 Favored 'General case' 0 N--CA 1.465 0.292 0 C-N-CA 122.333 0.253 . . . . 0.0 111.236 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . 62.91 125.04 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 123.892 0.877 . . . . 0.0 112.239 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 40.2 p -127.9 149.86 50.13 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.092 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -100.02 141.67 32.54 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.888 -0.597 . . . . 0.0 111.087 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 52.1 m -101.32 147.66 26.05 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.94 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 27.1 p90 -98.67 118.37 63.19 Favored Pre-proline 0 CA--C 1.543 0.676 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.023 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 26.7 Cg_exo -63.76 141.6 79.42 Favored 'Trans proline' 0 C--N 1.376 2.02 0 C-N-CA 122.657 2.238 . . . . 0.0 113.084 179.473 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 5.9 t -137.38 -43.4 0.55 Allowed 'General case' 0 CA--C 1.537 0.443 0 O-C-N 123.707 0.63 . . . . 0.0 111.358 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -121.88 146.7 46.85 Favored 'General case' 0 C--O 1.236 0.37 0 O-C-N 123.388 0.43 . . . . 0.0 111.134 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 159.64 -80.94 0.15 Allowed Glycine 0 C--N 1.336 0.566 0 CA-C-N 115.943 -0.571 . . . . 0.0 112.492 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -98.64 -42.81 7.08 Favored 'General case' 0 C--O 1.234 0.25 0 O-C-N 123.667 0.275 . . . . 0.0 111.38 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 70.94 -50.63 0.68 Allowed 'General case' 0 N--CA 1.488 1.448 0 C-N-CA 124.383 1.073 . . . . 0.0 112.364 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -100.84 139.53 36.4 Favored 'General case' 0 N--CA 1.466 0.331 0 O-C-N 123.2 0.313 . . . . 0.0 110.826 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 7.2 t -137.44 126.55 24.46 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.997 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -106.67 145.65 31.73 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.905 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -123.79 142.21 51.31 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.085 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 5.8 mp -100.84 141.92 33.04 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.963 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 3.3 m -99.63 106.13 38.16 Favored Pre-proline 0 CA--C 1.545 0.772 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.221 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 25.7 Cg_exo -64.33 144.65 86.61 Favored 'Trans proline' 0 C--N 1.377 2.052 0 C-N-CA 122.617 2.212 . . . . 0.0 113.039 179.43 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -98.69 -43.5 6.78 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.34 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -169.11 130.49 2.07 Favored Glycine 0 C--N 1.34 0.772 0 O-C-N 123.461 0.476 . . . . 0.0 112.523 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 16.1 t -106.25 137.76 43.62 Favored 'General case' 0 C--O 1.234 0.271 0 C-N-CA 122.29 0.236 . . . . 0.0 110.663 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 148.77 55.44 0.02 OUTLIER Glycine 0 C--N 1.337 0.624 0 CA-C-N 115.827 -0.624 . . . . 0.0 112.493 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -105.91 -42.73 5.05 Favored 'General case' 0 N--CA 1.465 0.32 0 O-C-N 123.669 0.276 . . . . 0.0 111.204 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 144.34 57.87 0.02 OUTLIER Glycine 0 C--N 1.339 0.729 0 O-C-N 123.572 0.545 . . . . 0.0 112.52 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 57.8 mmtt -108.74 146.03 34.19 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 120.583 0.23 . . . . 0.0 110.912 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 51.6 m-80 -110.19 127.3 54.86 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.793 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -121.29 -29.36 4.5 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 115.839 -0.618 . . . . 0.0 110.954 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -76.81 -29.8 56.13 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 122.846 0.458 . . . . 0.0 112.016 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 25.3 mt -83.72 -26.77 29.48 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.83 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -74.88 -38.39 61.91 Favored 'General case' 0 N--CA 1.473 0.691 0 O-C-N 123.294 0.371 . . . . 0.0 111.758 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -64.56 -40.69 96.02 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 122.889 0.476 . . . . 0.0 111.758 179.61 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -77.03 -35.55 56.84 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.543 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -71.55 -38.93 70.95 Favored 'General case' 0 N--CA 1.47 0.555 0 O-C-N 123.473 0.483 . . . . 0.0 111.575 179.285 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -75.84 -32.84 59.97 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.749 179.414 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 44.7 p -71.28 -41.88 69.43 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.328 179.318 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 19.2 mt -73.25 -34.91 66.1 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.265 179.459 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -70.3 -34.78 73.14 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.244 179.107 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -75.53 -31.33 60.05 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.916 178.774 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -73.56 -33.48 64.7 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.491 178.773 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 27.7 mt -78.89 -33.13 15.99 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 O-C-N 123.289 0.368 . . . . 0.0 110.061 178.803 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 50.5 mt-30 -69.97 -36.05 74.91 Favored 'General case' 0 N--CA 1.471 0.596 0 O-C-N 123.369 0.418 . . . . 0.0 110.481 178.195 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -75.0 -35.86 61.98 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.992 178.592 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 11.6 tp -69.09 -35.89 76.98 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 115.43 -0.804 . . . . 0.0 110.654 178.754 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 92.3 mttt -72.5 -38.28 68.17 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.981 179.061 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -69.1 -31.77 70.73 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.217 178.277 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.589 ' O ' HG22 ' A' ' 123' ' ' VAL . 17.0 mt -71.11 -43.79 66.95 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.432 179.478 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 1.8 pp -69.54 -33.49 57.22 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.825 0 O-C-N 123.283 0.364 . . . . 0.0 111.164 179.15 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -72.98 -31.59 64.63 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.633 179.02 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -74.62 -37.13 62.9 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.699 179.592 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.589 HG22 ' O ' ' A' ' 119' ' ' LEU . 2.8 m -74.55 -34.05 34.2 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 O-C-N 123.346 0.404 . . . . 0.0 111.146 178.572 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . 0.425 ' NH2' ' HB3' ' A' ' 18' ' ' CYS . 97.9 mtt180 -71.1 -38.22 72.38 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.358 178.622 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -74.29 -36.4 63.76 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.936 179.767 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -75.24 -40.08 59.34 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 112.284 0.475 . . . . 0.0 112.284 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 3.3 mmp_? -98.29 129.45 44.99 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.985 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 114.49 55.24 0.4 Allowed Glycine 0 C--N 1.337 0.606 0 CA-C-N 115.872 -0.603 . . . . 0.0 112.495 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -112.04 133.69 54.05 Favored 'General case' 0 C--O 1.235 0.291 0 C-N-CA 122.283 0.233 . . . . 0.0 110.742 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -117.27 130.75 56.76 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.9 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 37.7 ttt180 -107.06 130.27 54.69 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.411 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 4.2 m -110.88 158.86 34.51 Favored Pre-proline 0 CA--C 1.544 0.72 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.336 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 7.1 Cg_exo . . . . . 0 C--N 1.377 2.027 0 C-N-CA 122.56 2.173 . . . . 0.0 112.728 179.774 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.172 0 CA-C-O 119.255 -0.747 . . . . 0.0 112.639 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -75.45 -35.36 2.88 Favored 'Trans proline' 0 C--N 1.369 1.644 0 C-N-CA 123.1 2.533 . . . . 0.0 113.031 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 12.4 t-105 -100.45 134.07 43.95 Favored 'General case' 0 C--O 1.234 0.276 0 O-C-N 123.504 0.502 . . . . 0.0 110.606 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -100.86 146.6 27.11 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.891 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -125.82 147.19 49.5 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.876 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -123.59 114.67 20.34 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.87 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.407 ' O ' HG22 ' A' ' 10' ' ' VAL . 13.9 t -146.09 -34.02 0.31 Allowed 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.46 -179.84 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 61.9 m80 -92.53 1.83 57.03 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 112.451 0.537 . . . . 0.0 112.451 -179.253 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.4 pp -89.92 0.19 8.42 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 N-CA-C 112.385 0.513 . . . . 0.0 112.385 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.407 HG22 ' O ' ' A' ' 7' ' ' SER . 4.8 m -90.12 -30.48 5.05 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 N-CA-C 112.079 0.399 . . . . 0.0 112.079 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 53.1 m -92.88 -15.77 26.02 Favored 'General case' 0 N--CA 1.467 0.397 0 O-C-N 123.435 0.459 . . . . 0.0 112.022 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -96.69 -25.86 15.39 Favored 'General case' 0 N--CA 1.467 0.392 0 N-CA-C 112.214 0.45 . . . . 0.0 112.214 -179.63 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -87.24 -22.21 25.36 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 112.22 0.452 . . . . 0.0 112.22 -179.659 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.1 m -72.54 -39.5 61.78 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 N-CA-C 112.546 0.573 . . . . 0.0 112.546 -179.692 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -64.08 -40.37 98.06 Favored Glycine 0 C--N 1.342 0.869 0 O-C-N 123.543 0.527 . . . . 0.0 113.728 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -75.38 -34.68 61.12 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 122.459 0.304 . . . . 0.0 111.403 179.808 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -74.24 -33.91 63.48 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.977 179.018 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.519 ' SG ' ' HD2' ' A' ' 124' ' ' ARG . 42.6 t -72.66 -38.51 67.61 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.839 178.822 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.571 ' O ' HG22 ' A' ' 23' ' ' VAL . 41.9 mt-10 -70.17 -37.2 75.11 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.645 179.25 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.415 ' O ' ' HB2' ' A' ' 24' ' ' LYS . . . -73.43 -36.61 65.96 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.642 179.601 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.416 HG22 ' O ' ' A' ' 18' ' ' CYS . 1.4 tp -73.69 -27.51 23.13 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.797 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.283 178.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -73.4 -45.09 31.36 Favored Glycine 0 C--N 1.347 1.145 0 CA-C-N 115.724 -0.671 . . . . 0.0 112.399 178.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.571 HG22 ' O ' ' A' ' 19' ' ' GLU . 3.2 m -71.3 -32.18 46.2 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.925 0 CA-C-O 120.744 0.307 . . . . 0.0 111.051 178.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.415 ' HB2' ' O ' ' A' ' 20' ' ' ALA . 47.4 tttt -73.11 -33.69 65.71 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.665 178.735 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.423 ' O ' ' HG3' ' A' ' 29' ' ' GLU . 6.7 tp -70.13 -40.56 74.77 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.029 178.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.8 mt -69.01 -39.66 79.17 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.269 179.303 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 10.6 t-80 -70.21 -31.78 69.37 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.745 178.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.463 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 2.7 tt -74.9 -30.64 61.35 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.94 179.118 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.423 ' HG3' ' O ' ' A' ' 25' ' ' LEU . 42.5 mt-10 -72.38 -41.67 66.08 Favored 'General case' 0 N--CA 1.473 0.678 0 O-C-N 123.516 0.51 . . . . 0.0 111.0 179.133 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -69.9 -37.24 75.92 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.937 178.67 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 12.9 tt0 -74.05 -27.19 60.8 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.965 179.136 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.463 ' HB2' ' O ' ' A' ' 28' ' ' LEU . 3.4 tt -74.7 -39.25 62.07 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.703 179.271 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.448 ' O ' ' HD1' ' A' ' 37' ' ' TYR . 4.7 tp -70.2 -39.94 74.88 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.607 179.139 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -72.09 -31.7 63.88 Favored Glycine 0 C--N 1.343 0.958 0 CA-C-N 115.669 -0.696 . . . . 0.0 113.007 179.078 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -81.24 -26.02 36.17 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 112.238 0.458 . . . . 0.0 112.238 179.635 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 16.8 mmt -82.92 -36.32 25.36 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 112.074 0.398 . . . . 0.0 112.074 -179.796 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.448 ' HD1' ' O ' ' A' ' 33' ' ' LEU . 29.7 m-85 -81.17 -35.39 31.5 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 112.087 0.403 . . . . 0.0 112.087 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 53.9 m -86.59 -27.23 24.01 Favored 'General case' 0 N--CA 1.469 0.48 0 O-C-N 123.373 0.42 . . . . 0.0 111.854 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 67.0 m80 61.53 110.14 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 123.854 0.862 . . . . 0.0 111.917 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -143.41 162.36 35.97 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.808 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -96.67 -41.24 8.6 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.677 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.81 -37.8 85.23 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 112.725 0.639 . . . . 0.0 112.725 -179.739 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.463 ' O ' ' HB2' ' A' ' 47' ' ' LEU . 6.4 mp -72.04 -28.54 63.42 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 112.363 0.505 . . . . 0.0 112.363 -179.639 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -73.46 -36.62 65.89 Favored 'General case' 0 N--CA 1.473 0.688 0 O-C-N 123.217 0.323 . . . . 0.0 111.411 179.426 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 54.4 mt-30 -72.64 -40.85 66.08 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.459 179.057 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 16.2 t -69.03 -35.79 77.02 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.802 178.612 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.463 ' HB2' ' O ' ' A' ' 43' ' ' LEU . 2.9 tt -70.76 -33.89 71.27 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.259 179.204 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.3 tp-100 -69.92 -43.58 71.38 Favored 'General case' 0 N--CA 1.472 0.66 0 O-C-N 123.443 0.465 . . . . 0.0 111.024 179.554 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -70.73 -37.77 66.83 Favored Glycine 0 C--N 1.343 0.942 0 CA-C-N 116.032 -0.531 . . . . 0.0 112.511 179.046 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.632 ' O ' HG23 ' A' ' 54' ' ' VAL . 39.5 mt-10 -71.13 -35.84 71.88 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 122.679 0.392 . . . . 0.0 111.203 179.321 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.418 ' HB2' ' O ' ' A' ' 47' ' ' LEU . 4.8 tp -70.81 -35.12 72.37 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.813 179.26 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 11.8 mm100 -72.5 -33.13 66.72 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.294 179.022 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 19.8 p -74.66 -35.5 62.83 Favored 'General case' 0 N--CA 1.473 0.688 0 O-C-N 123.389 0.43 . . . . 0.0 111.535 179.121 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.632 HG23 ' O ' ' A' ' 50' ' ' GLU . 71.7 t -74.11 -34.19 37.61 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.306 179.039 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 55.9 tttt -72.97 -37.22 67.14 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.929 179.287 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -73.05 -33.17 65.53 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.345 179.09 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.499 ' O ' ' HB2' ' A' ' 61' ' ' MET . 16.9 p -75.74 -33.22 60.24 Favored 'General case' 0 N--CA 1.472 0.647 0 O-C-N 123.501 0.501 . . . . 0.0 111.309 179.089 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -73.78 -37.01 65.11 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.522 179.03 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.457 ' O ' HG13 ' A' ' 62' ' ' ILE . 54.7 mt-30 -69.88 -41.35 74.88 Favored 'General case' 0 N--CA 1.471 0.583 0 O-C-N 123.557 0.536 . . . . 0.0 111.003 178.824 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -70.24 -30.32 67.35 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.295 178.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.573 ' O ' ' HB2' ' A' ' 65' ' ' LEU . 1.0 OUTLIER -73.6 -40.88 63.52 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.317 179.421 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.457 HG13 ' O ' ' A' ' 59' ' ' GLN . 2.2 pp -75.28 -27.1 19.19 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.564 179.781 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 2.9 tt -81.7 -29.78 32.85 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.706 178.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -90.94 -15.16 30.23 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.239 179.236 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.573 ' HB2' ' O ' ' A' ' 61' ' ' MET . 1.8 tt -73.23 -36.42 66.45 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 122.74 0.416 . . . . 0.0 111.672 179.651 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 12.0 mm100 -96.85 157.76 34.61 Favored Pre-proline 0 CA--C 1.541 0.601 0 O-C-N 123.464 0.478 . . . . 0.0 111.038 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 6.7 Cg_exo -74.61 142.96 29.84 Favored 'Trans proline' 0 C--N 1.376 1.997 0 C-N-CA 122.657 2.238 . . . . 0.0 112.838 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 18.7 p -140.6 126.91 19.86 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.98 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 55.5 mmtt -100.4 128.22 46.52 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.954 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -130.7 130.19 43.53 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.88 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -125.87 131.86 52.29 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.079 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 100.97 -132.44 10.94 Favored Glycine 0 C--N 1.338 0.646 0 CA-C-N 115.831 -0.622 . . . . 0.0 112.473 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -105.03 144.64 31.55 Favored 'General case' 0 C--O 1.235 0.294 0 O-C-N 123.63 0.253 . . . . 0.0 110.953 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -100.8 145.8 28.09 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.058 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 53.3 m -119.18 -43.01 2.65 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.229 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . 62.56 125.67 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 123.887 0.875 . . . . 0.0 112.321 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 52.9 m -124.52 145.61 49.46 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.903 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 90.0 m-85 -99.25 158.05 32.94 Favored Pre-proline 0 CA--C 1.54 0.577 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.884 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 7.3 Cg_exo -74.33 153.63 45.44 Favored 'Trans proline' 0 C--N 1.376 2.013 0 C-N-CA 122.557 2.171 . . . . 0.0 112.689 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 18.6 p -138.49 141.94 39.39 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.021 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -122.47 146.74 47.1 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.169 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 120.54 64.13 0.25 Allowed Glycine 0 C--N 1.338 0.646 0 CA-C-N 115.821 -0.627 . . . . 0.0 112.46 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -125.88 -41.79 1.94 Allowed 'General case' 0 C--O 1.235 0.323 0 O-C-N 123.643 0.261 . . . . 0.0 111.522 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 54.4 mt-30 -122.29 -41.26 2.42 Favored 'General case' 0 N--CA 1.467 0.425 0 O-C-N 123.417 0.448 . . . . 0.0 111.287 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -98.09 142.3 29.97 Favored 'General case' 0 N--CA 1.465 0.32 0 O-C-N 123.41 0.444 . . . . 0.0 111.01 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 18.4 p -113.15 148.7 34.83 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.107 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -129.11 -38.72 1.6 Allowed 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.264 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -93.35 -37.92 11.75 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.716 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 11.2 mt -95.36 131.1 41.83 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.092 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 4.0 m -136.75 159.21 71.19 Favored Pre-proline 0 CA--C 1.545 0.768 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.281 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 7.9 Cg_exo -73.66 157.21 48.62 Favored 'Trans proline' 0 C--N 1.377 2.041 0 C-N-CA 122.538 2.159 . . . . 0.0 112.782 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -127.71 145.98 50.72 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.894 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 172.02 -151.85 15.84 Favored Glycine 0 C--N 1.336 0.556 0 O-C-N 123.69 0.619 . . . . 0.0 112.606 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 16.0 t -103.98 145.37 30.25 Favored 'General case' 0 C--O 1.235 0.327 0 C-N-CA 122.33 0.252 . . . . 0.0 110.74 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 151.15 141.14 3.29 Favored Glycine 0 C--N 1.337 0.595 0 CA-C-N 115.836 -0.62 . . . . 0.0 112.478 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -115.44 129.61 56.62 Favored 'General case' 0 C--O 1.235 0.296 0 C-N-CA 122.334 0.254 . . . . 0.0 110.824 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 98.76 145.95 19.58 Favored Glycine 0 C--N 1.338 0.642 0 CA-C-N 115.841 -0.618 . . . . 0.0 112.478 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -128.61 126.83 41.05 Favored 'General case' 0 C--O 1.235 0.338 0 C-N-CA 122.343 0.257 . . . . 0.0 110.933 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 42.7 m-80 -132.26 -23.1 2.19 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.479 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -92.36 -19.4 22.13 Favored 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 112.269 0.47 . . . . 0.0 112.269 -179.613 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -67.98 -39.45 83.3 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 112.753 0.649 . . . . 0.0 112.753 -179.434 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.437 ' H ' HD23 ' A' ' 102' ' ' LEU . 0.3 OUTLIER -86.59 -27.58 23.81 Favored 'General case' 0 N--CA 1.471 0.618 0 O-C-N 123.361 0.413 . . . . 0.0 112.091 179.898 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -74.52 -41.0 61.4 Favored 'General case' 0 N--CA 1.471 0.617 0 O-C-N 123.247 0.342 . . . . 0.0 111.884 -179.799 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -64.67 -37.55 87.98 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.642 179.49 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 66.2 mttm -76.23 -36.74 58.4 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.596 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -71.43 -37.43 71.45 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.596 179.375 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -75.81 -33.67 60.13 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.627 179.277 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 57.7 m -71.63 -38.4 70.76 Favored 'General case' 0 N--CA 1.471 0.586 0 O-C-N 123.262 0.351 . . . . 0.0 111.366 179.248 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 21.9 mt -73.2 -37.91 66.3 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.226 179.22 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -69.64 -33.88 73.24 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.346 179.307 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.479 ' O ' ' HD1' ' A' ' 115' ' ' TYR . 92.8 mttt -75.27 -32.93 61.19 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.006 178.831 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.523 ' O ' ' HB2' ' A' ' 116' ' ' LEU . 41.9 mt-10 -73.35 -32.13 64.36 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.466 178.873 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 28.4 mt -78.42 -32.97 16.9 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 O-C-N 123.366 0.417 . . . . 0.0 109.911 178.483 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -67.39 -41.02 85.66 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.277 178.449 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . 0.479 ' HD1' ' O ' ' A' ' 111' ' ' LYS . 13.5 m-85 -72.24 -35.41 68.8 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.189 178.115 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.523 ' HB2' ' O ' ' A' ' 112' ' ' GLU . 2.7 tp -66.34 -37.51 85.5 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 115.186 -0.915 . . . . 0.0 111.04 178.841 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.528 ' O ' HG13 ' A' ' 120' ' ' ILE . 93.8 mttt -72.24 -38.84 68.83 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.027 179.427 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -68.88 -31.16 69.9 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.314 178.487 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.591 ' O ' HG22 ' A' ' 123' ' ' VAL . 13.1 mt -71.71 -43.76 65.34 Favored 'General case' 0 C--O 1.238 0.485 0 O-C-N 123.342 0.401 . . . . 0.0 111.42 179.545 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . 0.528 HG13 ' O ' ' A' ' 117' ' ' LYS . 1.1 pt -70.07 -32.95 53.03 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.359 178.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -72.86 -31.38 64.69 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.566 178.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -73.7 -39.3 64.45 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.635 179.421 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.591 HG22 ' O ' ' A' ' 119' ' ' LEU . 2.3 m -73.63 -33.05 37.66 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 O-C-N 123.299 0.374 . . . . 0.0 111.233 178.626 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . 0.519 ' HD2' ' SG ' ' A' ' 18' ' ' CYS . 71.4 mtp180 -70.65 -37.85 73.78 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.195 178.461 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -74.22 -34.21 63.61 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.619 179.256 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -75.26 -42.18 55.66 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 116.074 -0.512 . . . . 0.0 112.266 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 6.8 tpt180 -101.96 129.88 48.35 Favored 'General case' 0 C--O 1.235 0.311 0 O-C-N 123.312 0.382 . . . . 0.0 110.596 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -135.47 -140.05 4.13 Favored Glycine 0 C--N 1.336 0.571 0 CA-C-N 115.788 -0.642 . . . . 0.0 112.416 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 11.6 tptp -103.11 -43.22 5.54 Favored 'General case' 0 C--O 1.235 0.338 0 O-C-N 123.617 0.245 . . . . 0.0 110.888 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 56.4 mmtt -102.95 142.57 33.83 Favored 'General case' 0 N--CA 1.465 0.278 0 O-C-N 123.47 0.481 . . . . 0.0 110.899 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . 0.536 ' O ' ' HD3' ' A' ' 133' ' ' PRO . 84.7 mtm180 -101.49 140.25 36.03 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.801 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 3.1 m -100.26 96.54 5.2 Favored Pre-proline 0 CA--C 1.547 0.852 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.364 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . 0.536 ' HD3' ' O ' ' A' ' 131' ' ' ARG . 12.0 Cg_exo . . . . . 0 C--N 1.374 1.87 0 C-N-CA 122.712 2.275 . . . . 0.0 112.706 179.558 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.268 0 CA-C-O 119.338 -0.701 . . . . 0.0 112.664 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 5.9 Cg_exo -75.92 155.89 38.83 Favored 'Trans proline' 0 C--N 1.369 1.652 0 C-N-CA 123.091 2.528 . . . . 0.0 112.761 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' TRP . . . . . . . . . . . . . 94.3 m95 -99.8 138.62 36.63 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.819 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -129.32 145.48 51.37 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.024 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -112.64 155.79 23.84 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.53 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -93.95 111.47 23.19 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.039 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 16.5 t -139.75 -43.84 0.44 Allowed 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 115.619 -0.718 . . . . 0.0 110.857 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 61.2 m80 -121.61 -18.29 7.23 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.621 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.1 pp -89.77 83.4 2.14 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.531 0 CA-C-O 121.378 0.609 . . . . 0.0 111.162 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 3.2 m -146.09 -34.89 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 CA-C-N 115.087 -0.96 . . . . 0.0 111.405 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 67.5 m -82.62 -15.52 51.83 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 115.892 -0.595 . . . . 0.0 112.028 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -96.69 -16.13 21.09 Favored 'General case' 0 N--CA 1.466 0.355 0 O-C-N 123.351 0.407 . . . . 0.0 111.988 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -90.37 -22.27 21.57 Favored 'General case' 0 N--CA 1.471 0.598 0 O-C-N 123.334 0.397 . . . . 0.0 111.766 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.3 m -77.16 -37.65 26.3 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 N-CA-C 112.332 0.493 . . . . 0.0 112.332 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -58.92 -35.23 82.13 Favored Glycine 0 C--N 1.342 0.893 0 O-C-N 123.489 0.493 . . . . 0.0 113.694 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -76.87 -32.02 57.2 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 122.504 0.322 . . . . 0.0 111.218 179.46 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 58.7 mttp -75.61 -34.15 60.57 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.776 179.12 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.401 ' HA ' HG22 ' A' ' 21' ' ' ILE . 79.0 m -73.22 -39.81 65.21 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 115.833 -0.622 . . . . 0.0 110.754 178.819 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.568 ' O ' HG22 ' A' ' 23' ' ' VAL . 42.0 mt-10 -70.34 -35.02 73.34 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.379 179.091 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.93 -38.51 66.79 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.698 179.612 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.484 ' O ' ' HB2' ' A' ' 25' ' ' LEU . 3.7 tp -73.41 -27.5 23.78 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.804 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.339 178.828 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.21 -43.93 45.59 Favored Glycine 0 C--N 1.348 1.204 0 CA-C-N 115.855 -0.611 . . . . 0.0 112.321 178.54 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.568 HG22 ' O ' ' A' ' 19' ' ' GLU . 3.1 m -70.55 -36.08 64.32 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.866 0 CA-C-O 120.72 0.295 . . . . 0.0 111.077 178.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -70.15 -33.46 71.81 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.828 178.667 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.484 ' HB2' ' O ' ' A' ' 21' ' ' ILE . 2.9 tt -69.59 -39.69 77.15 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.853 179.22 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 14.2 mt -69.14 -37.94 78.55 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.391 179.123 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 22.3 m80 -71.75 -32.75 68.03 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.248 178.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.484 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 20.3 mt -74.97 -30.94 61.33 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.21 178.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -72.56 -40.78 66.4 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.873 179.154 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -69.74 -38.13 76.74 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.591 178.794 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -74.47 -25.43 59.39 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.401 178.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.484 ' HB2' ' O ' ' A' ' 28' ' ' LEU . 4.6 tt -73.24 -44.32 59.69 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.771 179.388 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 6.7 mt -71.71 -35.35 70.19 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.71 178.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -72.23 -29.98 65.69 Favored Glycine 0 C--N 1.345 1.035 0 CA-C-N 115.623 -0.717 . . . . 0.0 112.819 178.574 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -81.05 -31.18 34.61 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 122.585 0.354 . . . . 0.0 111.787 179.47 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 51.3 mtt -79.47 -32.52 42.62 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.913 179.695 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 9.0 t80 -81.21 -39.78 24.88 Favored 'General case' 0 N--CA 1.468 0.469 0 O-C-N 123.406 0.442 . . . . 0.0 111.445 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 14.7 t -86.62 -26.62 24.31 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.748 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 74.9 m-70 62.98 107.93 0.03 OUTLIER 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 123.846 0.858 . . . . 0.0 111.775 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -143.54 164.83 29.28 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.736 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -102.66 -41.91 6.08 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.624 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.99 -37.72 84.73 Favored 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 112.814 0.672 . . . . 0.0 112.814 -179.726 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.503 ' O ' ' HB2' ' A' ' 47' ' ' LEU . 6.3 mp -70.52 -28.79 65.21 Favored 'General case' 0 N--CA 1.472 0.657 0 N-CA-C 112.443 0.534 . . . . 0.0 112.443 -179.509 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -75.71 -34.5 60.38 Favored 'General case' 0 N--CA 1.472 0.636 0 O-C-N 123.266 0.353 . . . . 0.0 111.491 179.494 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -72.2 -42.43 65.82 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.647 179.209 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 51.5 m -69.15 -35.04 75.92 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.131 178.662 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.503 ' HB2' ' O ' ' A' ' 43' ' ' LEU . 4.7 tp -70.84 -33.95 71.18 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.604 179.208 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -73.18 -39.45 65.59 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.576 179.465 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -71.53 -37.77 62.09 Favored Glycine 0 C--N 1.342 0.892 0 O-C-N 123.506 0.504 . . . . 0.0 112.594 179.16 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.505 ' O ' HG22 ' A' ' 54' ' ' VAL . 43.2 mt-10 -72.36 -35.51 68.52 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 122.818 0.447 . . . . 0.0 111.151 179.316 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.423 ' HB2' ' O ' ' A' ' 47' ' ' LEU . 2.6 tt -71.67 -35.0 70.19 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.153 179.298 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -74.24 -33.37 63.3 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.085 179.12 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 19.8 p -73.03 -36.85 67.03 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.667 179.23 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.505 HG22 ' O ' ' A' ' 50' ' ' GLU . 15.0 m -74.96 -33.89 30.98 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.76 178.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 55.7 tttt -70.02 -35.98 74.74 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.751 178.699 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -72.77 -37.27 67.69 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.886 178.658 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 13.1 p -70.82 -34.58 71.85 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.117 178.784 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.581 ' O ' HG12 ' A' ' 62' ' ' ILE . 0.8 OUTLIER -71.02 -40.36 71.82 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.759 179.35 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 54.8 mt-30 -67.23 -35.68 80.07 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.481 178.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.497 ' O ' ' HB2' ' A' ' 64' ' ' GLN . . . -70.05 -31.17 68.67 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.87 178.224 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.528 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 13.9 ttt -68.87 -44.71 72.73 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.209 179.115 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.581 HG12 ' O ' ' A' ' 58' ' ' LEU . 1.9 mm -75.28 -25.11 17.83 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.939 0 O-C-N 123.284 0.365 . . . . 0.0 110.69 179.413 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.7 tp -83.74 -21.18 32.33 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.09 179.436 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.497 ' HB2' ' O ' ' A' ' 60' ' ' ALA . 11.5 tt0 -87.41 -36.98 17.44 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.183 179.547 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.528 ' HG ' ' O ' ' A' ' 61' ' ' MET . 0.8 OUTLIER -126.91 78.9 1.84 Allowed 'General case' 0 C--O 1.238 0.485 0 CA-C-O 121.589 0.709 . . . . 0.0 110.641 179.674 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -114.57 137.68 22.8 Favored Pre-proline 0 CA--C 1.542 0.646 0 CA-C-N 115.111 -0.949 . . . . 0.0 110.34 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_exo -61.74 144.65 97.33 Favored 'Trans proline' 0 C--N 1.377 2.06 0 C-N-CA 122.59 2.193 . . . . 0.0 113.15 179.713 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 19.0 p -113.51 -26.87 8.1 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.725 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -89.34 -39.37 13.49 Favored 'General case' 0 N--CA 1.468 0.467 0 O-C-N 123.35 0.406 . . . . 0.0 111.536 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -97.23 128.58 44.23 Favored 'General case' 0 N--CA 1.466 0.336 0 O-C-N 123.381 0.426 . . . . 0.0 110.91 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -126.47 146.8 49.96 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.095 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -167.15 124.21 1.2 Allowed Glycine 0 C--N 1.337 0.584 0 CA-C-N 115.853 -0.612 . . . . 0.0 112.516 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -99.25 -42.83 6.85 Favored 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 122.317 0.247 . . . . 0.0 111.174 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -114.38 137.77 51.4 Favored 'General case' 0 C--O 1.233 0.234 0 O-C-N 123.461 0.475 . . . . 0.0 111.093 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 52.5 m -127.04 -42.23 1.74 Allowed 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.313 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -121.2 131.42 54.23 Favored 'General case' 0 C--O 1.236 0.364 0 O-C-N 123.395 0.434 . . . . 0.0 111.073 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 39.5 p -127.27 131.01 50.61 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.02 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 90.4 m-85 -128.21 113.46 19.94 Favored Pre-proline 0 CA--C 1.541 0.605 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.826 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -64.95 142.7 76.34 Favored 'Trans proline' 0 C--N 1.375 1.973 0 C-N-CA 122.624 2.216 . . . . 0.0 112.884 179.496 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 19.1 p -136.98 138.46 40.56 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.106 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -125.62 -42.22 1.95 Allowed 'General case' 0 C--O 1.236 0.343 0 O-C-N 123.655 0.597 . . . . 0.0 111.408 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -178.6 129.85 1.46 Allowed Glycine 0 C--N 1.34 0.771 0 O-C-N 123.482 0.489 . . . . 0.0 112.446 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -125.41 130.27 51.55 Favored 'General case' 0 C--O 1.235 0.319 0 O-C-N 123.642 0.26 . . . . 0.0 111.123 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -129.67 -42.07 1.31 Allowed 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.225 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -98.73 -41.24 7.77 Favored 'General case' 0 N--CA 1.465 0.316 0 O-C-N 123.439 0.462 . . . . 0.0 110.956 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 7.6 t -95.84 159.05 15.17 Favored 'General case' 0 CA--C 1.537 0.449 0 O-C-N 123.404 0.44 . . . . 0.0 111.205 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 71.43 -48.25 0.67 Allowed 'General case' 0 N--CA 1.489 1.495 0 C-N-CA 124.46 1.104 . . . . 0.0 112.404 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -96.87 -42.58 7.88 Favored 'General case' 0 N--CA 1.465 0.304 0 O-C-N 123.207 0.317 . . . . 0.0 111.47 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 5.7 mp 62.69 125.4 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 123.957 0.903 . . . . 0.0 112.166 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 3.9 m -104.63 158.96 30.87 Favored Pre-proline 0 CA--C 1.545 0.762 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.17 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 7.8 Cg_exo -73.83 148.68 41.4 Favored 'Trans proline' 0 C--N 1.377 2.053 0 C-N-CA 122.541 2.161 . . . . 0.0 112.749 179.813 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -100.49 145.08 28.72 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.831 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 106.06 -106.83 2.65 Favored Glycine 0 C--N 1.337 0.628 0 CA-C-N 115.791 -0.64 . . . . 0.0 112.505 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 16.4 t -111.06 -42.95 3.84 Favored 'General case' 0 N--CA 1.465 0.294 0 O-C-N 123.671 0.277 . . . . 0.0 111.081 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 130.99 88.35 0.46 Allowed Glycine 0 C--N 1.34 0.805 0 O-C-N 123.435 0.46 . . . . 0.0 112.409 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 90.1 m-85 -121.45 145.13 48.25 Favored 'General case' 0 C--O 1.235 0.311 0 C-N-CA 122.295 0.238 . . . . 0.0 110.914 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -133.35 91.13 0.26 Allowed Glycine 0 C--N 1.337 0.586 0 O-C-N 123.701 0.626 . . . . 0.0 112.456 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -100.12 -40.64 7.5 Favored 'General case' 0 N--CA 1.468 0.437 0 O-C-N 123.661 0.271 . . . . 0.0 111.335 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . 0.465 HD22 HD12 ' A' ' 102' ' ' LEU . 17.0 m120 -97.87 114.11 26.1 Favored 'General case' 0 C--O 1.238 0.449 0 O-C-N 123.411 0.444 . . . . 0.0 111.012 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -139.53 -37.01 0.5 Allowed 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.115 179.775 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -76.65 -29.73 56.54 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.744 179.525 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.465 HD12 HD22 ' A' ' 99' ' ' ASN . 15.2 mt -84.23 -26.62 28.55 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.724 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -71.96 -39.37 69.41 Favored 'General case' 0 N--CA 1.473 0.714 0 O-C-N 123.278 0.361 . . . . 0.0 111.852 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -64.69 -39.71 94.13 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 122.848 0.459 . . . . 0.0 111.691 179.657 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.441 ' HA ' ' HG ' ' A' ' 108' ' ' SER . 96.8 mttt -76.72 -33.19 58.18 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.675 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -71.47 -40.27 70.38 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 123.432 0.457 . . . . 0.0 111.583 179.483 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -75.97 -33.72 59.78 Favored 'General case' 0 N--CA 1.469 0.476 0 O-C-N 123.651 0.594 . . . . 0.0 111.672 179.394 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . 0.441 ' HG ' ' HA ' ' A' ' 105' ' ' LYS . 50.5 p -71.02 -41.54 70.72 Favored 'General case' 0 N--CA 1.47 0.535 0 O-C-N 123.28 0.363 . . . . 0.0 111.291 179.404 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 22.7 mt -73.55 -35.11 65.45 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.28 179.446 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -69.31 -35.94 76.48 Favored 'General case' 0 N--CA 1.471 0.593 0 O-C-N 123.393 0.433 . . . . 0.0 111.257 179.196 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -74.98 -32.19 61.63 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.868 178.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.484 ' O ' ' HB2' ' A' ' 116' ' ' LEU . 40.3 mt-10 -73.58 -31.31 63.54 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.686 178.876 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 28.5 mt -80.06 -33.31 14.37 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 O-C-N 123.288 0.368 . . . . 0.0 110.068 178.782 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -69.71 -36.08 75.59 Favored 'General case' 0 N--CA 1.473 0.68 0 O-C-N 123.263 0.352 . . . . 0.0 110.241 178.158 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 12.6 t80 -75.26 -35.75 61.32 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-N 115.472 -0.785 . . . . 0.0 109.877 178.134 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.484 ' HB2' ' O ' ' A' ' 112' ' ' GLU . 5.1 tp -68.51 -38.93 81.36 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.946 178.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.46 ' O ' HG13 ' A' ' 120' ' ' ILE . 94.7 mttt -71.9 -37.03 70.18 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.883 179.11 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . 0.513 ' O ' ' HB2' ' A' ' 122' ' ' GLU . 3.3 t70 -69.47 -31.14 69.23 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.982 178.331 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.603 ' O ' HG22 ' A' ' 123' ' ' VAL . 15.7 mt -71.34 -43.44 67.0 Favored 'General case' 0 C--N 1.347 0.489 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.36 179.439 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . 0.46 HG13 ' O ' ' A' ' 117' ' ' LYS . 1.4 pp -70.1 -36.24 67.3 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 O-C-N 123.371 0.42 . . . . 0.0 111.326 178.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -73.1 -27.08 61.5 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.035 178.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . 0.513 ' HB2' ' O ' ' A' ' 118' ' ' ASP . 10.7 tt0 -75.87 -39.3 56.77 Favored 'General case' 0 C--N 1.346 0.431 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.378 179.537 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.603 HG22 ' O ' ' A' ' 119' ' ' LEU . 1.1 m -73.33 -33.3 40.41 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 O-C-N 123.309 0.381 . . . . 0.0 110.984 178.519 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 78.9 mtp180 -70.39 -40.09 74.15 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.872 178.475 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -74.52 -33.35 62.75 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.692 178.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -75.37 -41.9 55.33 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 116.02 -0.536 . . . . 0.0 112.248 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 30.5 ttt180 -125.05 138.61 54.19 Favored 'General case' 0 C--O 1.236 0.351 0 O-C-N 123.421 0.451 . . . . 0.0 110.639 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 158.32 98.85 0.15 Allowed Glycine 0 C--N 1.336 0.568 0 CA-C-N 115.909 -0.587 . . . . 0.0 112.501 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -104.47 141.25 36.7 Favored 'General case' 0 C--O 1.236 0.373 0 O-C-N 123.613 0.243 . . . . 0.0 110.872 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -129.71 150.65 50.93 Favored 'General case' 0 C--O 1.236 0.354 0 O-C-N 123.62 0.575 . . . . 0.0 110.939 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -97.07 -42.32 7.93 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.287 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 3.9 m -136.36 158.75 72.87 Favored Pre-proline 0 CA--C 1.545 0.752 0 O-C-N 123.333 0.396 . . . . 0.0 111.298 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 6.5 Cg_exo . . . . . 0 C--N 1.376 1.997 0 C-N-CA 122.548 2.166 . . . . 0.0 112.761 179.845 . . . . . . . . 0 0 . 1 stop_ save_