data_2n72_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 2n72 _Structure_validation_residue.Date_analyzed 2016-10-08 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 ' 4' ' ' LYS . . . . . . . . . . . . . 72.6 mmtt . . . . . 0 N--CA 1.469 0.522 0 N-CA-C 116.129 1.9 . . . . 25.0 116.129 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 23.1 pt20 -67.47 -22.26 65.48 Favored 'General case' 0 N--CA 1.468 0.438 0 N-CA-C 114.117 1.154 . . . . 25.0 114.117 -174.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 16.6 mm-40 -61.87 -37.12 83.37 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 121.544 0.688 . . . . 50.0 109.906 177.65 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 16.4 mt -67.61 -37.44 78.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.403 -0.817 . . . . 50.0 108.867 -178.608 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 69.7 mtp -65.81 -36.96 84.98 Favored 'General case' 0 C--O 1.223 -0.339 0 O-C-N 122.091 -0.381 . . . . 50.0 111.111 178.392 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.45 -40.81 85.39 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.229 0.538 . . . . 25.0 110.044 178.688 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.1 -46.03 82.75 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.161 0.505 . . . . 25.0 110.312 178.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 57.2 mt -63.15 -33.08 74.69 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.853 -0.612 . . . . 50.0 110.686 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -57.95 -51.08 71.12 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 110.199 -0.297 . . . . 50.0 110.199 178.137 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 19.8 m -65.3 -36.99 85.76 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 112.307 0.484 . . . . 25.0 112.307 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 20.5 mm-40 -71.39 -28.26 63.9 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.986 0.735 . . . . 50.0 112.986 -177.156 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 74.5 p -112.13 5.75 18.74 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 113.149 0.796 . . . . 25.0 113.149 -175.039 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.35 -68.64 0.16 Allowed 'General case' 0 CA--C 1.533 0.315 0 N-CA-C 113.67 0.989 . . . . 25.0 113.67 -174.528 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.9 p -70.7 -27.31 30.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 C-N-CA 120.128 -0.629 . . . . 50.0 110.619 -177.569 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 37.0 tt0 -59.76 -47.81 84.18 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 120.973 0.416 . . . . 50.0 110.339 179.353 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 16.5 m-30 -81.99 -24.69 35.31 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.477 -0.328 . . . . 50.0 111.078 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 46.6 tt0 -62.47 -41.22 98.62 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 122.056 -0.402 . . . . 50.0 111.077 178.35 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -62.89 -39.9 95.92 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.853 -0.425 . . . . 50.0 109.853 179.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 86.4 t80 -69.29 -43.26 74.2 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.039 0.447 . . . . 50.0 111.749 177.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.44 -36.91 81.7 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 122.117 -0.365 . . . . 25.0 111.253 -177.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.35 -26.07 67.11 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.542 -0.299 . . . . 25.0 111.619 179.37 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -76.65 -28.99 56.23 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.015 0.436 . . . . 50.0 110.077 178.439 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 30.1 mm100 -89.01 -44.42 10.41 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 113.06 0.763 . . . . 50.0 113.06 -176.279 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -122.47 67.12 27.37 Favored Pre-proline 0 C--O 1.241 0.654 0 CA-C-N 116.154 -0.476 . . . . 50.0 109.86 179.453 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -68.64 142.34 52.86 Favored 'Trans proline' 0 C--N 1.348 0.548 0 C-N-CA 115.761 -2.359 . . . . 50.0 111.677 -177.063 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 82.31 -15.77 27.07 Favored Glycine 0 C--O 1.223 -0.573 0 N-CA-C 114.905 0.722 . . . . 25.0 114.905 -178.623 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 8.4 m120 -109.34 84.18 1.88 Allowed 'General case' 0 CA--C 1.514 -0.441 0 CA-C-N 118.249 1.024 . . . . 50.0 109.92 -178.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 52.1 t80 -55.09 -42.28 72.64 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.648 -0.705 . . . . 50.0 110.979 178.569 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -57.71 -46.8 83.91 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 112.36 0.504 . . . . 50.0 112.36 179.225 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 80.9 mt-30 -72.56 -33.45 66.8 Favored 'General case' 0 CA--C 1.508 -0.667 0 O-C-N 122.128 -0.358 . . . . 50.0 111.241 -178.401 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 68.7 mt-30 -58.55 -38.17 77.27 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.201 -0.666 . . . . 50.0 109.201 175.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 95.6 mm-40 -71.63 -39.39 70.45 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-O 120.961 0.41 . . . . 50.0 111.06 -177.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 72.9 mt -63.13 -42.34 96.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 109.337 -0.616 . . . . 50.0 109.337 178.584 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 47.3 tp -63.04 -49.66 73.69 Favored 'General case' 0 C--O 1.22 -0.478 0 CA-C-N 116.486 -0.324 . . . . 50.0 110.79 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 61.4 mt -56.59 -39.78 64.74 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 CA-C-O 120.641 0.257 . . . . 50.0 110.803 179.079 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 70.4 ttt180 -57.12 -43.71 82.59 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.571 0.224 . . . . 50.0 110.99 178.533 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 47.5 tt0 -73.34 -34.64 65.76 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 111.637 0.236 . . . . 25.0 111.637 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 98.3 mt -62.34 -39.47 93.2 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 109.177 -0.675 . . . . 50.0 109.177 179.085 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -68.06 -36.26 79.57 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.517 -0.311 . . . . 50.0 111.214 179.355 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -68.9 -40.8 78.93 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.046 0.451 . . . . 25.0 110.343 179.323 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -68.86 -37.31 79.0 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 121.715 -0.615 . . . . 25.0 109.647 178.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 66.0 t-80 -62.16 -32.99 73.66 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 121.857 -0.527 . . . . 50.0 109.929 175.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 20.9 t80 -63.4 -34.49 77.84 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 121.69 -0.632 . . . . 25.0 111.099 178.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -65.8 -43.18 89.48 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.035 -0.728 . . . . 25.0 109.035 178.487 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 41.7 tt0 -64.35 -41.18 96.89 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.197 -0.456 . . . . 50.0 109.787 178.183 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 22.4 t80 -60.26 -39.73 87.84 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.132 0.491 . . . . 50.0 110.49 179.424 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.327 -0.403 0 O-C-N 121.868 -0.52 . . . . 50.0 111.654 179.057 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 25.5 pttm . . . . . 0 N--CA 1.48 1.07 0 N-CA-C 114.712 1.375 . . . . 25.0 114.712 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -69.93 -26.93 64.37 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 113.307 0.854 . . . . 25.0 113.307 -176.205 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 16.5 mm100 -62.62 -40.45 97.0 Favored 'General case' 0 N--CA 1.471 0.625 0 CA-C-O 121.409 0.623 . . . . 50.0 109.599 177.635 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 39.4 mt -68.41 -43.03 84.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 114.515 -1.22 . . . . 50.0 108.308 -176.536 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 75.3 mtp -63.07 -39.81 95.82 Favored 'General case' 0 C--O 1.215 -0.719 0 CA-C-N 116.305 -0.407 . . . . 50.0 110.801 177.61 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.99 -40.01 96.46 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 121.717 -0.615 . . . . 25.0 110.545 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.8 -44.1 82.15 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-O 120.985 0.421 . . . . 25.0 111.274 178.502 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 63.9 mt -64.13 -39.79 94.8 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.795 0.331 . . . . 50.0 110.364 178.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 66.9 m-20 -63.94 -36.21 83.22 Favored 'General case' 0 C--O 1.21 -0.986 0 N-CA-C 109.78 -0.452 . . . . 50.0 109.78 179.503 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 22.4 t -65.72 -34.68 78.76 Favored 'General case' 0 N--CA 1.469 0.512 0 O-C-N 121.728 -0.607 . . . . 25.0 111.287 179.467 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 69.0 mt-30 -73.51 -25.66 60.53 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-O 120.788 0.327 . . . . 50.0 111.782 -178.715 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 60.3 p -112.78 -3.64 14.16 Favored 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 113.723 1.009 . . . . 25.0 113.723 -172.209 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -49.46 -61.56 2.03 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 113.321 0.86 . . . . 25.0 113.321 -174.554 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.7 p -75.52 -28.99 20.39 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.577 0 CA-C-O 120.886 0.374 . . . . 50.0 111.515 -178.212 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 27.1 tt0 -64.06 -47.99 77.98 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-O 121.394 0.616 . . . . 50.0 110.751 -178.082 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 19.5 m-30 -74.59 -24.09 58.83 Favored 'General case' 0 C--O 1.215 -0.761 0 CA-C-N 116.216 -0.447 . . . . 50.0 110.255 178.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 19.7 tt0 -63.42 -40.11 96.29 Favored 'General case' 0 C--N 1.323 -0.582 0 O-C-N 121.818 -0.551 . . . . 50.0 111.622 178.541 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -64.86 -41.48 95.64 Favored 'General case' 0 C--O 1.218 -0.566 0 C-N-CA 120.468 -0.493 . . . . 50.0 110.218 179.008 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 62.3 t80 -65.56 -41.91 92.44 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.367 0.603 . . . . 50.0 110.554 177.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.75 -37.69 88.44 Favored 'General case' 0 C--N 1.317 -0.814 0 O-C-N 121.859 -0.526 . . . . 25.0 110.717 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.83 -30.33 69.71 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.794 -0.447 . . . . 25.0 109.794 179.66 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -71.49 -28.6 64.03 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.288 0.566 . . . . 50.0 110.993 179.284 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -91.96 -45.21 8.46 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.541 -0.754 . . . . 50.0 112.489 -176.175 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -122.73 67.13 29.54 Favored Pre-proline 0 C--N 1.326 -0.419 0 CA-C-N 116.191 -0.458 . . . . 50.0 111.035 179.575 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -68.08 142.34 55.86 Favored 'Trans proline' 0 C--N 1.35 0.61 0 C-N-CA 116.21 -2.06 . . . . 50.0 112.32 -178.441 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 82.11 -12.24 44.84 Favored Glycine 0 C--O 1.228 -0.249 0 N-CA-C 114.952 0.741 . . . . 25.0 114.952 -179.454 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -112.73 85.9 2.26 Favored 'General case' 0 N--CA 1.466 0.346 0 O-C-N 121.493 -1.004 . . . . 50.0 111.167 -178.374 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 24.6 t80 -54.34 -43.33 71.14 Favored 'General case' 0 C--O 1.217 -0.652 0 N-CA-C 111.903 0.334 . . . . 50.0 111.903 179.469 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 19.8 pt-20 -63.27 -43.12 98.87 Favored 'General case' 0 C--O 1.216 -0.675 0 N-CA-C 113.119 0.785 . . . . 50.0 113.119 -178.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 86.1 mm-40 -69.15 -36.19 77.15 Favored 'General case' 0 CA--C 1.509 -0.62 0 CA-C-O 121.365 0.602 . . . . 50.0 110.281 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -59.02 -36.67 75.36 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.082 -0.71 . . . . 50.0 109.082 175.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 93.0 mm-40 -75.04 -36.01 61.87 Favored 'General case' 0 N--CA 1.47 0.532 0 O-C-N 121.946 -0.472 . . . . 50.0 110.881 -177.133 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 86.0 mt -60.99 -45.24 98.91 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 N-CA-C 108.665 -0.865 . . . . 50.0 108.665 178.187 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 38.7 tp -62.13 -51.01 69.6 Favored 'General case' 0 C--O 1.22 -0.458 0 CA-C-N 116.583 -0.28 . . . . 50.0 111.404 179.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 71.4 mt -56.26 -42.79 74.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 N-CA-C 112.285 0.476 . . . . 50.0 112.285 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 94.8 mtm-85 -62.52 -38.98 92.07 Favored 'General case' 0 N--CA 1.474 0.751 0 O-C-N 121.541 -0.725 . . . . 50.0 110.88 179.43 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 36.7 tp60 -64.48 -39.77 94.42 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.805 0.336 . . . . 25.0 110.181 179.543 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 82.9 mt -64.78 -42.05 95.38 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-O 121.459 0.647 . . . . 50.0 110.849 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -68.73 -35.19 76.81 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 115.787 -0.642 . . . . 50.0 111.385 -176.221 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -64.08 -43.0 96.75 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.256 0.55 . . . . 25.0 110.342 177.132 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 63.0 tp60 -69.56 -35.88 75.8 Favored 'General case' 0 CA--C 1.542 0.648 0 O-C-N 121.755 -0.59 . . . . 25.0 111.357 178.511 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 29.0 t-80 -63.77 -33.93 76.77 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.135 0.493 . . . . 50.0 110.771 177.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 32.6 t80 -61.32 -35.17 76.65 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.383 -0.371 . . . . 25.0 111.428 178.622 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -61.1 -39.61 90.61 Favored 'General case' 0 C--N 1.322 -0.618 0 O-C-N 122.247 -0.283 . . . . 25.0 111.742 178.45 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 66.3 tt0 -63.47 -42.57 98.58 Favored 'General case' 0 N--CA 1.456 -0.135 0 N-CA-C 110.013 -0.365 . . . . 50.0 110.013 179.287 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 33.0 t80 -64.04 -39.86 95.02 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-O 120.682 0.277 . . . . 50.0 111.54 178.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.457 0 C-N-CA 121.113 -0.235 . . . . 50.0 111.085 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 19.1 pttp . . . . . 0 C--O 1.215 -0.76 0 N-CA-C 115.797 1.777 . . . . 25.0 115.797 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -61.16 -28.56 69.21 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 112.893 0.701 . . . . 25.0 112.893 179.67 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -65.76 -42.78 90.47 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 121.666 0.746 . . . . 50.0 109.693 177.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 30.4 mt -69.18 -40.56 80.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 N-CA-C 108.306 -0.998 . . . . 50.0 108.306 -177.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 74.5 mtp -61.92 -42.23 98.86 Favored 'General case' 0 C--O 1.212 -0.88 0 CA-C-N 116.593 -0.276 . . . . 50.0 110.448 178.154 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.31 -39.65 91.27 Favored 'General case' 0 CA--C 1.537 0.473 0 O-C-N 121.81 -0.556 . . . . 25.0 111.073 179.308 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.71 -46.5 78.73 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 110.322 -0.251 . . . . 25.0 110.322 179.217 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 82.1 mt -63.16 -40.96 99.07 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 120.868 0.366 . . . . 50.0 111.081 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 62.0 m-20 -60.91 -34.25 74.39 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.085 -0.507 . . . . 50.0 110.859 -178.572 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 32.3 m -69.07 -30.01 68.25 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 111.854 0.316 . . . . 25.0 111.854 -179.468 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 94.7 mm-40 -75.78 -38.46 58.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.242 0.544 . . . . 50.0 111.194 -178.423 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 68.5 p -98.52 -3.6 36.14 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 114.283 1.216 . . . . 25.0 114.283 -172.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -41.01 -68.58 0.17 Allowed 'General case' 0 N--CA 1.468 0.471 0 N-CA-C 115.712 1.745 . . . . 25.0 115.712 -172.253 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 10.0 p -71.24 -29.53 36.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 C-N-CA 120.76 -0.376 . . . . 50.0 111.813 -174.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 8.0 tm0? -68.21 -43.13 78.72 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.493 0.663 . . . . 50.0 109.683 -178.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 10.9 m-30 -70.67 -29.62 66.01 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.041 -0.527 . . . . 50.0 109.582 177.263 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 47.3 tt0 -65.7 -37.74 87.3 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 122.178 -0.326 . . . . 50.0 111.106 177.158 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 87.4 mt-30 -64.25 -41.21 97.07 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 110.013 -0.365 . . . . 50.0 110.013 177.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 72.4 t80 -65.75 -43.95 87.41 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.068 0.461 . . . . 50.0 110.482 176.274 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.93 -38.21 87.58 Favored 'General case' 0 C--N 1.323 -0.584 0 O-C-N 121.989 -0.444 . . . . 25.0 111.283 -178.379 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.2 -23.31 62.93 Favored 'General case' 0 C--O 1.217 -0.61 0 CA-C-N 116.772 -0.194 . . . . 25.0 111.116 179.157 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 39.8 tt0 -76.95 -18.71 58.08 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.047 0.451 . . . . 50.0 110.175 178.193 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -100.2 -47.83 4.82 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.143 0.497 . . . . 50.0 111.459 -179.31 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -121.84 69.73 26.85 Favored Pre-proline 0 C--N 1.325 -0.484 0 CA-C-N 116.089 -0.505 . . . . 50.0 110.999 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -66.05 141.87 65.72 Favored 'Trans proline' 0 C--O 1.22 -0.383 0 C-N-CA 116.005 -2.196 . . . . 50.0 113.261 -176.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 80.87 -28.04 2.9 Favored Glycine 0 CA--C 1.523 0.538 0 N-CA-C 115.173 0.829 . . . . 25.0 115.173 -178.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -91.46 86.83 6.19 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 117.841 0.82 . . . . 50.0 110.571 -175.659 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 80.0 t80 -54.8 -45.29 74.33 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.013 -0.539 . . . . 50.0 112.265 -179.43 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -61.27 -46.4 90.49 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 121.838 -0.539 . . . . 50.0 111.847 -178.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 19.7 mm100 -65.77 -38.31 88.69 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 121.924 -0.485 . . . . 50.0 110.734 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -58.54 -38.4 77.71 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.014 -0.736 . . . . 50.0 109.014 177.194 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 93.5 mm-40 -73.74 -36.02 65.1 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 120.948 -0.301 . . . . 50.0 111.173 -176.465 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 81.9 mt -61.18 -47.32 94.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 108.142 -1.059 . . . . 50.0 108.142 176.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 31.5 tp -62.32 -46.56 88.16 Favored 'General case' 0 C--O 1.218 -0.582 0 CA-C-N 116.193 -0.458 . . . . 50.0 111.754 -178.72 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 52.1 mt -57.13 -42.17 79.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 122.319 -0.238 . . . . 50.0 110.499 178.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 95.5 mtm-85 -66.24 -35.66 81.01 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.151 -0.62 . . . . 50.0 111.537 178.441 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 55.6 mt-30 -65.07 -40.42 94.67 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 117.906 0.321 . . . . 25.0 110.228 176.506 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 81.9 mt -62.45 -46.66 87.5 Favored 'General case' 0 C--O 1.217 -0.656 0 N-CA-C 108.783 -0.821 . . . . 50.0 108.783 178.442 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -64.49 -34.92 79.33 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 111.976 0.361 . . . . 50.0 111.976 -177.539 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.3 tm-20 -67.06 -48.41 68.33 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.749 -0.463 . . . . 25.0 109.749 176.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 37.9 tp60 -63.43 -39.94 95.82 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.085 0.469 . . . . 25.0 111.241 179.738 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 87.2 m-70 -72.69 -16.92 61.67 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 121.955 -0.466 . . . . 50.0 111.583 178.642 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 65.1 t80 -68.38 -37.37 80.34 Favored 'General case' 0 C--N 1.327 -0.396 0 O-C-N 121.381 -0.824 . . . . 25.0 108.87 173.655 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 70.0 mm-40 -64.15 -42.52 96.74 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 108.757 -0.831 . . . . 25.0 108.757 177.291 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 42.5 tt0 -61.83 -41.08 97.35 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.126 -0.488 . . . . 50.0 110.458 177.116 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 35.8 t80 -63.49 -36.69 84.61 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.766 0.317 . . . . 50.0 110.802 179.685 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.323 -0.583 0 O-C-N 122.023 -0.423 . . . . 50.0 110.552 177.535 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 96.7 mttt . . . . . 0 N--CA 1.468 0.471 0 N-CA-C 114.205 1.187 . . . . 25.0 114.205 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -60.84 -31.69 71.12 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-N 119.077 0.853 . . . . 25.0 112.122 -179.051 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -55.99 -39.79 72.36 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-O 121.598 0.713 . . . . 50.0 111.258 177.173 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 29.0 mt -77.73 -43.08 29.4 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.779 0 N-CA-C 108.944 -0.761 . . . . 50.0 108.944 -178.218 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 83.7 mtp -61.82 -39.03 90.35 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.894 -0.593 . . . . 50.0 111.974 -177.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.17 -41.68 89.01 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-O 121.307 0.575 . . . . 25.0 111.665 179.349 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.31 -40.9 90.25 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.985 -0.552 . . . . 25.0 111.804 -179.311 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 89.0 mt -66.46 -40.67 89.51 Favored 'General case' 0 C--O 1.223 -0.314 0 CA-C-O 120.737 0.304 . . . . 50.0 110.441 177.569 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -59.0 -35.17 72.79 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 115.959 -0.564 . . . . 50.0 110.604 -177.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 36.2 t -62.83 -44.36 96.36 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 111.953 0.353 . . . . 25.0 111.953 -179.752 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 97.1 mm-40 -68.97 -30.69 69.17 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.165 0.507 . . . . 50.0 111.89 -176.151 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 41.4 p -103.81 5.29 35.87 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 113.021 0.748 . . . . 25.0 113.021 -174.681 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.72 -69.55 0.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 114.342 1.238 . . . . 25.0 114.342 -171.378 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.2 p -70.59 -26.51 28.66 Favored 'Isoleucine or valine' 0 C--O 1.237 0.396 0 CA-C-N 116.13 -0.486 . . . . 50.0 110.702 -176.307 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 48.2 tt0 -62.08 -50.63 71.2 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.331 -0.395 . . . . 50.0 110.318 178.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 14.8 m-30 -72.97 -28.58 62.48 Favored 'General case' 0 C--O 1.216 -0.692 0 N-CA-C 109.89 -0.411 . . . . 50.0 109.89 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 31.3 tt0 -63.8 -42.48 97.69 Favored 'General case' 0 C--O 1.22 -0.482 0 CA-C-N 117.997 0.362 . . . . 50.0 111.783 178.01 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 60.0 mm-40 -68.08 -41.42 81.92 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.255 -0.646 . . . . 50.0 109.255 178.412 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 77.9 t80 -59.79 -42.78 94.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.172 0.511 . . . . 50.0 111.479 177.691 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.19 -35.58 79.94 Favored 'General case' 0 C--N 1.323 -0.582 0 O-C-N 121.989 -0.444 . . . . 25.0 111.288 -178.148 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.79 -28.39 68.35 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.581 -0.526 . . . . 25.0 109.581 176.575 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 38.4 tt0 -81.38 -5.96 58.42 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 122.487 0.315 . . . . 50.0 110.719 -179.089 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 59.3 mm-40 -109.66 -47.07 3.41 Favored 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 112.615 0.598 . . . . 50.0 112.615 176.201 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -120.8 70.49 18.47 Favored Pre-proline 0 N--CA 1.466 0.342 0 CA-C-O 120.864 0.364 . . . . 50.0 110.047 179.737 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 67.7 Cg_endo -67.91 141.85 55.07 Favored 'Trans proline' 0 CA--C 1.54 0.8 0 C-N-CA 116.097 -2.135 . . . . 50.0 112.433 -179.342 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 84.88 -15.97 39.81 Favored Glycine 0 C--O 1.222 -0.656 0 N-CA-C 115.096 0.798 . . . . 25.0 115.096 -178.51 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 17.7 m120 -110.17 85.61 2.14 Favored 'General case' 0 CA--C 1.511 -0.547 0 CA-C-N 118.429 1.114 . . . . 50.0 112.115 -177.291 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 62.2 t80 -54.96 -45.07 74.89 Favored 'General case' 0 C--O 1.219 -0.521 0 CA-C-N 116.096 -0.502 . . . . 50.0 111.987 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -59.42 -45.67 90.89 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.536 -0.466 . . . . 50.0 111.926 -179.042 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 77.0 mm-40 -69.66 -35.03 74.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 121.422 -0.799 . . . . 50.0 110.775 -179.581 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -58.53 -37.75 76.29 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.559 -0.534 . . . . 50.0 109.559 176.536 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 87.5 mm-40 -72.67 -38.42 67.62 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 120.519 -0.473 . . . . 50.0 110.991 -177.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 80.1 mt -61.94 -44.14 98.49 Favored 'Isoleucine or valine' 0 C--O 1.238 0.471 0 N-CA-C 109.38 -0.6 . . . . 50.0 109.38 178.211 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 32.3 tp -62.18 -48.52 79.66 Favored 'General case' 0 C--O 1.219 -0.54 0 CA-C-N 115.839 -0.619 . . . . 50.0 111.167 179.445 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 58.9 mt -58.63 -40.58 79.64 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 N-CA-C 109.523 -0.547 . . . . 50.0 109.523 178.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 55.1 ttt85 -57.4 -44.77 84.84 Favored 'General case' 0 N--CA 1.474 0.725 0 O-C-N 122.013 -0.429 . . . . 50.0 110.352 177.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -64.95 -40.91 95.74 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 112.239 0.459 . . . . 25.0 112.239 175.264 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 95.9 mt -62.0 -42.97 99.74 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.455 -0.498 . . . . 50.0 110.706 -178.438 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 34.3 mm-40 -66.8 -39.19 87.67 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.487 0.184 . . . . 50.0 111.159 -178.626 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -67.46 -39.54 85.31 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.417 -0.586 . . . . 25.0 109.417 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 69.0 tp60 -67.63 -43.08 81.21 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 112.751 0.648 . . . . 25.0 112.751 178.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 57.5 m80 -67.11 -29.33 69.05 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 120.51 -0.476 . . . . 50.0 110.759 179.631 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 49.0 t80 -62.97 -31.45 72.57 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 112.718 0.636 . . . . 25.0 112.718 174.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 79.4 mm-40 -66.1 -36.27 82.73 Favored 'General case' 0 N--CA 1.468 0.44 0 O-C-N 121.551 -0.718 . . . . 25.0 110.558 -179.692 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 37.4 tt0 -60.92 -39.37 89.15 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.999 0.428 . . . . 50.0 110.167 176.085 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 35.7 t80 -64.77 -41.46 95.86 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.008 0.432 . . . . 50.0 110.057 178.088 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.344 0 C-N-CA 120.822 -0.351 . . . . 50.0 111.363 177.62 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 60.6 tttm . . . . . 0 N--CA 1.474 0.772 0 CA-C-O 121.071 0.463 . . . . 25.0 111.943 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.8 tm0? -60.29 -35.05 74.68 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 112.924 0.713 . . . . 25.0 112.924 -177.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -65.61 -40.72 92.95 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.422 0.63 . . . . 50.0 110.898 -178.685 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 8.8 mt -68.68 -40.38 81.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 108.491 -0.929 . . . . 50.0 108.491 -179.014 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 83.9 mtp -63.69 -37.52 87.66 Favored 'General case' 0 C--O 1.22 -0.458 0 CA-C-N 116.315 -0.402 . . . . 50.0 110.948 178.496 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.01 -37.07 83.47 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.703 0.287 . . . . 25.0 110.477 179.411 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.75 -44.56 89.7 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 110.095 -0.335 . . . . 25.0 110.095 177.684 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 90.5 mt -64.34 -38.67 91.86 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-O 120.658 0.266 . . . . 50.0 110.592 178.639 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -64.09 -39.34 93.85 Favored 'General case' 0 C--O 1.22 -0.493 0 N-CA-C 109.421 -0.585 . . . . 50.0 109.421 -179.518 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 33.4 t -63.3 -41.72 98.98 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.141 0.496 . . . . 25.0 110.759 179.444 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 91.3 mm-40 -69.67 -37.68 76.77 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.952 0.723 . . . . 50.0 112.952 -179.499 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 74.4 p -105.94 -1.19 24.36 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 116.415 2.006 . . . . 25.0 116.415 -169.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -49.32 -68.1 0.21 Allowed 'General case' 0 CA--C 1.543 0.688 0 N-CA-C 114.086 1.143 . . . . 25.0 114.086 -176.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 8.4 p -69.56 -27.99 36.02 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.452 0 O-C-N 121.951 -0.468 . . . . 50.0 110.797 -177.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 48.7 tt0 -63.5 -48.0 79.38 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.477 0.656 . . . . 50.0 110.224 -179.37 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 14.6 m-30 -76.14 -23.77 54.83 Favored 'General case' 0 C--O 1.218 -0.571 0 CA-C-N 115.978 -0.555 . . . . 50.0 110.545 -179.428 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 43.3 tt0 -61.77 -38.4 87.91 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 122.174 -0.329 . . . . 50.0 111.103 177.273 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -64.32 -42.72 96.18 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 121.072 0.463 . . . . 50.0 109.987 179.283 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 75.1 t80 -66.86 -40.61 87.93 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.201 0.524 . . . . 50.0 111.047 178.041 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.6 -38.51 91.41 Favored 'General case' 0 C--N 1.322 -0.601 0 O-C-N 121.997 -0.439 . . . . 25.0 110.625 -179.087 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.3 -25.92 64.47 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.721 -0.218 . . . . 25.0 110.638 178.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 42.9 tt0 -75.4 -23.22 57.01 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.964 0.412 . . . . 50.0 110.643 179.11 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 10.7 mm-40 -96.8 -46.95 6.05 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 116.096 -0.502 . . . . 50.0 112.32 -178.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -121.73 70.23 26.62 Favored Pre-proline 0 C--O 1.24 0.555 0 N-CA-C 109.736 -0.468 . . . . 50.0 109.736 -179.434 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_endo -66.9 139.44 51.7 Favored 'Trans proline' 0 C--O 1.221 -0.34 0 C-N-CA 116.363 -1.958 . . . . 50.0 113.133 -175.448 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 80.39 -24.54 3.57 Favored Glycine 0 CA--C 1.522 0.486 0 N-CA-C 114.989 0.756 . . . . 25.0 114.989 -178.676 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 21.4 m120 -90.24 84.62 6.09 Favored 'General case' 0 CA--C 1.512 -0.488 0 CA-C-N 118.02 0.91 . . . . 50.0 109.871 -176.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 79.7 t80 -55.17 -45.6 75.75 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.772 -0.194 . . . . 50.0 111.466 -179.156 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -58.58 -45.7 88.48 Favored 'General case' 0 C--N 1.323 -0.576 0 O-C-N 121.995 -0.441 . . . . 50.0 111.857 -179.445 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 97.0 mm-40 -72.56 -34.12 67.28 Favored 'General case' 0 CA--C 1.504 -0.813 0 O-C-N 121.814 -0.554 . . . . 50.0 111.165 -176.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 53.9 mt-30 -57.28 -37.51 72.5 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 108.698 -0.852 . . . . 50.0 108.698 175.317 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -75.64 -38.01 59.21 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.7 -0.4 . . . . 50.0 111.372 -177.68 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 65.1 mt -61.85 -40.02 85.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 N-CA-C 108.981 -0.748 . . . . 50.0 108.981 176.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 26.9 tp -65.52 -51.22 61.51 Favored 'General case' 0 C--O 1.219 -0.541 0 O-C-N 122.185 -0.322 . . . . 50.0 110.914 178.654 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 61.7 mt -56.88 -39.52 65.52 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 CA-C-O 120.568 0.223 . . . . 50.0 110.613 178.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 79.4 ttt180 -57.0 -41.0 77.68 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 122.006 -0.434 . . . . 50.0 111.241 177.603 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -72.9 -40.56 65.44 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.928 -0.123 . . . . 25.0 111.265 178.533 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 87.6 mt -61.04 -41.0 95.75 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-O 121.088 0.47 . . . . 50.0 110.286 -179.039 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -68.72 -34.39 75.54 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 111.928 0.344 . . . . 50.0 111.928 -178.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -71.1 -41.92 69.97 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.535 -0.542 . . . . 25.0 109.535 176.127 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 16.2 tm0? -60.66 -42.52 97.19 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.769 -0.456 . . . . 25.0 109.769 178.129 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 23.2 t-160 -61.57 -40.16 93.76 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.666 -0.494 . . . . 50.0 109.666 177.45 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 73.3 t80 -64.26 -40.45 96.02 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 121.939 -0.475 . . . . 25.0 112.176 177.211 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 91.4 mm-40 -63.21 -41.34 99.14 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.562 -0.533 . . . . 25.0 109.562 178.537 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 17.6 tm0? -63.52 -42.29 98.47 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.7 -0.481 . . . . 50.0 109.7 177.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 38.3 t80 -60.42 -40.29 90.5 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.041 0.448 . . . . 50.0 111.304 178.003 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.322 -0.588 0 O-C-N 121.932 -0.48 . . . . 50.0 111.618 179.425 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 59.4 mtpt . . . . . 0 N--CA 1.469 0.505 0 N-CA-C 114.139 1.163 . . . . 25.0 114.139 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 20.0 pt20 -63.97 -25.06 67.97 Favored 'General case' 0 C--O 1.216 -0.683 0 N-CA-C 113.83 1.048 . . . . 25.0 113.83 -178.505 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 99.4 mt-30 -66.02 -42.62 89.39 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 121.84 0.829 . . . . 50.0 109.203 178.36 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 42.3 mt -65.63 -40.66 88.63 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.814 0 CA-C-N 114.999 -1.0 . . . . 50.0 109.673 -177.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 69.7 mtp -65.22 -39.42 92.73 Favored 'General case' 0 C--O 1.223 -0.321 0 CA-C-N 115.962 -0.563 . . . . 50.0 110.278 178.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.0 -41.35 97.95 Favored 'General case' 0 CA--C 1.535 0.393 0 O-C-N 122.099 -0.376 . . . . 25.0 110.754 179.613 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.61 -48.04 76.39 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.124 0.488 . . . . 25.0 111.142 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 82.9 mt -64.89 -33.45 76.04 Favored 'General case' 0 C--O 1.221 -0.44 0 CA-C-N 115.698 -0.683 . . . . 50.0 110.831 -178.017 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 43.3 m-20 -65.97 -37.05 85.0 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.561 -0.456 . . . . 50.0 110.767 -178.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 54.6 m -66.02 -36.17 82.53 Favored 'General case' 0 C--O 1.222 -0.346 0 O-C-N 122.055 -0.403 . . . . 25.0 111.393 177.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 80.2 mt-30 -72.39 -21.16 61.32 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 112.45 0.537 . . . . 50.0 112.45 -178.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 57.5 p -114.61 0.08 13.82 Favored 'General case' 0 C--N 1.316 -0.873 0 N-CA-C 112.692 0.627 . . . . 25.0 112.692 -172.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -50.16 -66.1 0.45 Allowed 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 113.569 0.952 . . . . 25.0 113.569 -176.356 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.9 p -77.89 -27.47 15.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-O 121.481 0.658 . . . . 50.0 110.654 -179.202 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -61.97 -46.58 88.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 121.699 -0.626 . . . . 50.0 111.353 -176.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 17.4 m-30 -81.58 -19.84 41.11 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.497 -0.557 . . . . 50.0 109.497 -178.655 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 60.0 tt0 -64.79 -41.38 95.87 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 120.417 -0.513 . . . . 50.0 111.204 178.477 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -61.95 -40.45 95.57 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.802 -0.359 . . . . 50.0 110.131 178.716 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 71.7 t80 -67.53 -41.31 84.54 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.083 0.468 . . . . 50.0 111.354 176.543 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.02 -37.6 83.12 Favored 'General case' 0 N--CA 1.448 -0.569 0 O-C-N 122.178 -0.326 . . . . 25.0 111.154 -179.718 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.57 -24.72 66.39 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 111.967 0.358 . . . . 25.0 111.967 179.627 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.66 -25.05 38.51 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.794 -0.447 . . . . 50.0 109.794 -179.125 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 29.3 mm-40 -91.38 -44.31 9.23 Favored 'General case' 0 C--O 1.217 -0.648 0 N-CA-C 112.055 0.391 . . . . 50.0 112.055 -179.359 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -122.85 69.69 36.92 Favored Pre-proline 0 C--N 1.325 -0.476 0 CA-C-O 121.402 0.62 . . . . 50.0 110.482 -178.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -68.99 138.08 39.38 Favored 'Trans proline' 0 C--O 1.218 -0.504 0 C-N-CA 116.692 -1.739 . . . . 50.0 112.983 -176.038 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 84.55 -13.39 52.23 Favored Glycine 0 C--O 1.22 -0.759 0 N-CA-C 115.101 0.801 . . . . 25.0 115.101 -179.56 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -107.53 87.42 2.5 Favored 'General case' 0 CA--C 1.503 -0.846 0 O-C-N 122.084 -0.656 . . . . 50.0 111.001 -176.307 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 28.7 t80 -56.14 -43.82 78.63 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.278 -0.874 . . . . 50.0 111.102 -179.583 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -60.24 -47.37 86.29 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.5 -0.318 . . . . 50.0 111.809 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -69.51 -34.45 74.3 Favored 'General case' 0 CA--C 1.505 -0.76 0 O-C-N 121.533 -0.729 . . . . 50.0 110.798 -177.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 68.7 mt-30 -60.36 -37.32 80.34 Favored 'General case' 0 C--N 1.315 -0.923 0 N-CA-C 109.916 -0.401 . . . . 50.0 109.916 177.039 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 93.2 mm-40 -71.18 -40.12 71.42 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-O 121.643 0.735 . . . . 50.0 109.657 -178.461 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 86.1 mt -61.87 -42.72 95.71 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 N-CA-C 109.438 -0.578 . . . . 50.0 109.438 178.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 25.4 tp -64.02 -46.84 82.67 Favored 'General case' 0 C--O 1.221 -0.417 0 CA-C-O 120.608 0.242 . . . . 50.0 111.418 -178.426 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 45.7 mt -55.98 -40.19 61.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 N-CA-C 110.139 -0.319 . . . . 50.0 110.139 177.516 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 7.0 tmm_? -62.45 -41.67 98.91 Favored 'General case' 0 N--CA 1.48 1.043 0 O-C-N 121.852 -0.53 . . . . 50.0 111.46 177.165 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -62.37 -43.28 99.2 Favored 'General case' 0 C--O 1.238 0.46 0 CA-C-O 121.444 0.64 . . . . 25.0 110.973 177.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 88.8 mt -67.25 -38.88 85.9 Favored 'General case' 0 C--O 1.244 0.813 0 CA-C-N 115.643 -0.708 . . . . 50.0 110.21 -177.546 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -69.74 -34.75 74.27 Favored 'General case' 0 C--N 1.322 -0.593 0 O-C-N 122.344 -0.222 . . . . 50.0 111.165 -179.703 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -67.01 -41.0 87.43 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-O 121.492 0.663 . . . . 25.0 110.512 176.472 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 47.7 tp60 -66.88 -41.07 87.83 Favored 'General case' 0 C--N 1.318 -0.762 0 O-C-N 121.763 -0.586 . . . . 25.0 110.88 178.045 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 41.1 t-80 -64.02 -34.43 77.99 Favored 'General case' 0 N--CA 1.451 -0.42 0 O-C-N 122.14 -0.35 . . . . 50.0 111.489 177.342 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 72.3 t80 -62.17 -37.54 85.64 Favored 'General case' 0 C--O 1.241 0.625 0 C-N-CA 120.261 -0.576 . . . . 25.0 111.093 177.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 -65.34 -42.59 92.73 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.902 -0.407 . . . . 25.0 109.902 178.744 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -62.93 -43.63 98.28 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.284 -0.636 . . . . 50.0 109.284 178.301 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 39.7 t80 -60.36 -41.7 94.24 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.552 -0.295 . . . . 50.0 110.852 179.636 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 C-N-CA 120.778 -0.369 . . . . 50.0 111.447 178.543 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 55.3 mtpt . . . . . 0 N--CA 1.473 0.698 0 N-CA-C 112.245 0.461 . . . . 25.0 112.245 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 55.0 tp60 -67.2 -30.16 70.02 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 112.62 0.6 . . . . 25.0 112.62 179.434 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -63.94 -36.76 85.01 Favored 'General case' 0 CA--C 1.511 -0.539 0 CA-C-O 121.552 0.692 . . . . 50.0 109.437 178.636 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 36.4 mt -70.48 -43.81 77.65 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.92 0 CA-C-N 115.002 -0.999 . . . . 50.0 108.922 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 94.3 mmm -61.24 -35.52 77.46 Favored 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 112.343 0.497 . . . . 50.0 112.343 177.228 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.72 -41.57 78.84 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.583 -0.525 . . . . 25.0 109.583 177.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.78 -44.14 86.64 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-O 120.978 0.418 . . . . 25.0 110.064 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 94.7 mt -64.72 -30.43 71.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.454 -0.339 . . . . 50.0 111.026 179.501 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -60.05 -43.76 95.15 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 120.729 0.3 . . . . 50.0 110.431 179.118 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 24.8 m -68.7 -36.91 79.07 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 116.428 -0.351 . . . . 25.0 111.427 178.7 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -72.16 -23.99 61.37 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 113.37 0.878 . . . . 50.0 113.37 -177.484 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 72.3 p -113.71 -3.07 13.58 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 113.849 1.055 . . . . 25.0 113.849 -173.162 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -48.35 -71.2 0.07 Allowed 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 114.962 1.467 . . . . 25.0 114.962 -172.546 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.9 p -70.57 -28.59 35.15 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 CA-C-O 121.223 0.535 . . . . 50.0 110.759 -176.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -60.47 -48.32 82.29 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.409 0.623 . . . . 50.0 110.761 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 15.8 m-30 -80.31 -24.02 40.25 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.363 -0.38 . . . . 50.0 111.041 -179.255 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 41.4 tt0 -61.24 -39.74 91.44 Favored 'General case' 0 N--CA 1.47 0.57 0 O-C-N 121.76 -0.588 . . . . 50.0 111.321 176.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -60.76 -46.13 91.63 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 120.994 0.426 . . . . 50.0 110.281 177.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 85.2 t80 -66.35 -36.45 82.93 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 120.975 0.417 . . . . 50.0 111.818 178.417 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.19 -38.16 90.06 Favored 'General case' 0 C--N 1.32 -0.682 0 O-C-N 122.152 -0.343 . . . . 25.0 110.181 -178.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.39 -29.08 65.63 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 110.118 -0.327 . . . . 25.0 110.118 177.248 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 32.7 tt0 -70.58 -16.15 62.83 Favored 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 112.393 0.516 . . . . 50.0 112.393 176.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 67.7 mm-40 -106.34 -50.37 3.16 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 112.402 0.519 . . . . 50.0 112.402 178.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 16.6 m-85 -121.66 69.98 25.52 Favored Pre-proline 0 C--O 1.241 0.619 0 C-N-CA 122.364 0.266 . . . . 50.0 110.638 -176.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -68.25 141.75 53.02 Favored 'Trans proline' 0 C--N 1.351 0.691 0 C-N-CA 115.702 -2.399 . . . . 50.0 112.66 -177.497 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 85.84 -22.12 12.74 Favored Glycine 0 C--N 1.332 0.323 0 C-N-CA 121.259 -0.496 . . . . 25.0 114.067 -179.014 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 10.6 m120 -100.54 86.04 3.06 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 118.713 1.256 . . . . 50.0 111.675 -175.336 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 79.2 t80 -54.83 -47.13 74.49 Favored 'General case' 0 N--CA 1.469 0.521 0 N-CA-C 112.009 0.374 . . . . 50.0 112.009 -178.479 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -59.47 -46.08 89.82 Favored 'General case' 0 CA--C 1.543 0.708 0 O-C-N 122.156 -0.34 . . . . 50.0 111.754 -179.197 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -69.94 -33.29 71.94 Favored 'General case' 0 CA--C 1.512 -0.493 0 O-C-N 121.797 -0.564 . . . . 50.0 110.846 -177.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 69.3 mt-30 -60.25 -37.47 80.49 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.208 -0.664 . . . . 50.0 109.208 175.02 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 95.6 mm-40 -71.83 -39.24 69.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 122.108 -0.37 . . . . 50.0 110.369 -178.644 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 80.7 mt -63.27 -42.57 96.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 N-CA-C 109.096 -0.705 . . . . 50.0 109.096 178.546 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 36.4 tp -64.05 -48.16 77.34 Favored 'General case' 0 C--O 1.215 -0.76 0 CA-C-N 115.736 -0.665 . . . . 50.0 110.901 179.458 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 57.4 mt -56.68 -37.4 52.59 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 O-C-N 122.202 -0.311 . . . . 50.0 110.845 177.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.07 -47.35 86.25 Favored 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 108.285 -1.006 . . . . 50.0 108.285 177.532 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 48.6 tt0 -63.3 -40.52 97.57 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 116.486 -0.325 . . . . 25.0 111.013 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 80.0 mt -63.62 -37.06 85.88 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 122.113 -0.367 . . . . 50.0 110.706 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -69.78 -36.21 75.54 Favored 'General case' 0 C--N 1.319 -0.729 0 O-C-N 122.411 -0.181 . . . . 50.0 110.881 178.228 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 63.8 mt-10 -68.9 -35.63 77.08 Favored 'General case' 0 C--N 1.321 -0.66 0 O-C-N 122.102 -0.373 . . . . 25.0 110.107 177.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 18.0 tm0? -68.45 -44.57 74.6 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.66 -0.496 . . . . 25.0 109.66 174.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 59.7 t60 -59.43 -31.33 69.19 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.194 -0.457 . . . . 50.0 111.794 -179.54 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 32.8 t80 -57.85 -35.07 70.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.473 -0.331 . . . . 25.0 111.614 177.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 83.3 mt-30 -65.66 -44.15 87.2 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.244 -0.65 . . . . 25.0 109.244 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 28.6 tt0 -65.92 -41.55 91.24 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.996 0.427 . . . . 50.0 110.495 179.04 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 26.9 t80 -62.53 -40.37 96.58 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.45 -0.341 . . . . 50.0 111.006 178.454 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.457 0 CA-C-O 120.905 0.384 . . . . 50.0 111.872 178.224 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 19.5 ptpt . . . . . 0 N--CA 1.475 0.817 0 N-CA-C 114.287 1.217 . . . . 25.0 114.287 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 82.1 mt-30 -65.68 -27.39 68.32 Favored 'General case' 0 C--O 1.216 -0.71 0 N-CA-C 113.237 0.829 . . . . 25.0 113.237 -178.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 91.8 mt-30 -70.37 -38.59 74.77 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 120.832 -0.347 . . . . 50.0 110.222 177.453 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 42.4 mt -68.02 -42.37 85.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 N-CA-C 107.725 -1.213 . . . . 50.0 107.725 178.612 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 81.8 mmm -60.13 -42.1 94.1 Favored 'General case' 0 C--O 1.209 -1.078 0 CA-C-N 116.519 -0.309 . . . . 50.0 110.258 177.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.28 -39.64 91.17 Favored 'General case' 0 C--O 1.243 0.743 0 CA-C-N 118.909 0.777 . . . . 25.0 111.208 179.411 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.7 -44.91 80.41 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.067 0.461 . . . . 25.0 110.409 178.166 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 86.4 mt -64.48 -40.06 94.98 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 121.335 0.588 . . . . 50.0 110.041 179.324 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 62.6 m-20 -60.79 -38.55 85.7 Favored 'General case' 0 C--O 1.216 -0.705 0 O-C-N 121.68 -0.638 . . . . 50.0 110.413 -179.36 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 57.0 m -69.76 -41.23 75.47 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.571 -0.451 . . . . 25.0 111.699 -177.078 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -77.75 -20.46 53.4 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 113.106 0.78 . . . . 50.0 113.106 -176.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 70.8 p -105.05 2.29 29.35 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.579 0.228 . . . . 25.0 111.586 -179.688 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -47.85 -67.19 0.3 Allowed 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 114.821 1.415 . . . . 25.0 114.821 -172.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 8.4 p -71.56 -26.93 27.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 C-N-CA 120.367 -0.533 . . . . 50.0 111.037 -174.259 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 64.1 tt0 -62.25 -48.77 78.47 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.792 -0.447 . . . . 50.0 109.792 177.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 18.3 m-30 -75.65 -31.55 59.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.7 -0.227 . . . . 50.0 110.561 -179.708 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 17.0 tm0? -62.62 -48.83 77.68 Favored 'General case' 0 C--N 1.328 -0.36 0 O-C-N 122.151 -0.343 . . . . 50.0 111.611 -179.476 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -64.25 -39.64 94.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 122.101 -0.374 . . . . 50.0 110.672 -178.078 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 91.5 t80 -64.94 -43.65 92.06 Favored 'General case' 0 C--O 1.223 -0.304 0 CA-C-N 116.286 -0.416 . . . . 50.0 111.204 177.52 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.08 -38.21 90.25 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 120.117 -0.633 . . . . 25.0 110.643 -179.566 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.95 -26.68 67.69 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 110.213 -0.291 . . . . 25.0 110.213 179.081 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -78.28 -27.55 47.43 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.051 0.453 . . . . 50.0 111.945 178.343 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 96.4 mm-40 -90.17 -45.37 9.15 Favored 'General case' 0 C--O 1.214 -0.788 0 CA-C-N 115.907 -0.588 . . . . 50.0 110.527 -175.605 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 26.3 m-85 -121.7 69.26 24.57 Favored Pre-proline 0 N--CA 1.473 0.676 0 CA-C-N 116.12 -0.491 . . . . 50.0 110.021 179.621 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -68.15 138.86 44.69 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 117.236 -1.376 . . . . 50.0 112.725 -176.292 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 82.17 -15.68 26.76 Favored Glycine 0 CA--C 1.522 0.513 0 N-CA-C 115.292 0.877 . . . . 25.0 115.292 -178.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -105.46 86.62 2.44 Favored 'General case' 0 N--CA 1.475 0.824 0 CA-C-N 117.881 0.84 . . . . 50.0 112.545 -175.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 70.4 t80 -53.64 -46.67 70.62 Favored 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 113.111 0.782 . . . . 50.0 113.111 -178.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -59.52 -45.26 92.26 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 112.756 0.65 . . . . 50.0 112.756 -179.322 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 97.8 mm-40 -70.01 -35.96 74.76 Favored 'General case' 0 C--N 1.319 -0.748 0 O-C-N 121.967 -0.458 . . . . 50.0 111.106 -178.379 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 -58.77 -37.8 77.09 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.364 -0.606 . . . . 50.0 109.364 174.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 57.2 mm-40 -74.01 -35.92 64.44 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 121.182 -0.207 . . . . 50.0 110.799 -176.05 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 77.4 mt -63.0 -43.7 99.24 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 N-CA-C 109.735 -0.469 . . . . 50.0 109.735 176.028 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 24.7 tp -63.73 -49.55 72.63 Favored 'General case' 0 C--O 1.214 -0.77 0 CA-C-N 116.359 -0.382 . . . . 50.0 110.179 179.115 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 64.4 mt -56.63 -39.68 64.46 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 O-C-N 122.344 -0.222 . . . . 50.0 110.833 179.506 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 6.9 tmm_? -60.13 -43.26 95.82 Favored 'General case' 0 N--CA 1.466 0.371 0 O-C-N 121.551 -0.718 . . . . 50.0 110.231 176.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -66.44 -39.27 88.79 Favored 'General case' 0 N--CA 1.467 0.394 0 O-C-N 121.967 -0.458 . . . . 25.0 111.929 178.502 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 86.9 mt -62.47 -39.74 94.38 Favored 'General case' 0 C--O 1.214 -0.786 0 CA-C-N 117.615 0.189 . . . . 50.0 110.592 177.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -66.88 -36.13 81.61 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 122.096 0.158 . . . . 50.0 110.818 179.005 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.1 tm-20 -68.14 -44.92 74.96 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.701 -0.481 . . . . 25.0 109.701 178.123 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -63.87 -40.33 96.31 Favored 'General case' 0 C--O 1.242 0.67 0 CA-C-O 121.005 0.431 . . . . 25.0 110.668 178.353 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 81.8 t60 -64.79 -38.04 89.63 Favored 'General case' 0 CA--C 1.516 -0.354 0 CA-C-N 116.025 -0.534 . . . . 50.0 110.216 178.617 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 45.8 t80 -60.84 -40.7 93.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 121.974 -0.454 . . . . 25.0 110.757 178.544 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -63.57 -46.22 86.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.996 0.427 . . . . 25.0 109.979 178.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -62.85 -40.37 97.26 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-O 120.682 0.277 . . . . 50.0 110.893 179.216 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 61.3 t80 -63.96 -44.32 93.11 Favored 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 122.823 0.449 . . . . 50.0 111.297 178.051 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.215 -0.736 0 C-N-CA 121.101 -0.24 . . . . 50.0 110.873 179.186 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 32.9 mmtp . . . . . 0 CA--C 1.541 0.606 0 N-CA-C 112.051 0.389 . . . . 25.0 112.051 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -70.73 -26.67 63.49 Favored 'General case' 0 C--N 1.308 -1.223 0 N-CA-C 113.45 0.907 . . . . 25.0 113.45 -176.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -65.47 -36.76 84.83 Favored 'General case' 0 C--N 1.314 -0.961 0 N-CA-C 108.606 -0.887 . . . . 50.0 108.606 177.66 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 51.2 mt -68.86 -39.74 80.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 108.777 -0.823 . . . . 50.0 108.777 -177.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 74.1 mtp -61.64 -42.43 98.89 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 116.262 -0.426 . . . . 50.0 110.071 178.357 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.12 -40.07 92.4 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-O 120.895 0.378 . . . . 25.0 111.761 -178.613 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.89 -43.45 92.86 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.483 -0.326 . . . . 25.0 111.186 -178.656 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 94.4 mt -62.85 -45.14 93.97 Favored 'General case' 0 N--CA 1.48 1.069 0 O-C-N 123.422 0.451 . . . . 50.0 110.133 176.112 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 82.9 m-20 -64.44 -31.56 72.82 Favored 'General case' 0 C--O 1.212 -0.893 0 CA-C-N 115.984 -0.553 . . . . 50.0 112.179 -175.156 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 42.5 m -65.7 -36.48 83.75 Favored 'General case' 0 C--O 1.209 -1.043 0 O-C-N 122.212 -0.305 . . . . 25.0 111.247 177.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 96.6 mm-40 -73.39 -43.0 61.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.336 0.589 . . . . 50.0 110.403 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 82.2 p -93.34 11.62 27.62 Favored 'General case' 0 C--O 1.251 1.172 0 N-CA-C 113.525 0.935 . . . . 25.0 113.525 -172.29 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.99 -66.63 0.36 Allowed 'General case' 0 CA--C 1.545 0.751 0 N-CA-C 114.505 1.298 . . . . 25.0 114.505 -175.589 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.5 p -73.04 -26.14 22.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-O 121.308 0.575 . . . . 50.0 110.246 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -58.98 -50.62 73.41 Favored 'General case' 0 C--O 1.254 1.323 0 N-CA-C 109.249 -0.648 . . . . 50.0 109.249 -179.121 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 13.9 m-30 -73.48 -32.44 64.3 Favored 'General case' 0 C--N 1.315 -0.919 0 C-N-CA 120.583 -0.447 . . . . 50.0 110.293 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 66.3 tt0 -59.73 -43.95 93.97 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 113.327 0.862 . . . . 50.0 113.327 -178.346 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -66.06 -41.69 90.44 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-N 116.423 -0.353 . . . . 50.0 110.447 179.636 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 88.4 t80 -64.9 -43.05 94.13 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-O 121.228 0.537 . . . . 50.0 111.764 177.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.56 -37.64 86.95 Favored 'General case' 0 C--N 1.327 -0.384 0 O-C-N 121.943 -0.473 . . . . 25.0 110.714 179.172 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.87 -23.66 63.3 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-O 121.839 0.828 . . . . 25.0 110.244 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.24 -14.17 58.63 Favored 'General case' 0 C--O 1.21 -1.01 0 O-C-N 121.571 -0.706 . . . . 50.0 111.607 178.208 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 96.6 mm-40 -103.96 -47.11 4.28 Favored 'General case' 0 C--O 1.215 -0.723 0 CA-C-N 115.906 -0.588 . . . . 50.0 110.778 -179.668 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -120.34 70.21 16.07 Favored Pre-proline 0 C--O 1.245 0.862 0 CA-C-O 120.56 0.219 . . . . 50.0 111.356 179.029 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_endo -67.24 145.84 73.73 Favored 'Trans proline' 0 N--CA 1.454 -0.841 0 C-N-CA 116.323 -1.985 . . . . 50.0 113.201 -176.268 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 82.34 -26.83 3.81 Favored Glycine 0 N--CA 1.469 0.864 0 CA-C-N 115.677 -0.692 . . . . 25.0 114.508 179.458 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -99.83 87.55 3.55 Favored 'General case' 0 C--N 1.311 -1.071 0 CA-C-O 121.829 0.823 . . . . 50.0 111.929 -174.342 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 27.3 t80 -53.72 -43.0 68.68 Favored 'General case' 0 C--N 1.313 -1.018 0 CA-C-N 114.91 -1.041 . . . . 50.0 113.316 177.422 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -62.43 -42.84 99.75 Favored 'General case' 0 C--O 1.217 -0.638 0 O-C-N 121.086 -1.009 . . . . 50.0 113.233 179.046 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 96.0 mm-40 -68.24 -38.34 81.71 Favored 'General case' 0 CA--C 1.509 -0.604 0 CA-C-O 122.728 1.251 . . . . 50.0 110.905 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -57.68 -38.91 75.95 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 114.481 -1.236 . . . . 50.0 109.767 177.569 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 94.0 mm-40 -70.67 -37.83 73.71 Favored 'General case' 0 N--CA 1.477 0.905 0 CA-C-O 121.455 0.645 . . . . 50.0 112.073 -178.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 68.7 mt -64.42 -39.81 86.86 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.876 0 N-CA-C 109.024 -0.732 . . . . 50.0 109.024 179.507 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 26.1 tp -65.71 -45.59 82.2 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.246 0.546 . . . . 50.0 112.041 179.568 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 62.3 mt -59.57 -41.99 86.7 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.896 0 CA-C-N 116.155 -0.475 . . . . 50.0 110.769 178.437 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 65.4 ttt-85 -55.44 -38.75 69.42 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-O 120.735 0.302 . . . . 50.0 110.515 177.621 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 36.9 tt0 -72.26 -42.58 65.43 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.244 0.545 . . . . 25.0 110.228 179.661 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 88.8 mt -64.54 -37.28 87.0 Favored 'General case' 0 N--CA 1.477 0.887 0 O-C-N 121.48 -0.762 . . . . 50.0 111.166 -177.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -63.84 -40.39 96.49 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-O 121.007 0.432 . . . . 50.0 110.625 179.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -66.22 -39.58 89.68 Favored 'General case' 0 C--O 1.224 -0.261 0 C-N-CA 120.074 -0.65 . . . . 25.0 110.858 177.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -61.54 -40.77 95.88 Favored 'General case' 0 N--CA 1.481 1.092 0 N-CA-C 109.863 -0.421 . . . . 25.0 109.863 179.039 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -66.73 -38.32 86.43 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 116.234 -0.439 . . . . 50.0 109.876 178.792 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 54.3 t80 -66.61 -39.57 88.43 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.372 0.605 . . . . 25.0 110.728 179.357 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -62.85 -43.36 99.0 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-N 116.254 -0.43 . . . . 25.0 109.843 179.566 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 26.4 tt0 -60.63 -43.02 98.02 Favored 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 108.523 -0.917 . . . . 50.0 108.523 177.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 37.1 t80 -62.21 -46.73 87.59 Favored 'General case' 0 C--O 1.213 -0.849 0 CA-C-O 121.145 0.498 . . . . 50.0 110.242 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.538 0.512 0 O-C-N 121.873 -0.517 . . . . 50.0 112.014 -178.598 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 67.7 mttm . . . . . 0 N--CA 1.472 0.644 0 N-CA-C 113.631 0.974 . . . . 25.0 113.631 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 57.1 mt-30 -72.71 -23.46 60.86 Favored 'General case' 0 C--O 1.214 -0.786 0 O-C-N 121.745 -0.597 . . . . 25.0 112.519 -176.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -66.43 -36.83 83.79 Favored 'General case' 0 C--O 1.217 -0.656 0 CA-C-N 118.825 0.739 . . . . 50.0 109.31 176.243 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 37.4 mt -66.24 -43.04 91.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 N-CA-C 108.256 -1.016 . . . . 50.0 108.256 179.4 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 62.5 mtp -67.76 -29.16 68.3 Favored 'General case' 0 C--O 1.216 -0.662 0 O-C-N 121.402 -0.812 . . . . 50.0 111.835 179.598 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.43 -38.86 78.05 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.35 -0.611 . . . . 25.0 109.35 177.253 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.57 -43.3 90.2 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.017 -0.538 . . . . 25.0 110.611 178.147 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 92.0 mt -64.77 -33.45 76.01 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-O 121.252 0.549 . . . . 50.0 110.53 177.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -62.76 -40.55 97.61 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.364 -0.38 . . . . 50.0 110.392 179.291 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 38.9 t -66.27 -41.38 89.97 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 110.054 -0.35 . . . . 25.0 110.054 179.515 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -67.51 -27.55 67.09 Favored 'General case' 0 N--CA 1.468 0.432 0 N-CA-C 113.968 1.099 . . . . 50.0 113.968 -178.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 72.1 p -116.47 8.21 13.98 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 113.835 1.05 . . . . 25.0 113.835 -172.58 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -47.83 -72.7 0.05 OUTLIER 'General case' 0 CA--C 1.546 0.8 0 N-CA-C 113.936 1.087 . . . . 25.0 113.936 -173.352 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 8.3 p -74.37 -25.08 19.25 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.356 0 O-C-N 121.834 -0.541 . . . . 50.0 110.458 -178.696 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 43.6 tt0 -59.37 -45.3 91.82 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.278 0.561 . . . . 50.0 110.987 -178.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 14.4 m-30 -86.62 -23.32 25.76 Favored 'General case' 0 C--O 1.214 -0.772 0 CA-C-N 116.055 -0.52 . . . . 50.0 111.114 178.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 41.8 tp60 -61.32 -42.79 99.26 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 118.461 0.573 . . . . 50.0 110.218 176.626 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 25.7 mm100 -63.0 -41.68 99.65 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 120.644 -0.422 . . . . 50.0 110.806 178.474 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 55.9 t80 -64.71 -41.2 96.17 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-O 121.634 0.73 . . . . 50.0 110.878 177.48 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.58 -35.59 81.29 Favored 'General case' 0 C--N 1.317 -0.817 0 O-C-N 121.556 -0.715 . . . . 25.0 111.355 179.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.85 -24.18 65.23 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-O 121.196 0.522 . . . . 25.0 110.77 177.459 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 40.4 tt0 -72.54 -16.26 61.77 Favored 'General case' 0 C--O 1.214 -0.767 0 CA-C-O 121.535 0.683 . . . . 50.0 112.115 178.368 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 56.1 mm-40 -108.69 -43.58 4.23 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.551 0.574 . . . . 50.0 112.551 -179.318 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 30.4 m-85 -122.85 68.16 33.11 Favored Pre-proline 0 C--O 1.251 1.149 0 CA-C-N 116.417 -0.356 . . . . 50.0 110.903 -179.426 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -66.64 136.24 41.71 Favored 'Trans proline' 0 C--O 1.217 -0.56 0 C-N-CA 116.386 -1.943 . . . . 50.0 112.804 -176.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 82.29 -15.32 29.37 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 115.128 0.811 . . . . 25.0 115.128 -179.024 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 10.1 m120 -102.97 85.66 2.57 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 118.098 0.949 . . . . 50.0 111.071 -177.226 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 41.1 t80 -56.95 -44.06 82.17 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.217 0.451 . . . . 50.0 112.217 -177.669 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -60.89 -45.04 96.17 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 122.043 -0.41 . . . . 50.0 111.363 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 9.8 mm100 -68.0 -37.73 81.79 Favored 'General case' 0 C--O 1.245 0.831 0 O-C-N 121.683 -0.636 . . . . 50.0 109.61 -179.205 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 -58.05 -37.56 74.64 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.916 -0.584 . . . . 50.0 109.869 176.019 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 92.9 mm-40 -72.62 -36.62 68.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 121.65 -0.656 . . . . 50.0 111.554 -178.35 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 71.5 mt -60.9 -42.69 93.66 Favored 'Isoleucine or valine' 0 C--O 1.243 0.754 0 N-CA-C 108.536 -0.913 . . . . 50.0 108.536 176.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 28.2 tp -67.05 -47.6 70.84 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.801 -0.636 . . . . 50.0 112.26 -178.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 58.5 mt -56.88 -40.51 72.16 Favored 'Isoleucine or valine' 0 C--O 1.244 0.772 0 C-N-CA 122.483 0.313 . . . . 50.0 111.634 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 72.0 mtt85 -59.48 -38.65 81.37 Favored 'General case' 0 N--CA 1.483 1.219 0 O-C-N 121.359 -0.838 . . . . 50.0 112.093 177.043 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -65.26 -43.03 92.58 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-O 121.354 0.597 . . . . 25.0 111.162 179.133 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 63.6 mt -63.05 -42.43 99.7 Favored 'General case' 0 N--CA 1.478 0.937 0 CA-C-O 121.479 0.657 . . . . 50.0 110.479 -178.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -67.64 -41.3 84.11 Favored 'General case' 0 N--CA 1.443 -0.785 0 CA-C-N 115.112 -0.949 . . . . 50.0 110.376 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -66.78 -44.57 80.96 Favored 'General case' 0 CA--C 1.541 0.612 0 O-C-N 121.96 -0.463 . . . . 25.0 111.339 -179.166 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 10.9 mm100 -57.07 -39.88 75.83 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.342 0.591 . . . . 25.0 109.7 178.433 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 3.4 t-80 -83.57 -16.04 46.88 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 113.572 0.953 . . . . 50.0 113.572 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 76.3 t80 -72.76 -33.88 66.62 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 108.161 -1.051 . . . . 25.0 108.161 175.557 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 65.7 mt-30 -59.68 -46.4 89.17 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 108.872 -0.788 . . . . 25.0 108.872 176.137 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 23.6 tt0 -63.82 -40.41 96.55 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-O 121.506 0.67 . . . . 50.0 110.441 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 32.5 t80 -61.61 -40.0 93.28 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-O 121.313 0.577 . . . . 50.0 110.733 178.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.508 0 O-C-N 122.004 -0.435 . . . . 50.0 111.406 178.135 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 35.1 ttpt . . . . . 0 CA--C 1.539 0.554 0 N-CA-C 113.87 1.063 . . . . 25.0 113.87 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.3 pp0? -62.28 -28.69 69.89 Favored 'General case' 0 C--O 1.21 -0.993 0 O-C-N 121.786 -0.571 . . . . 25.0 112.488 -177.621 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 91.1 mt-30 -64.72 -40.56 95.54 Favored 'General case' 0 CA--C 1.514 -0.412 0 CA-C-O 121.895 0.855 . . . . 50.0 109.327 179.036 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 31.3 mt -72.41 -42.72 64.69 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.719 0 N-CA-C 108.592 -0.892 . . . . 50.0 108.592 -178.112 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 73.3 mtp -64.13 -35.93 82.38 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.566 -0.454 . . . . 50.0 111.524 -179.657 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.78 -40.84 88.33 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.159 0.505 . . . . 25.0 109.792 177.121 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.7 -46.43 88.16 Favored 'General case' 0 CA--C 1.538 0.514 0 N-CA-C 109.682 -0.488 . . . . 25.0 109.682 177.758 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 91.9 mt -66.65 -30.77 71.12 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.958 -0.297 . . . . 50.0 110.617 -179.747 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -59.63 -45.24 92.56 Favored 'General case' 0 C--O 1.221 -0.421 0 CA-C-O 121.418 0.628 . . . . 50.0 109.805 176.257 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 43.5 t -66.52 -42.95 86.51 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.699 -0.682 . . . . 25.0 111.573 -179.051 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 87.3 mm-40 -65.6 -38.15 88.64 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 112.523 0.564 . . . . 50.0 112.523 -179.191 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 69.7 p -99.36 4.28 46.29 Favored 'General case' 0 N--CA 1.471 0.581 0 N-CA-C 114.201 1.186 . . . . 25.0 114.201 -173.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -47.73 -73.53 0.04 OUTLIER 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 114.713 1.375 . . . . 25.0 114.713 -174.722 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.9 p -70.28 -27.65 32.71 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.694 0 CA-C-O 121.368 0.604 . . . . 50.0 110.746 -178.605 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 45.1 tt0 -60.85 -45.96 92.47 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.519 0.676 . . . . 50.0 111.566 -178.164 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 12.6 m-30 -84.85 -21.2 29.9 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 116.152 -0.476 . . . . 50.0 110.584 -178.743 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -62.57 -47.39 84.05 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 111.96 0.355 . . . . 50.0 111.96 178.672 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -66.62 -36.17 81.94 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.782 -0.451 . . . . 50.0 109.782 -178.058 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 84.0 t80 -66.52 -41.97 88.0 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 120.4 -0.52 . . . . 50.0 111.545 175.488 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.67 -38.13 89.13 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.297 0.57 . . . . 25.0 109.961 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.82 -25.59 66.52 Favored 'General case' 0 C--O 1.213 -0.833 0 CA-C-N 116.065 -0.516 . . . . 25.0 111.841 178.636 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -76.5 -18.06 58.94 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 116.204 -0.453 . . . . 50.0 111.991 178.231 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 95.4 mm-40 -103.29 -46.37 4.62 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.498 0.666 . . . . 50.0 111.739 -178.177 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 21.7 m-30 -119.13 66.69 8.27 Favored Pre-proline 0 CA--C 1.55 0.957 0 CA-C-N 115.511 -0.768 . . . . 50.0 110.809 179.087 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -65.43 140.32 63.01 Favored 'Trans proline' 0 C--N 1.353 0.798 0 C-N-CA 117.168 -1.421 . . . . 50.0 112.83 -177.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 83.82 -17.69 24.98 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 114.463 0.545 . . . . 25.0 114.463 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 11.3 m120 -103.88 80.11 1.72 Allowed 'General case' 0 CA--C 1.503 -0.841 0 CA-C-N 118.244 1.022 . . . . 50.0 110.775 -175.782 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 65.1 t80 -53.66 -44.19 69.46 Favored 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 112.857 0.688 . . . . 50.0 112.857 -178.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -60.41 -45.22 94.37 Favored 'General case' 0 CA--C 1.546 0.812 0 O-C-N 122.062 -0.398 . . . . 50.0 111.597 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 87.7 mm-40 -71.53 -34.22 69.86 Favored 'General case' 0 CA--C 1.5 -0.948 0 C-N-CA 121.028 -0.269 . . . . 50.0 111.076 -178.704 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 66.6 mt-30 -58.5 -36.98 74.64 Favored 'General case' 0 N--CA 1.441 -0.913 0 O-C-N 123.4 0.437 . . . . 50.0 110.166 175.058 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -74.34 -38.65 63.2 Favored 'General case' 0 N--CA 1.476 0.833 0 O-C-N 122.115 -0.366 . . . . 50.0 110.55 -176.726 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 67.1 mt -62.42 -42.24 94.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 N-CA-C 109.138 -0.689 . . . . 50.0 109.138 176.492 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 46.2 tp -63.82 -47.29 81.41 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.942 -0.572 . . . . 50.0 111.159 178.639 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 50.0 mt -57.81 -38.62 66.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 111.746 0.276 . . . . 50.0 111.746 178.127 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -59.13 -42.79 91.44 Favored 'General case' 0 N--CA 1.474 0.757 0 O-C-N 121.709 -0.62 . . . . 50.0 109.729 175.562 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 -64.85 -43.35 93.31 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 120.773 0.32 . . . . 25.0 110.884 179.055 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 79.1 mt -63.41 -38.03 89.55 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.779 0.323 . . . . 50.0 110.361 -178.604 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -68.66 -37.39 79.61 Favored 'General case' 0 C--N 1.329 -0.321 0 O-C-N 122.198 -0.314 . . . . 50.0 111.101 178.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -67.83 -39.82 83.82 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 120.57 -0.452 . . . . 25.0 110.381 178.116 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -65.77 -42.32 90.96 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-O 121.261 0.553 . . . . 25.0 109.526 175.165 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 64.5 t60 -61.64 -30.07 70.47 Favored 'General case' 0 CA--C 1.538 0.489 0 O-C-N 122.077 -0.389 . . . . 50.0 111.908 177.32 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 59.6 t80 -66.64 -34.91 78.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 121.882 -0.511 . . . . 25.0 110.848 177.135 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 82.4 mt-30 -64.24 -40.81 96.8 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 121.387 -0.821 . . . . 25.0 109.933 177.062 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 40.7 tt0 -62.68 -42.24 99.52 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 109.566 -0.531 . . . . 50.0 109.566 176.461 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 14.1 t80 -62.42 -39.13 92.32 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.183 0.516 . . . . 50.0 110.612 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.331 -0.218 0 O-C-N 121.126 -0.984 . . . . 50.0 111.264 179.037 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 96.9 mttt . . . . . 0 N--CA 1.464 0.248 0 N-CA-C 112.167 0.432 . . . . 25.0 112.167 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 30.3 pt20 -70.13 -24.14 63.14 Favored 'General case' 0 C--O 1.216 -0.685 0 N-CA-C 112.45 0.537 . . . . 25.0 112.45 -179.031 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -71.69 -33.33 68.71 Favored 'General case' 0 C--O 1.219 -0.51 0 O-C-N 121.841 -0.537 . . . . 50.0 110.002 178.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 40.8 mt -66.61 -43.0 90.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 107.264 -1.384 . . . . 50.0 107.264 177.047 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 80.9 mmm -63.27 -35.97 82.13 Favored 'General case' 0 C--O 1.211 -0.974 0 CA-C-N 116.068 -0.514 . . . . 50.0 112.059 177.552 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.46 -39.5 92.09 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-O 121.283 0.563 . . . . 25.0 110.682 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.35 -46.77 72.44 Favored 'General case' 0 C--O 1.235 0.312 0 N-CA-C 109.48 -0.563 . . . . 25.0 109.48 177.452 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 51.2 mt -61.16 -40.66 94.68 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.41 -0.814 . . . . 50.0 111.144 -179.462 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -59.26 -45.45 91.17 Favored 'General case' 0 C--O 1.219 -0.52 0 O-C-N 121.804 -0.56 . . . . 50.0 110.754 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 38.0 m -68.35 -45.96 71.43 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 112.06 0.392 . . . . 25.0 112.06 -178.405 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 16.3 pt20 -74.21 -14.15 60.9 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 113.243 0.831 . . . . 50.0 113.243 -173.741 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 81.0 p -113.2 0.52 14.92 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.249 0.463 . . . . 25.0 112.249 178.608 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -51.8 -68.05 0.2 Allowed 'General case' 0 C--O 1.215 -0.744 0 N-CA-C 113.388 0.884 . . . . 25.0 113.388 -174.095 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.5 p -69.64 -27.71 34.72 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.809 0 CA-C-O 121.255 0.55 . . . . 50.0 111.247 -177.481 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -68.95 -44.89 72.08 Favored 'General case' 0 C--O 1.222 -0.392 0 O-C-N 121.565 -0.709 . . . . 50.0 111.119 -177.396 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 15.0 m-30 -78.8 -21.5 47.7 Favored 'General case' 0 C--O 1.211 -0.922 0 O-C-N 121.51 -0.744 . . . . 50.0 109.936 177.562 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -61.8 -44.11 97.52 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 118.355 0.525 . . . . 50.0 110.165 177.145 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -64.12 -36.99 85.85 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.338 0.59 . . . . 50.0 111.092 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 79.2 t80 -68.48 -43.13 77.6 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 121.956 -0.465 . . . . 50.0 111.114 176.194 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.01 -35.46 80.3 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.908 0.385 . . . . 25.0 111.387 -178.322 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.97 -25.36 65.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.034 -0.53 . . . . 25.0 111.093 179.587 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -74.61 -26.91 60.22 Favored 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 122.629 0.371 . . . . 50.0 110.782 178.021 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -93.84 -47.07 6.92 Favored 'General case' 0 C--O 1.214 -0.771 0 CA-C-N 116.158 -0.474 . . . . 50.0 111.888 -176.2 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -121.58 67.96 21.27 Favored Pre-proline 0 C--N 1.326 -0.449 0 CA-C-N 115.902 -0.59 . . . . 50.0 110.444 -178.628 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -67.53 139.45 49.0 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 115.41 -2.593 . . . . 50.0 112.51 -176.596 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 82.12 -24.05 4.93 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 114.851 0.7 . . . . 25.0 114.851 -179.406 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -95.49 85.16 4.13 Favored 'General case' 0 CA--C 1.512 -0.483 0 CA-C-N 117.993 0.897 . . . . 50.0 109.966 -176.756 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 11.1 t80 -54.56 -43.26 71.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.292 -0.867 . . . . 50.0 111.805 -179.092 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -60.37 -46.77 88.76 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 112.059 0.392 . . . . 50.0 112.059 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 95.8 mm-40 -70.12 -35.01 73.79 Favored 'General case' 0 C--N 1.321 -0.643 0 O-C-N 121.935 -0.478 . . . . 50.0 110.922 -179.168 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 59.6 mt-30 -57.7 -39.29 76.84 Favored 'General case' 0 C--N 1.315 -0.898 0 N-CA-C 109.568 -0.53 . . . . 50.0 109.568 175.108 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 96.6 mm-40 -72.17 -39.57 68.58 Favored 'General case' 0 N--CA 1.481 1.099 0 O-C-N 121.666 -0.646 . . . . 50.0 110.036 -177.359 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 78.6 mt -62.21 -42.94 97.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 N-CA-C 109.075 -0.713 . . . . 50.0 109.075 178.582 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 33.8 tp -62.56 -51.72 66.27 Favored 'General case' 0 C--O 1.209 -1.059 0 N-CA-C 109.886 -0.412 . . . . 50.0 109.886 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 58.5 mt -56.44 -40.69 69.08 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 CA-C-O 121.002 0.429 . . . . 50.0 111.536 179.627 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 70.5 ttt-85 -61.88 -39.72 92.89 Favored 'General case' 0 C--N 1.321 -0.635 0 O-C-N 122.213 -0.304 . . . . 50.0 110.63 179.098 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -71.99 -39.79 69.03 Favored 'General case' 0 CA--C 1.536 0.436 0 N-CA-C 111.492 0.182 . . . . 25.0 111.492 176.413 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 93.0 mt -60.75 -42.22 96.98 Favored 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 109.537 -0.542 . . . . 50.0 109.537 179.56 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -66.01 -35.17 79.83 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 119.533 -0.27 . . . . 50.0 110.931 179.393 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 82.9 tt0 -70.23 -43.1 71.33 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 117.907 0.322 . . . . 25.0 111.837 179.23 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -66.63 -39.11 88.13 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.883 0.849 . . . . 25.0 109.519 178.734 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 44.1 t-80 -65.42 -31.19 72.16 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.97 -0.559 . . . . 50.0 110.647 176.121 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 41.6 t80 -61.45 -37.77 84.76 Favored 'General case' 0 N--CA 1.472 0.65 0 O-C-N 121.98 -0.45 . . . . 25.0 110.887 179.723 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 80.2 mt-30 -62.6 -43.33 99.09 Favored 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 109.782 -0.451 . . . . 25.0 109.782 179.078 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 11.6 tm0? -66.25 -42.08 89.05 Favored 'General case' 0 C--O 1.222 -0.365 0 N-CA-C 109.862 -0.421 . . . . 50.0 109.862 178.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 23.3 t80 -60.43 -43.27 96.94 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.061 -0.518 . . . . 50.0 109.8 -179.457 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.316 -0.874 0 CA-C-N 116.794 -0.184 . . . . 50.0 111.432 177.58 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 26.1 mtmm . . . . . 0 C--O 1.237 0.41 0 N-CA-C 111.363 0.134 . . . . 25.0 111.363 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 25.2 pt20 -69.98 -23.96 63.24 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 112.872 0.693 . . . . 25.0 112.872 -178.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -68.43 -35.7 78.01 Favored 'General case' 0 CA--C 1.511 -0.529 0 N-CA-C 109.16 -0.681 . . . . 50.0 109.16 179.359 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 24.8 mt -65.38 -39.57 85.66 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.502 0 N-CA-C 108.43 -0.952 . . . . 50.0 108.43 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 93.4 mmm -62.12 -44.22 97.13 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 122.07 -0.394 . . . . 50.0 110.603 177.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.65 -35.28 80.51 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-O 120.754 0.311 . . . . 25.0 111.179 178.749 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.11 -40.97 78.0 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.921 0.391 . . . . 25.0 110.213 178.325 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 54.4 mt -65.38 -33.7 76.57 Favored 'General case' 0 C--O 1.217 -0.657 0 O-C-N 121.991 -0.443 . . . . 50.0 110.988 -178.455 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -59.8 -37.81 80.18 Favored 'General case' 0 C--O 1.215 -0.727 0 CA-C-O 121.252 0.548 . . . . 50.0 110.798 177.647 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 36.9 t -75.21 -42.43 55.58 Favored 'General case' 0 C--O 1.22 -0.454 0 O-C-N 121.69 -0.632 . . . . 25.0 112.317 175.748 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 60.7 mt-30 -64.62 -40.94 96.37 Favored 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 114.334 1.235 . . . . 50.0 114.334 -175.691 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 81.6 p -102.62 6.32 39.65 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-N 115.871 -0.604 . . . . 25.0 111.9 -173.438 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -43.04 -69.03 0.15 Allowed 'General case' 0 C--O 1.242 0.67 0 N-CA-C 114.708 1.373 . . . . 25.0 114.708 -174.746 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.9 p -74.63 -28.02 21.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 121.79 -0.569 . . . . 50.0 111.607 -174.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -58.98 -48.21 82.37 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.886 -0.413 . . . . 50.0 109.886 179.626 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 19.1 m-30 -80.46 -29.48 37.48 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 120.895 -0.322 . . . . 50.0 110.967 179.603 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 15.8 tt0 -62.93 -43.17 99.52 Favored 'General case' 0 C--O 1.221 -0.431 0 O-C-N 121.788 -0.57 . . . . 50.0 112.493 -179.444 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -65.56 -39.11 91.31 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 120.61 -0.436 . . . . 50.0 110.534 -179.633 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 54.9 t80 -67.25 -39.99 86.23 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.872 0.368 . . . . 50.0 111.023 177.146 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.87 -36.49 84.51 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.673 0.273 . . . . 25.0 110.748 179.061 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.29 -29.81 66.66 Favored 'General case' 0 C--O 1.205 -1.282 0 CA-C-N 116.607 -0.269 . . . . 25.0 110.48 179.217 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -70.12 -31.48 69.05 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.226 0.536 . . . . 50.0 110.208 178.261 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 9.2 mm100 -87.82 -46.88 9.05 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 115.858 -0.61 . . . . 50.0 111.394 -175.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -122.17 68.92 28.48 Favored Pre-proline 0 C--O 1.242 0.669 0 CA-C-N 116.378 -0.374 . . . . 50.0 110.43 -178.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -68.7 140.07 45.84 Favored 'Trans proline' 0 C--O 1.216 -0.608 0 C-N-CA 116.484 -1.877 . . . . 50.0 113.048 -178.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 86.0 -22.2 12.98 Favored Glycine 0 C--O 1.216 -1.009 0 CA-C-N 115.393 -0.821 . . . . 25.0 115.09 -178.227 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -103.99 85.24 2.37 Favored 'General case' 0 CA--C 1.507 -0.703 0 CA-C-N 118.518 1.159 . . . . 50.0 111.818 -175.198 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 39.5 t80 -51.15 -43.87 61.3 Favored 'General case' 0 C--O 1.218 -0.565 0 C-N-CA 122.459 0.304 . . . . 50.0 111.153 179.085 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 19.1 pt-20 -61.2 -43.31 99.08 Favored 'General case' 0 C--O 1.213 -0.847 0 N-CA-C 113.242 0.83 . . . . 50.0 113.242 -178.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 87.8 mm-40 -71.51 -35.35 70.71 Favored 'General case' 0 CA--C 1.507 -0.677 0 N-CA-C 109.728 -0.471 . . . . 50.0 109.728 -179.01 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 64.6 mt-30 -58.63 -37.83 76.74 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.06 -1.089 . . . . 50.0 108.06 176.544 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 76.1 mm-40 -73.57 -36.91 65.64 Favored 'General case' 0 N--CA 1.47 0.565 0 O-C-N 121.529 -0.732 . . . . 50.0 111.289 -175.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 75.3 mt -62.12 -43.93 98.39 Favored 'Isoleucine or valine' 0 C--O 1.238 0.5 0 N-CA-C 108.701 -0.852 . . . . 50.0 108.701 177.664 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 40.7 tp -64.47 -48.96 73.26 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.552 -0.459 . . . . 50.0 110.81 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 83.5 mt -58.92 -38.25 72.12 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.598 0 N-CA-C 111.914 0.338 . . . . 50.0 111.914 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 61.9 mtp180 -57.33 -43.58 83.47 Favored 'General case' 0 C--N 1.327 -0.381 0 O-C-N 121.739 -0.601 . . . . 50.0 110.565 178.212 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 82.7 mt-30 -77.21 -30.47 54.72 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 112.229 0.455 . . . . 25.0 112.229 -178.332 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 91.3 mt -64.21 -41.33 97.09 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.637 0.732 . . . . 50.0 109.082 177.115 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 21.4 mt-30 -69.39 -37.29 77.45 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.985 -0.552 . . . . 50.0 110.193 179.576 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 48.8 tt0 -61.92 -45.11 95.12 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.819 0.818 . . . . 25.0 109.853 178.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 14.4 tp60 -65.68 -38.04 88.15 Favored 'General case' 0 C--N 1.321 -0.662 0 O-C-N 121.292 -0.88 . . . . 25.0 112.173 -179.347 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 60.4 t60 -65.61 -26.38 67.8 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.222 0.534 . . . . 50.0 112.054 -178.69 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 19.6 t80 -60.12 -32.54 71.11 Favored 'General case' 0 C--O 1.243 0.757 0 N-CA-C 113.089 0.774 . . . . 25.0 113.089 179.334 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 -61.45 -40.23 93.72 Favored 'General case' 0 N--CA 1.478 0.956 0 CA-C-N 116.537 -0.301 . . . . 25.0 110.509 -179.573 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -71.61 -36.39 70.78 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.986 0.422 . . . . 50.0 110.263 -178.468 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 18.1 t80 -60.87 -41.11 95.31 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.302 0.572 . . . . 50.0 109.706 176.498 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.322 -0.603 0 O-C-N 121.865 -0.522 . . . . 50.0 111.093 179.744 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 58.3 mtmt . . . . . 0 C--O 1.221 -0.437 0 N-CA-C 111.862 0.319 . . . . 25.0 111.862 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -62.8 -26.41 68.72 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 112.76 0.652 . . . . 25.0 112.76 177.024 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -67.18 -38.6 85.68 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.093 -0.706 . . . . 50.0 109.093 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 38.4 mt -69.17 -43.34 81.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 108.322 -0.992 . . . . 50.0 108.322 179.642 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 66.5 mmm -60.64 -42.06 96.16 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 116.222 -0.445 . . . . 50.0 111.822 179.465 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.59 -40.33 95.34 Favored 'General case' 0 C--O 1.242 0.703 0 CA-C-O 121.511 0.672 . . . . 25.0 110.879 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.85 -45.9 80.47 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 115.87 -0.605 . . . . 25.0 110.837 -179.486 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 74.7 mt -62.67 -41.37 99.05 Favored 'General case' 0 C--O 1.232 0.148 0 C-N-CA 120.787 -0.365 . . . . 50.0 110.267 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 6.0 m-80 -61.38 -36.08 79.25 Favored 'General case' 0 CA--C 1.511 -0.557 0 CA-C-O 121.087 0.47 . . . . 50.0 109.858 -179.582 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 21.6 m -68.76 -45.0 72.53 Favored 'General case' 0 C--O 1.208 -1.08 0 CA-C-O 121.565 0.698 . . . . 25.0 112.248 177.465 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 31.0 mm100 -66.69 -25.15 66.41 Favored 'General case' 0 C--O 1.235 0.313 0 N-CA-C 113.513 0.931 . . . . 50.0 113.513 -175.319 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 56.0 p -118.96 10.94 12.37 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 113.121 0.785 . . . . 25.0 113.121 -174.342 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.51 -66.21 0.42 Allowed 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 113.146 0.795 . . . . 25.0 113.146 -177.026 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 10.9 p -70.79 -28.55 34.34 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.765 0 CA-C-O 121.996 0.903 . . . . 50.0 109.961 -176.711 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 39.9 tt0 -61.14 -45.42 94.71 Favored 'General case' 0 C--O 1.218 -0.589 0 CA-C-O 121.885 0.85 . . . . 50.0 111.109 -178.443 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 19.0 m-30 -78.3 -26.03 46.82 Favored 'General case' 0 CA--C 1.504 -0.795 0 CA-C-N 115.794 -0.639 . . . . 50.0 110.981 177.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 44.5 tt0 -64.21 -41.09 97.19 Favored 'General case' 0 N--CA 1.472 0.631 0 O-C-N 121.305 -0.872 . . . . 50.0 110.34 178.123 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 82.9 mt-30 -63.95 -41.14 97.68 Favored 'General case' 0 C--O 1.241 0.655 0 CA-C-N 116.27 -0.423 . . . . 50.0 110.779 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 57.2 t80 -67.22 -41.64 85.38 Favored 'General case' 0 C--O 1.208 -1.097 0 CA-C-O 121.691 0.758 . . . . 50.0 110.49 177.353 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.59 -41.28 97.2 Favored 'General case' 0 C--N 1.344 0.336 0 CA-C-N 115.867 -0.606 . . . . 25.0 109.453 -178.529 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.44 -30.22 69.05 Favored 'General case' 0 C--O 1.207 -1.149 0 CA-C-O 121.102 0.477 . . . . 25.0 110.768 -179.777 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -69.45 -26.36 64.55 Favored 'General case' 0 C--N 1.311 -1.089 0 CA-C-N 116.262 -0.426 . . . . 50.0 110.891 179.113 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 28.4 mm100 -95.49 -41.93 8.71 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 113.398 0.888 . . . . 50.0 113.398 -176.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 24.6 m-85 -122.89 68.39 34.09 Favored Pre-proline 0 C--O 1.253 1.27 0 CA-C-O 121.688 0.756 . . . . 50.0 111.299 179.749 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_endo -71.07 138.27 33.35 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 115.91 -2.26 . . . . 50.0 113.231 -177.491 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 82.95 -9.35 60.38 Favored Glycine 0 N--CA 1.463 0.461 0 O-C-N 121.942 -0.474 . . . . 25.0 114.268 -178.347 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -114.16 81.41 1.53 Allowed 'General case' 0 C--O 1.227 -0.112 0 O-C-N 121.784 -0.833 . . . . 50.0 111.71 -176.549 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 11.1 t80 -54.19 -39.64 66.82 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.721 -0.672 . . . . 50.0 111.651 179.689 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -60.27 -45.98 91.41 Favored 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 112.437 0.532 . . . . 50.0 112.437 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -73.64 -32.49 64.06 Favored 'General case' 0 CA--C 1.503 -0.833 0 O-C-N 121.755 -0.591 . . . . 50.0 111.39 -177.652 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 66.6 mt-30 -60.18 -38.66 83.91 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.61 -0.723 . . . . 50.0 110.755 173.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 93.0 mm-40 -72.2 -36.92 69.32 Favored 'General case' 0 C--N 1.32 -0.695 0 O-C-N 122.07 -0.394 . . . . 50.0 110.755 -178.3 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 65.1 mt -66.17 -46.32 87.86 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.427 0 N-CA-C 109.988 -0.375 . . . . 50.0 109.988 178.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 19.7 tp -55.98 -46.53 78.65 Favored 'General case' 0 C--O 1.244 0.792 0 N-CA-C 113.204 0.816 . . . . 50.0 113.204 -177.059 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 68.1 mt -56.63 -35.21 44.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 C-N-CA 122.907 0.483 . . . . 50.0 111.346 -178.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 89.5 mtt180 -60.68 -44.71 96.18 Favored 'General case' 0 N--CA 1.471 0.581 0 O-C-N 121.456 -0.777 . . . . 50.0 111.338 178.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.5 mp0 -66.94 -39.08 87.21 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.943 -0.571 . . . . 25.0 111.546 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 92.0 mt -59.75 -50.09 75.19 Favored 'General case' 0 C--N 1.312 -1.042 0 CA-C-O 121.276 0.56 . . . . 50.0 110.206 177.684 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 45.8 mm-40 -61.44 -42.21 98.39 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.438 -0.347 . . . . 50.0 111.68 -176.623 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 63.5 tt0 -65.26 -45.42 84.6 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 109.512 -0.551 . . . . 25.0 109.512 -178.108 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 40.5 tt0 -64.77 -41.07 96.14 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-O 121.601 0.715 . . . . 25.0 112.229 -179.505 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 50.8 m-70 -66.9 -21.6 65.99 Favored 'General case' 0 C--O 1.241 0.647 0 O-C-N 121.245 -0.909 . . . . 50.0 112.533 -176.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 41.5 t80 -60.88 -32.38 71.83 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-O 122.178 0.99 . . . . 25.0 112.839 173.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -61.89 -42.58 99.24 Favored 'General case' 0 N--CA 1.482 1.156 0 O-C-N 121.773 -0.58 . . . . 25.0 109.805 -179.454 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 40.6 tt0 -68.36 -36.65 79.54 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.98 -0.555 . . . . 50.0 110.461 -179.602 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 20.9 t80 -62.73 -36.55 83.36 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.94 0.4 . . . . 50.0 111.644 178.237 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.54 0.558 0 C-N-CA 120.182 -0.607 . . . . 50.0 110.421 176.29 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 56.1 mtmt . . . . . 0 C--O 1.222 -0.359 0 N-CA-C 114.292 1.219 . . . . 25.0 114.292 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 92.2 mt-30 -69.44 -24.46 63.82 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 112.094 0.405 . . . . 25.0 112.094 179.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 67.5 mm-40 -66.65 -39.33 88.19 Favored 'General case' 0 N--CA 1.466 0.374 0 N-CA-C 108.042 -1.096 . . . . 50.0 108.042 176.794 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 57.5 mt -67.77 -41.27 85.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 108.959 -0.756 . . . . 50.0 108.959 -179.779 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 87.7 mtp -63.63 -32.62 74.16 Favored 'General case' 0 C--N 1.321 -0.632 0 O-C-N 121.645 -0.66 . . . . 50.0 112.101 178.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.17 -38.86 78.92 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.784 0.326 . . . . 25.0 110.143 178.017 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.1 -42.02 85.27 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-O 120.889 0.376 . . . . 25.0 110.199 178.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 73.2 mt -63.06 -37.49 87.42 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-N 116.045 -0.525 . . . . 50.0 109.751 177.697 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -59.32 -38.46 80.33 Favored 'General case' 0 C--O 1.216 -0.692 0 C-N-CA 121.141 -0.224 . . . . 50.0 111.315 179.062 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 46.4 t -68.9 -44.92 72.23 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.347 0.594 . . . . 25.0 110.73 -179.708 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 94.4 mm-40 -65.66 -28.94 69.46 Favored 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 113.922 1.082 . . . . 50.0 113.922 -178.727 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 69.6 p -110.56 6.25 21.77 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 113.576 0.954 . . . . 25.0 113.576 -174.179 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.28 -72.5 0.05 Allowed 'General case' 0 C--O 1.219 -0.503 0 N-CA-C 113.096 0.776 . . . . 25.0 113.096 -174.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.0 p -69.74 -25.92 29.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 121.195 0.521 . . . . 50.0 109.821 -176.665 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 15.9 tt0 -59.88 -50.63 73.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.903 -0.589 . . . . 50.0 110.48 -179.604 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 19.5 m-30 -85.7 -20.82 28.8 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.191 -0.459 . . . . 50.0 111.077 -178.066 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 60.4 tt0 -61.64 -48.61 80.1 Favored 'General case' 0 N--CA 1.473 0.691 0 O-C-N 121.684 -0.635 . . . . 50.0 112.024 178.406 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 96.2 mm-40 -67.44 -34.91 78.19 Favored 'General case' 0 N--CA 1.451 -0.383 0 N-CA-C 109.349 -0.611 . . . . 50.0 109.349 -177.277 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 64.1 t80 -66.29 -43.02 87.54 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 121.735 -0.603 . . . . 50.0 111.109 175.357 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.3 -37.86 88.98 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 121.948 -0.47 . . . . 25.0 110.531 -177.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.44 -28.23 68.44 Favored 'General case' 0 C--O 1.216 -0.658 0 CA-C-N 116.699 -0.228 . . . . 25.0 110.643 177.05 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 21.1 tt0 -73.11 -20.54 60.91 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.179 -0.464 . . . . 50.0 111.418 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 97.8 mm-40 -100.32 -49.19 4.33 Favored 'General case' 0 N--CA 1.475 0.818 0 CA-C-N 116.12 -0.491 . . . . 50.0 111.116 -178.512 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 18.9 m-85 -119.62 69.9 12.56 Favored Pre-proline 0 C--O 1.247 0.95 0 CA-C-O 121.05 0.452 . . . . 50.0 110.875 -178.045 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 69.0 Cg_endo -70.08 141.84 44.97 Favored 'Trans proline' 0 C--O 1.212 -0.791 0 C-N-CA 116.393 -1.938 . . . . 50.0 112.862 -178.38 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 81.32 -9.47 54.37 Favored Glycine 0 CA--C 1.526 0.75 0 N-CA-C 114.931 0.733 . . . . 25.0 114.931 -179.01 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -111.35 83.49 1.78 Allowed 'General case' 0 CA--C 1.512 -0.518 0 O-C-N 121.695 -0.885 . . . . 50.0 110.866 -175.508 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 59.0 t80 -54.05 -47.52 71.55 Favored 'General case' 0 N--CA 1.466 0.327 0 N-CA-C 112.048 0.388 . . . . 50.0 112.048 -178.54 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -58.12 -44.87 87.96 Favored 'General case' 0 C--O 1.247 0.923 0 O-C-N 121.807 -0.558 . . . . 50.0 111.947 -176.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 91.1 mt-30 -69.98 -36.95 75.59 Favored 'General case' 0 CA--C 1.503 -0.861 0 CA-C-N 116.334 -0.394 . . . . 50.0 111.048 -177.269 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 70.5 mt-30 -59.37 -37.26 77.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.967 -0.561 . . . . 50.0 110.303 177.632 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 28.5 mm-40 -70.59 -39.68 73.71 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.254 0.549 . . . . 50.0 109.937 -176.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 77.0 mt -62.25 -43.36 97.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.326 -0.397 . . . . 50.0 109.99 177.735 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 36.8 tp -63.21 -45.96 89.24 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.089 -0.505 . . . . 50.0 111.059 -177.696 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 64.1 mt -59.03 -40.65 81.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.463 -0.335 . . . . 50.0 111.515 178.185 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 35.6 mtp180 -62.23 -42.77 99.61 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 120.265 -0.574 . . . . 50.0 109.645 178.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 62.0 tt0 -59.97 -42.43 94.11 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-O 121.032 0.444 . . . . 25.0 110.486 179.051 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 51.1 mt -64.23 -42.92 96.34 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.35 -0.386 . . . . 50.0 110.101 179.677 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -71.31 -39.1 71.66 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 113.26 0.837 . . . . 50.0 113.26 -178.445 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -68.53 -38.32 80.75 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.844 0.354 . . . . 25.0 110.797 179.576 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 19.5 mm100 -66.04 -42.96 88.86 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-O 121.072 0.463 . . . . 25.0 110.251 172.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 25.1 t60 -62.87 -28.22 69.89 Favored 'General case' 0 C--N 1.328 -0.36 0 O-C-N 122.128 -0.357 . . . . 50.0 110.88 179.31 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 59.9 t80 -58.12 -42.7 86.36 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 121.784 -0.573 . . . . 25.0 110.956 -179.417 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 93.0 mm-40 -66.28 -41.81 89.3 Favored 'General case' 0 C--O 1.251 1.18 0 N-CA-C 109.502 -0.555 . . . . 25.0 109.502 -179.405 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 37.7 tt0 -62.26 -41.91 98.86 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 121.081 0.467 . . . . 50.0 110.76 178.699 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 56.7 t80 -66.53 -38.98 88.32 Favored 'General case' 0 C--O 1.217 -0.611 0 CA-C-N 116.141 -0.481 . . . . 50.0 111.753 179.495 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 121.996 -0.44 . . . . 50.0 110.902 178.549 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 25.7 mtpp . . . . . 0 C--O 1.222 -0.356 0 N-CA-C 115.15 1.537 . . . . 25.0 115.15 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 65.7 mt-30 -65.71 -24.42 66.98 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 113.82 1.044 . . . . 25.0 113.82 -176.153 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 -61.21 -42.61 98.89 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.963 0.887 . . . . 50.0 109.179 177.689 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 28.7 mt -70.52 -40.21 77.08 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.492 0 CA-C-N 115.062 -0.972 . . . . 50.0 109.141 -178.514 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 87.3 mtp -59.28 -52.93 63.52 Favored 'General case' 0 C--O 1.22 -0.485 0 CA-C-N 116.372 -0.376 . . . . 50.0 110.533 179.136 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.33 -39.23 86.31 Favored 'General case' 0 C--N 1.322 -0.616 0 O-C-N 123.279 0.362 . . . . 25.0 111.365 -178.029 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.56 -44.82 96.34 Favored 'General case' 0 C--N 1.322 -0.618 0 C-N-CA 120.394 -0.522 . . . . 25.0 110.154 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 91.9 mt -71.29 -41.1 70.39 Favored 'General case' 0 C--O 1.22 -0.449 0 CA-C-O 120.707 0.289 . . . . 50.0 111.161 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 11.8 m120 -63.9 -31.33 72.47 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 116.67 -0.241 . . . . 50.0 111.569 -175.61 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 50.8 m -63.65 -34.56 78.11 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.229 0.538 . . . . 25.0 110.334 -179.402 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 11.5 mm100 -74.76 -20.6 59.75 Favored 'General case' 0 N--CA 1.468 0.433 0 N-CA-C 112.606 0.595 . . . . 50.0 112.606 -179.616 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 66.8 p -114.2 3.27 15.11 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 113.67 0.989 . . . . 25.0 113.67 -174.665 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -54.35 -63.58 1.11 Allowed 'General case' 0 C--O 1.246 0.907 0 N-CA-C 112.939 0.718 . . . . 25.0 112.939 -173.744 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.9 p -72.03 -24.8 22.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 121.425 0.631 . . . . 50.0 111.324 -177.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -61.16 -47.43 86.21 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.737 0.78 . . . . 50.0 110.36 177.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 -69.06 -32.15 71.42 Favored 'General case' 0 N--CA 1.439 -1.006 0 CA-C-N 115.951 -0.568 . . . . 50.0 111.419 176.64 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 40.6 tt0 -64.11 -39.16 93.45 Favored 'General case' 0 CA--C 1.533 0.293 0 O-C-N 122.135 -0.353 . . . . 50.0 111.319 -179.249 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 81.5 mt-30 -64.73 -44.39 90.33 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.794 -0.184 . . . . 50.0 110.544 176.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 91.1 t80 -65.41 -39.91 92.73 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.233 0.539 . . . . 50.0 110.876 178.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.37 -35.36 78.92 Favored 'General case' 0 C--N 1.322 -0.605 0 O-C-N 121.525 -0.734 . . . . 25.0 111.17 179.642 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.33 -28.12 67.71 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 122.105 -0.372 . . . . 25.0 111.625 177.394 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 26.3 tt0 -76.2 -26.06 55.78 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 121.371 0.605 . . . . 50.0 110.831 179.137 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 80.6 mm-40 -90.42 -49.2 6.65 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.579 -0.737 . . . . 50.0 112.46 -177.105 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -122.71 71.87 40.56 Favored Pre-proline 0 C--N 1.331 -0.228 0 CA-C-N 115.882 -0.599 . . . . 50.0 110.248 -177.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_endo -70.55 135.59 28.92 Favored 'Trans proline' 0 CA--C 1.532 0.388 0 C-N-CA 116.58 -1.813 . . . . 50.0 112.945 -178.181 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 83.53 -10.94 57.97 Favored Glycine 0 CA--C 1.528 0.893 0 N-CA-C 115.099 0.799 . . . . 25.0 115.099 -178.64 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 21.7 m120 -108.27 86.86 2.37 Favored 'General case' 0 C--O 1.223 -0.291 0 CA-C-N 117.839 0.819 . . . . 50.0 110.617 -178.262 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 71.6 t80 -55.98 -46.67 78.59 Favored 'General case' 0 C--O 1.21 -1.0 0 N-CA-C 112.887 0.699 . . . . 50.0 112.887 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -60.5 -44.11 96.32 Favored 'General case' 0 CA--C 1.541 0.617 0 O-C-N 121.403 -0.811 . . . . 50.0 111.338 -178.512 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -70.22 -34.77 73.3 Favored 'General case' 0 CA--C 1.507 -0.691 0 O-C-N 121.805 -0.559 . . . . 50.0 110.543 -176.734 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 73.0 mt-30 -60.04 -38.19 82.03 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 108.845 -0.798 . . . . 50.0 108.845 174.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 76.4 mm-40 -72.09 -38.74 69.31 Favored 'General case' 0 C--O 1.24 0.602 0 N-CA-C 109.283 -0.636 . . . . 50.0 109.283 -174.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 82.1 mt -62.28 -43.11 97.65 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.255 0 N-CA-C 108.528 -0.915 . . . . 50.0 108.528 -179.735 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 51.5 tp -63.21 -48.74 77.03 Favored 'General case' 0 C--O 1.215 -0.712 0 C-N-CA 120.75 -0.38 . . . . 50.0 111.248 179.024 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 67.2 mt -56.79 -37.34 53.01 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 O-C-N 122.024 -0.423 . . . . 50.0 111.656 179.737 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 34.6 mmt180 -61.83 -48.46 80.48 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 121.884 -0.51 . . . . 50.0 109.924 176.758 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 49.3 tt0 -60.18 -43.59 95.74 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.367 -0.379 . . . . 25.0 110.663 -179.067 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 72.1 mt -65.04 -36.98 86.1 Favored 'General case' 0 CA--C 1.544 0.74 0 N-CA-C 112.325 0.491 . . . . 50.0 112.325 -178.699 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -63.99 -42.71 97.1 Favored 'General case' 0 C--N 1.322 -0.627 0 O-C-N 121.919 -0.488 . . . . 50.0 110.192 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 90.2 mt-10 -73.99 -36.74 64.54 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.745 0.307 . . . . 25.0 110.856 179.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 42.5 tt0 -60.51 -43.34 97.2 Favored 'General case' 0 C--N 1.319 -0.75 0 O-C-N 121.557 -0.714 . . . . 25.0 111.67 176.213 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 9.1 t-80 -65.21 -31.86 73.24 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.692 0.758 . . . . 50.0 110.344 179.465 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 44.0 t80 -72.19 -40.22 68.06 Favored 'General case' 0 C--N 1.314 -0.937 0 O-C-N 121.864 -0.523 . . . . 25.0 110.993 176.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -61.53 -38.05 85.99 Favored 'General case' 0 C--N 1.327 -0.394 0 O-C-N 121.632 -0.667 . . . . 25.0 111.262 175.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -61.41 -45.35 94.69 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-O 121.454 0.645 . . . . 50.0 110.088 176.658 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 49.4 t80 -63.31 -36.49 83.87 Favored 'General case' 0 CA--C 1.547 0.846 0 O-C-N 121.595 -0.691 . . . . 50.0 110.891 177.719 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.32 -0.678 0 O-C-N 121.704 -0.623 . . . . 50.0 111.813 178.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 66.2 mttm . . . . . 0 N--CA 1.469 0.517 0 N-CA-C 116.277 1.954 . . . . 25.0 116.277 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 57.4 mt-30 -67.22 -22.65 65.69 Favored 'General case' 0 C--O 1.212 -0.886 0 N-CA-C 109.41 -0.589 . . . . 25.0 109.41 175.044 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 98.2 mm-40 -61.02 -45.45 94.75 Favored 'General case' 0 C--O 1.207 -1.179 0 CA-C-N 115.658 -0.701 . . . . 50.0 111.566 170.772 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 56.8 mt -65.32 -43.64 94.95 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 N-CA-C 108.603 -0.888 . . . . 50.0 108.603 178.673 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 65.8 mtp -60.33 -38.58 84.2 Favored 'General case' 0 C--O 1.207 -1.157 0 CA-C-O 119.094 -0.479 . . . . 50.0 111.925 177.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.24 -40.79 90.47 Favored 'General case' 0 CA--C 1.512 -0.485 0 CA-C-N 118.313 0.506 . . . . 25.0 110.432 179.715 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.22 -34.27 75.94 Favored 'General case' 0 CA--C 1.555 1.159 0 CA-C-O 121.631 0.729 . . . . 25.0 110.355 179.574 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 57.7 mt -72.52 -43.97 62.83 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.833 -0.621 . . . . 50.0 112.635 178.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 -58.57 -36.59 74.19 Favored 'General case' 0 CA--C 1.506 -0.723 0 N-CA-C 109.585 -0.524 . . . . 50.0 109.585 179.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 70.3 m -61.17 -29.06 69.57 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 115.461 -0.79 . . . . 25.0 112.133 -178.172 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -83.06 -27.58 30.17 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.788 0.804 . . . . 50.0 110.583 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 69.1 p -102.22 -8.21 21.5 Favored 'General case' 0 C--O 1.214 -0.789 0 N-CA-C 113.912 1.079 . . . . 25.0 113.912 -170.556 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -49.57 -70.59 0.08 Allowed 'General case' 0 CA--C 1.548 0.887 0 N-CA-C 115.198 1.555 . . . . 25.0 115.198 -173.363 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.3 p -69.4 -23.68 26.74 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.316 0 CA-C-O 121.874 0.845 . . . . 50.0 110.563 -179.707 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 39.2 tt0 -66.26 -49.51 66.9 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-O 121.649 0.737 . . . . 50.0 110.371 -178.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 13.9 m-30 -79.47 -23.01 43.34 Favored 'General case' 0 CA--C 1.51 -0.562 0 CA-C-N 115.806 -0.634 . . . . 50.0 111.451 -177.172 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -60.85 -36.84 80.17 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 123.708 0.63 . . . . 50.0 111.825 176.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 -71.42 -36.9 71.47 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.544 -0.723 . . . . 50.0 110.633 -177.07 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 77.0 t80 -69.53 -36.65 76.59 Favored 'General case' 0 C--N 1.329 -0.323 0 O-C-N 123.959 0.787 . . . . 50.0 110.486 173.222 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.54 -36.71 83.33 Favored 'General case' 0 C--O 1.239 0.552 0 C-N-CA 120.126 -0.63 . . . . 25.0 109.597 -179.646 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.38 -20.37 62.15 Favored 'General case' 0 C--O 1.211 -0.93 0 O-C-N 121.727 -0.608 . . . . 25.0 111.22 177.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 16.2 tt0 -79.08 -22.47 45.25 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 120.979 0.419 . . . . 50.0 111.854 178.225 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -97.15 -44.81 6.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.199 -0.909 . . . . 50.0 113.245 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 29.5 m-85 -125.27 71.39 64.06 Favored Pre-proline 0 C--O 1.249 1.048 0 O-C-N 124.41 1.069 . . . . 50.0 111.74 179.16 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_endo -71.43 139.39 34.54 Favored 'Trans proline' 0 C--O 1.194 -1.711 0 C-N-CA 115.195 -2.737 . . . . 50.0 111.402 179.716 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 81.39 0.2 88.72 Favored Glycine 0 N--CA 1.466 0.695 0 C-N-CA 119.927 -1.13 . . . . 25.0 115.614 -179.037 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 27.4 m120 -121.4 87.03 2.68 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 117.997 0.898 . . . . 50.0 111.694 -177.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 48.5 t80 -54.37 -45.2 72.75 Favored 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 112.896 0.702 . . . . 50.0 112.896 177.607 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -61.19 -47.8 84.46 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 118.102 0.41 . . . . 50.0 111.5 -179.599 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 91.4 mm-40 -66.87 -34.58 78.11 Favored 'General case' 0 CA--C 1.513 -0.455 0 CA-C-O 121.784 0.802 . . . . 50.0 111.122 -178.191 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -61.28 -36.08 79.06 Favored 'General case' 0 CA--C 1.505 -0.757 0 N-CA-C 108.943 -0.762 . . . . 50.0 108.943 176.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 93.0 mm-40 -75.54 -35.06 60.77 Favored 'General case' 0 C--O 1.249 1.03 0 C-N-CA 120.207 -0.597 . . . . 50.0 111.135 -176.677 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 86.5 mt -61.3 -47.13 94.88 Favored 'Isoleucine or valine' 0 C--O 1.239 0.551 0 N-CA-C 108.062 -1.088 . . . . 50.0 108.062 179.176 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 24.5 tp -65.15 -47.94 75.28 Favored 'General case' 0 C--O 1.221 -0.435 0 CA-C-N 115.714 -0.675 . . . . 50.0 111.318 -177.017 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 61.0 mt -58.43 -40.63 79.11 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 CA-C-O 120.887 0.375 . . . . 50.0 111.73 -179.266 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 65.3 mtp180 -59.23 -44.92 92.31 Favored 'General case' 0 N--CA 1.476 0.84 0 O-C-N 121.769 -0.582 . . . . 50.0 110.483 178.704 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 30.7 tp60 -62.47 -43.31 99.13 Favored 'General case' 0 N--CA 1.45 -0.47 0 O-C-N 123.229 0.331 . . . . 25.0 111.6 178.796 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 19.3 mt -63.25 -42.02 99.14 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.224 -0.658 . . . . 50.0 109.224 -176.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -66.24 -39.35 89.47 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 121.996 -0.44 . . . . 50.0 112.084 -176.622 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 85.6 mt-10 -68.73 -32.86 72.94 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-O 121.727 0.775 . . . . 25.0 110.217 177.713 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 33.8 tt0 -70.22 -40.67 74.37 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.195 -0.457 . . . . 25.0 110.667 -179.41 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 23.2 m-70 -70.0 -19.56 63.33 Favored 'General case' 0 N--CA 1.478 0.95 0 O-C-N 122.097 -0.377 . . . . 50.0 111.707 177.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 60.8 t80 -58.53 -36.39 73.79 Favored 'General case' 0 C--N 1.313 -1.001 0 C-N-CA 121.091 -0.244 . . . . 25.0 111.434 177.105 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -64.03 -38.91 92.81 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 111.972 0.36 . . . . 25.0 111.972 179.448 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 45.6 tt0 -65.39 -41.35 93.78 Favored 'General case' 0 CA--C 1.512 -0.51 0 CA-C-O 121.612 0.72 . . . . 50.0 109.114 -178.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 40.0 t80 -64.2 -43.22 95.72 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.811 0.815 . . . . 50.0 110.604 178.74 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.322 -0.624 0 CA-C-N 115.144 -0.935 . . . . 50.0 111.603 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 97.5 mttt . . . . . 0 CA--C 1.509 -0.599 0 N-CA-C 112.874 0.694 . . . . 25.0 112.874 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.41 -29.07 69.7 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 112.926 0.713 . . . . 25.0 112.926 -176.084 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 94.4 mm-40 -63.64 -41.34 98.25 Favored 'General case' 0 N--CA 1.456 -0.144 0 CA-C-O 122.06 0.934 . . . . 50.0 110.109 178.056 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 28.5 mt -69.78 -39.64 78.14 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.885 0 CA-C-N 114.564 -1.198 . . . . 50.0 109.015 -178.21 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 92.7 mtp -62.54 -42.2 99.38 Favored 'General case' 0 C--N 1.309 -1.168 0 N-CA-C 111.982 0.364 . . . . 50.0 111.982 176.736 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.22 -41.95 89.85 Favored 'General case' 0 C--O 1.223 -0.304 0 CA-C-O 121.245 0.545 . . . . 25.0 110.774 179.453 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.52 -46.9 83.93 Favored 'General case' 0 CA--C 1.548 0.896 0 CA-C-O 121.663 0.744 . . . . 25.0 110.17 -178.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 58.0 mt -67.85 -36.59 80.58 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.523 0.678 . . . . 50.0 110.464 -177.654 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 63.7 m-20 -63.15 -36.3 83.17 Favored 'General case' 0 CA--C 1.508 -0.653 0 CA-C-N 116.096 -0.502 . . . . 50.0 111.503 178.718 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 42.4 t -63.21 -40.77 98.43 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 123.074 0.234 . . . . 25.0 110.822 179.088 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 89.3 mm-40 -76.22 -24.07 54.62 Favored 'General case' 0 C--N 1.332 -0.163 0 N-CA-C 112.329 0.492 . . . . 50.0 112.329 -175.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 38.4 p -104.37 -8.29 19.31 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 113.294 0.85 . . . . 25.0 113.294 -173.193 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -49.92 -63.57 1.07 Allowed 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 113.458 0.91 . . . . 25.0 113.458 -174.668 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 8.3 p -68.72 -32.18 53.88 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 O-C-N 121.292 -0.88 . . . . 50.0 111.599 -175.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 66.2 tt0 -64.48 -45.15 88.57 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 121.096 0.474 . . . . 50.0 109.993 -179.698 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 16.2 m-30 -75.34 -28.45 59.6 Favored 'General case' 0 C--O 1.212 -0.897 0 CA-C-N 115.674 -0.694 . . . . 50.0 110.275 179.246 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 39.2 tt0 -62.26 -43.61 98.44 Favored 'General case' 0 C--N 1.323 -0.582 0 O-C-N 121.404 -0.81 . . . . 50.0 112.577 178.68 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -61.79 -42.17 98.66 Favored 'General case' 0 C--O 1.239 0.549 0 N-CA-C 109.303 -0.629 . . . . 50.0 109.303 178.283 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 83.8 t80 -66.67 -44.19 82.48 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 111.91 0.337 . . . . 50.0 111.91 176.802 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.66 -38.09 83.7 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-O 121.148 0.499 . . . . 25.0 111.72 -177.629 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.17 -28.39 69.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.811 -0.632 . . . . 25.0 109.414 179.532 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -79.37 -19.26 50.59 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.814 -0.175 . . . . 50.0 110.746 -178.647 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 94.2 mm-40 -96.95 -44.87 6.83 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 122.134 -0.354 . . . . 50.0 111.883 -179.251 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -121.54 73.62 31.5 Favored Pre-proline 0 C--O 1.25 1.092 0 N-CA-C 108.677 -0.86 . . . . 50.0 108.677 178.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -68.59 137.39 38.95 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 116.475 -1.883 . . . . 50.0 113.741 -174.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 83.37 -21.63 8.39 Favored Glycine 0 N--CA 1.446 -0.644 0 N-CA-C 115.322 0.889 . . . . 25.0 115.322 -177.759 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 22.9 m120 -94.74 85.42 4.45 Favored 'General case' 0 N--CA 1.471 0.623 0 O-C-N 121.436 -1.038 . . . . 50.0 111.371 -175.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 64.2 t80 -54.44 -43.76 71.9 Favored 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 112.801 0.667 . . . . 50.0 112.801 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 20.4 pt-20 -61.26 -46.45 90.3 Favored 'General case' 0 C--O 1.206 -1.237 0 O-C-N 122.078 -0.389 . . . . 50.0 112.029 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 87.3 mm-40 -67.84 -35.71 79.06 Favored 'General case' 0 CA--C 1.509 -0.612 0 CA-C-O 121.701 0.762 . . . . 50.0 111.949 179.413 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 56.1 mt-30 -59.68 -38.98 82.99 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.63 -0.714 . . . . 50.0 110.232 177.44 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 79.6 mm-40 -71.33 -39.16 71.55 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-O 121.798 0.809 . . . . 50.0 110.743 -178.245 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 73.5 mt -62.71 -42.54 96.54 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.587 0 N-CA-C 108.302 -0.999 . . . . 50.0 108.302 178.322 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 37.2 tp -64.24 -47.77 78.36 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.124 0.487 . . . . 50.0 111.339 -178.238 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 59.9 mt -57.28 -42.91 81.11 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.003 0 O-C-N 121.467 -0.771 . . . . 50.0 109.893 178.253 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 7.9 tmm_? -62.02 -41.95 98.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 118.856 -0.592 . . . . 50.0 109.957 178.546 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -64.7 -41.11 96.26 Favored 'General case' 0 C--N 1.311 -1.079 0 CA-C-N 118.395 0.543 . . . . 25.0 110.716 178.486 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 78.3 mt -65.26 -37.4 87.1 Favored 'General case' 0 C--N 1.349 0.577 0 CA-C-O 120.95 0.405 . . . . 50.0 111.834 179.521 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -68.4 -41.57 80.29 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.566 -0.288 . . . . 50.0 110.406 179.433 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -70.52 -32.5 70.0 Favored 'General case' 0 N--CA 1.482 1.143 0 O-C-N 120.607 -1.308 . . . . 25.0 111.267 177.304 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 54.6 tt0 -59.17 -48.7 80.63 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-O 122.26 1.029 . . . . 25.0 109.874 175.045 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 73.6 m80 -73.21 -27.14 61.45 Favored 'General case' 0 C--O 1.25 1.117 0 O-C-N 121.372 -0.83 . . . . 50.0 111.708 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 32.1 t80 -65.88 -36.45 83.45 Favored 'General case' 0 N--CA 1.45 -0.468 0 C-N-CA 119.776 -0.77 . . . . 25.0 110.023 176.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 55.5 mt-30 -64.63 -39.07 93.05 Favored 'General case' 0 N--CA 1.475 0.782 0 N-CA-C 110.104 -0.332 . . . . 25.0 110.104 176.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 47.8 tt0 -62.46 -46.71 87.25 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-O 121.213 0.53 . . . . 50.0 110.459 177.444 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 38.2 t80 -64.48 -38.23 90.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.023 -0.535 . . . . 50.0 110.933 -178.625 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.44 -0.942 0 O-C-N 121.986 -0.446 . . . . 50.0 111.75 178.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 58.9 mttp . . . . . 0 CA--C 1.536 0.413 0 N-CA-C 114.525 1.306 . . . . 25.0 114.525 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 9.6 mp0 -63.52 -27.68 69.43 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 112.943 0.72 . . . . 25.0 112.943 -178.698 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -65.53 -40.09 92.51 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-O 121.664 0.745 . . . . 50.0 109.993 176.608 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 55.3 mt -68.13 -39.89 82.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 108.748 -0.834 . . . . 50.0 108.748 -177.654 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 83.3 mtp -65.18 -37.39 87.22 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.808 -0.633 . . . . 50.0 110.571 177.197 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.34 -38.61 88.05 Favored 'General case' 0 N--CA 1.448 -0.564 0 C-N-CA 120.714 -0.394 . . . . 25.0 110.945 178.796 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.45 -44.63 93.95 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 109.921 -0.4 . . . . 25.0 109.921 178.684 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 68.8 mt -66.37 -33.76 76.43 Favored 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 112.202 0.445 . . . . 50.0 112.202 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -55.72 -41.71 74.24 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 122.482 0.313 . . . . 50.0 110.469 178.618 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 18.6 t -65.94 -34.57 78.42 Favored 'General case' 0 C--O 1.22 -0.462 0 CA-C-O 121.218 0.532 . . . . 25.0 111.009 -177.184 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 28.6 mm100 -75.6 -44.74 41.43 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 113.25 0.833 . . . . 50.0 113.25 -177.536 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 34.2 p -86.86 -1.07 57.51 Favored 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 114.545 1.313 . . . . 25.0 114.545 -173.808 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -43.64 -70.37 0.11 Allowed 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 115.331 1.604 . . . . 25.0 115.331 -171.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 5.6 p -74.92 -24.02 17.8 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 O-C-N 121.643 -0.661 . . . . 50.0 111.044 -177.387 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 60.1 tt0 -64.63 -50.07 68.55 Favored 'General case' 0 C--O 1.238 0.448 0 CA-C-O 121.182 0.515 . . . . 50.0 111.021 -178.273 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 13.5 m-30 -76.24 -22.09 55.58 Favored 'General case' 0 N--CA 1.465 0.288 0 C-N-CA 120.595 -0.442 . . . . 50.0 109.956 -178.509 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 26.4 tt0 -62.34 -38.4 89.33 Favored 'General case' 0 C--O 1.222 -0.383 0 O-C-N 122.047 -0.408 . . . . 50.0 111.512 177.22 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 69.3 mt-30 -65.15 -39.18 92.62 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-O 120.974 0.416 . . . . 50.0 110.283 177.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 45.3 t80 -65.18 -43.78 90.6 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.9 -0.778 . . . . 50.0 108.9 177.213 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.44 -37.98 89.41 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 120.466 -0.494 . . . . 25.0 110.032 -176.485 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.49 -26.15 67.04 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 116.625 -0.261 . . . . 25.0 111.563 178.775 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -74.2 -17.0 60.95 Favored 'General case' 0 C--O 1.218 -0.605 0 O-C-N 121.677 -0.64 . . . . 50.0 111.043 177.158 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 88.5 mm-40 -107.02 -47.23 3.74 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.783 0.66 . . . . 50.0 112.783 -175.58 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -121.05 68.67 17.43 Favored Pre-proline 0 C--O 1.243 0.728 0 CA-C-N 116.375 -0.375 . . . . 50.0 110.992 177.577 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -64.84 140.72 68.3 Favored 'Trans proline' 0 CA--C 1.533 0.468 0 C-N-CA 116.377 -1.949 . . . . 50.0 112.516 -177.301 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 82.28 -21.56 7.02 Favored Glycine 0 CA--C 1.507 -0.416 0 N-CA-C 115.55 0.98 . . . . 25.0 115.55 179.584 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 22.7 m120 -96.76 83.07 3.37 Favored 'General case' 0 C--O 1.219 -0.537 0 CA-C-N 117.667 0.733 . . . . 50.0 110.457 -177.625 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 39.7 t80 -53.02 -45.57 68.0 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 112.494 0.553 . . . . 50.0 112.494 -178.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -62.93 -45.43 92.51 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 120.241 -0.584 . . . . 50.0 110.592 -177.353 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 95.3 mm-40 -68.65 -34.6 75.99 Favored 'General case' 0 CA--C 1.504 -0.808 0 O-C-N 121.105 -0.997 . . . . 50.0 110.42 -177.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -58.0 -38.37 76.02 Favored 'General case' 0 N--CA 1.442 -0.841 0 CA-C-O 120.765 0.317 . . . . 50.0 110.163 173.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 94.8 mm-40 -72.83 -37.92 67.29 Favored 'General case' 0 N--CA 1.48 1.055 0 O-C-N 121.925 -0.484 . . . . 50.0 109.911 -177.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 80.1 mt -62.05 -42.76 96.19 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.198 0 N-CA-C 109.938 -0.393 . . . . 50.0 109.938 177.585 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 30.4 tp -64.44 -45.76 86.09 Favored 'General case' 0 C--O 1.216 -0.704 0 CA-C-N 116.839 -0.164 . . . . 50.0 110.749 176.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 63.1 mt -58.67 -38.6 72.56 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 N-CA-C 109.589 -0.523 . . . . 50.0 109.589 178.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.6 tmt_? -58.89 -44.41 91.15 Favored 'General case' 0 C--O 1.24 0.576 0 N-CA-C 109.178 -0.675 . . . . 50.0 109.178 177.766 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 59.5 tt0 -66.69 -40.67 88.62 Favored 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 111.898 0.332 . . . . 25.0 111.898 177.573 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 96.3 mt -62.78 -40.98 99.0 Favored 'General case' 0 C--O 1.212 -0.905 0 N-CA-C 109.812 -0.44 . . . . 50.0 109.812 -179.305 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -70.92 -33.28 70.37 Favored 'General case' 0 C--O 1.216 -0.701 0 CA-C-N 116.548 -0.296 . . . . 50.0 111.312 178.753 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -65.98 -42.28 90.07 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.527 0.679 . . . . 25.0 109.72 175.154 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 55.4 tt0 -67.29 -43.23 82.27 Favored 'General case' 0 C--N 1.316 -0.862 0 O-C-N 121.709 -0.619 . . . . 25.0 110.894 178.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 12.9 t-160 -62.65 -41.08 98.84 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 108.968 -0.752 . . . . 50.0 108.968 177.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 44.9 t80 -61.87 -33.08 73.55 Favored 'General case' 0 C--O 1.215 -0.726 0 O-C-N 121.944 -0.472 . . . . 25.0 111.656 179.133 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.92 -42.49 97.38 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.092 0.472 . . . . 25.0 109.969 177.09 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -64.76 -41.18 96.09 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-O 121.246 0.546 . . . . 50.0 109.61 176.231 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 21.1 t80 -62.16 -34.32 76.19 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.322 -0.399 . . . . 50.0 111.255 178.574 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.45 -0.439 0 O-C-N 122.177 -0.327 . . . . 50.0 111.09 176.581 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 23.0 ptmt . . . . . 0 N--CA 1.475 0.777 0 N-CA-C 115.492 1.664 . . . . 25.0 115.492 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 85.0 mt-30 -71.37 -26.92 63.0 Favored 'General case' 0 N--CA 1.486 1.33 0 O-C-N 121.199 -0.938 . . . . 25.0 112.901 -177.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -65.56 -37.21 86.02 Favored 'General case' 0 C--O 1.221 -0.419 0 CA-C-O 121.948 0.88 . . . . 50.0 108.91 176.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 54.6 mt -68.4 -42.91 84.36 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.004 0 CA-C-N 115.175 -0.921 . . . . 50.0 110.379 -179.786 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 75.7 mtp -60.17 -42.51 95.11 Favored 'General case' 0 C--O 1.215 -0.724 0 C-N-CA 120.558 -0.457 . . . . 50.0 111.164 176.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.07 -39.2 74.48 Favored 'General case' 0 CA--C 1.54 0.593 0 O-C-N 121.442 -0.786 . . . . 25.0 112.03 -178.507 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.08 -45.12 86.58 Favored 'General case' 0 C--N 1.312 -1.063 0 CA-C-O 121.94 0.876 . . . . 25.0 110.562 179.219 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 87.4 mt -65.99 -32.69 74.32 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.041 -0.527 . . . . 50.0 110.532 -178.601 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 78.3 m-20 -64.58 -36.17 83.38 Favored 'General case' 0 N--CA 1.435 -1.189 0 CA-C-O 120.884 0.373 . . . . 50.0 110.085 -178.6 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 19.6 m -65.18 -42.49 93.6 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.559 0.695 . . . . 25.0 111.542 177.398 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 27.8 mm100 -72.14 -37.9 69.32 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 114.033 1.123 . . . . 50.0 114.033 -177.136 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 41.6 p -90.91 2.14 56.44 Favored 'General case' 0 C--N 1.313 -1.011 0 N-CA-C 113.406 0.891 . . . . 25.0 113.406 -177.523 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -50.68 -69.38 0.11 Allowed 'General case' 0 CA--C 1.546 0.799 0 N-CA-C 113.439 0.904 . . . . 25.0 113.439 -173.249 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.9 p -72.74 -26.66 23.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 O-C-N 121.134 -0.979 . . . . 50.0 110.2 -177.008 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 44.2 tt0 -59.5 -45.56 91.34 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.264 0.555 . . . . 50.0 110.406 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 12.7 m-30 -84.01 -22.43 31.35 Favored 'General case' 0 C--O 1.246 0.869 0 CA-C-O 121.356 0.598 . . . . 50.0 111.679 -178.153 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 59.4 tt0 -61.99 -36.58 81.93 Favored 'General case' 0 C--O 1.217 -0.643 0 CA-C-N 116.078 -0.51 . . . . 50.0 110.57 -179.59 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 98.1 mm-40 -60.99 -43.04 99.42 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 120.741 -0.383 . . . . 50.0 110.658 179.089 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 67.9 t80 -69.53 -44.57 70.7 Favored 'General case' 0 C--O 1.242 0.69 0 CA-C-O 121.162 0.506 . . . . 50.0 111.129 177.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.52 -34.96 73.29 Favored 'General case' 0 C--O 1.226 -0.166 0 O-C-N 121.511 -0.743 . . . . 25.0 111.375 -179.501 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.47 -24.26 64.68 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.141 0.422 . . . . 25.0 112.141 -178.187 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -79.19 -27.73 42.61 Favored 'General case' 0 C--O 1.242 0.659 0 O-C-N 122.26 -0.275 . . . . 50.0 110.266 178.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 84.6 mm-40 -89.58 -46.74 8.44 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 122.834 0.454 . . . . 50.0 111.326 -174.594 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -120.23 69.95 15.26 Favored Pre-proline 0 CA--C 1.528 0.118 0 CA-C-O 120.894 0.378 . . . . 50.0 110.676 177.661 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_endo -69.88 140.32 41.95 Favored 'Trans proline' 0 C--N 1.35 0.614 0 C-N-CA 116.596 -1.803 . . . . 50.0 113.744 -179.136 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 83.32 -11.33 55.87 Favored Glycine 0 C--N 1.346 1.132 0 N-CA-C 116.422 1.329 . . . . 25.0 116.422 -178.159 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -114.47 87.03 2.55 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 118.587 1.194 . . . . 50.0 109.584 -174.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 72.8 t80 -52.75 -48.05 67.01 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 113.018 0.747 . . . . 50.0 113.018 179.596 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -58.84 -45.57 89.73 Favored 'General case' 0 C--O 1.216 -0.695 0 N-CA-C 112.9 0.704 . . . . 50.0 112.9 -179.007 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 96.7 mm-40 -68.66 -35.66 77.54 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.037 0.446 . . . . 50.0 110.758 -178.23 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -59.3 -36.8 76.27 Favored 'General case' 0 C--O 1.205 -1.279 0 C-N-CA 120.193 -0.603 . . . . 50.0 110.262 173.706 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 85.0 mm-40 -70.58 -41.43 72.37 Favored 'General case' 0 N--CA 1.47 0.572 0 O-C-N 121.529 -0.732 . . . . 50.0 110.518 -177.707 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 68.7 mt -62.39 -41.92 93.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 N-CA-C 108.849 -0.797 . . . . 50.0 108.849 178.65 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 25.7 tp -65.19 -48.08 74.68 Favored 'General case' 0 N--CA 1.452 -0.354 0 O-C-N 122.08 -0.387 . . . . 50.0 110.146 -178.58 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 66.1 mt -57.71 -37.61 60.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 O-C-N 122.038 -0.414 . . . . 50.0 110.951 178.101 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.14 -42.34 90.44 Favored 'General case' 0 C--O 1.21 -1.01 0 CA-C-O 121.208 0.528 . . . . 50.0 111.989 179.029 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -71.21 -36.44 71.89 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 120.457 -0.497 . . . . 25.0 111.214 178.554 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 66.9 mt -63.0 -39.43 94.73 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 120.87 -0.332 . . . . 50.0 110.402 176.159 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 -68.26 -35.07 77.33 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 123.322 0.649 . . . . 50.0 111.297 178.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -59.18 -44.3 92.19 Favored 'General case' 0 N--CA 1.464 0.267 0 C-N-CA 120.3 -0.56 . . . . 25.0 110.246 175.74 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -71.23 -37.36 72.03 Favored 'General case' 0 C--O 1.217 -0.653 0 CA-C-N 116.223 -0.444 . . . . 25.0 111.815 177.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 55.2 t60 -63.17 -29.68 70.98 Favored 'General case' 0 C--N 1.314 -0.973 0 N-CA-C 111.691 0.256 . . . . 50.0 111.691 176.683 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 85.8 t80 -61.67 -31.8 71.94 Favored 'General case' 0 C--N 1.318 -0.767 0 O-C-N 122.067 -0.396 . . . . 25.0 110.59 177.167 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 -67.14 -41.52 85.96 Favored 'General case' 0 C--O 1.211 -0.925 0 C-N-CA 120.981 -0.287 . . . . 25.0 110.89 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 18.5 tt0 -62.16 -38.99 91.14 Favored 'General case' 0 CA--C 1.518 -0.262 0 O-C-N 121.703 -0.623 . . . . 50.0 110.74 179.078 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 28.2 t80 -63.77 -43.72 95.55 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.929 -0.578 . . . . 50.0 110.953 179.364 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 36.2 mmt . . . . . 0 CA--C 1.514 -0.441 0 O-C-N 121.572 -0.705 . . . . 50.0 111.625 178.739 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 55.4 mtpt . . . . . 0 N--CA 1.451 -0.416 0 CA-C-O 121.632 0.729 . . . . 25.0 110.569 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 18.3 pt20 -66.77 -23.62 66.1 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 113.012 0.745 . . . . 25.0 113.012 -179.049 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -71.67 -36.66 70.72 Favored 'General case' 0 C--O 1.218 -0.565 0 O-C-N 120.761 -1.212 . . . . 50.0 110.141 175.482 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 47.9 mt -67.57 -39.6 82.67 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.36 0 N-CA-C 108.44 -0.948 . . . . 50.0 108.44 178.355 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 77.5 mtp -63.46 -42.24 98.61 Favored 'General case' 0 C--O 1.206 -1.217 0 CA-C-N 115.917 -0.583 . . . . 50.0 112.31 177.214 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.36 -40.93 92.54 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-O 121.916 0.865 . . . . 25.0 110.637 -179.678 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.26 -47.09 71.75 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.248 -0.887 . . . . 25.0 110.393 -179.306 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 79.0 mt -64.06 -39.87 95.01 Favored 'General case' 0 C--O 1.242 0.66 0 O-C-N 121.101 -0.999 . . . . 50.0 111.51 -179.917 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 50.0 m-20 -64.13 -30.05 71.14 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.197 -0.456 . . . . 50.0 110.92 179.708 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 49.3 m -62.74 -36.2 82.27 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-O 120.7 0.286 . . . . 25.0 110.984 179.016 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -75.6 -27.07 58.35 Favored 'General case' 0 C--O 1.241 0.658 0 N-CA-C 113.458 0.91 . . . . 50.0 113.458 179.824 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 59.7 p -105.95 -5.22 19.79 Favored 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 114.809 1.411 . . . . 25.0 114.809 -170.462 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -48.97 -69.75 0.11 Allowed 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 114.091 1.145 . . . . 25.0 114.091 -175.065 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.5 p -68.89 -26.98 33.88 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-O 121.72 0.771 . . . . 50.0 110.258 -177.723 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 50.0 tt0 -64.5 -50.27 68.06 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.266 0.555 . . . . 50.0 111.647 -177.91 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 18.7 m-30 -75.27 -21.72 58.33 Favored 'General case' 0 C--N 1.315 -0.919 0 C-N-CA 119.185 -1.006 . . . . 50.0 110.882 -178.719 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 45.5 tt0 -60.92 -36.31 78.97 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 122.597 0.359 . . . . 50.0 111.202 179.593 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -70.58 -38.77 74.11 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 120.948 -0.301 . . . . 50.0 111.232 179.431 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 56.1 t80 -69.57 -36.75 76.58 Favored 'General case' 0 C--O 1.22 -0.466 0 N-CA-C 109.918 -0.401 . . . . 50.0 109.918 176.02 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.95 -42.45 97.3 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.884 -0.413 . . . . 25.0 109.884 178.753 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.51 -29.43 70.47 Favored 'General case' 0 C--O 1.205 -1.25 0 C-N-CA 120.208 -0.597 . . . . 25.0 111.278 179.231 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 37.4 tt0 -69.71 -30.79 68.5 Favored 'General case' 0 C--O 1.21 -1.026 0 CA-C-O 121.102 0.477 . . . . 50.0 109.986 178.025 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 5.5 mm-40 -89.64 -46.84 8.35 Favored 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 113.795 1.035 . . . . 50.0 113.795 -175.515 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -123.09 70.72 42.04 Favored Pre-proline 0 C--O 1.238 0.497 0 O-C-N 123.634 0.584 . . . . 50.0 110.321 179.527 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_endo -67.07 135.15 36.47 Favored 'Trans proline' 0 CA--C 1.539 0.735 0 C-N-CA 117.969 -0.888 . . . . 50.0 112.469 -172.95 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 81.99 -14.62 31.42 Favored Glycine 0 CA--C 1.536 1.361 0 CA-C-N 115.91 -0.586 . . . . 25.0 114.415 179.646 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -100.48 85.75 3.02 Favored 'General case' 0 C--O 1.217 -0.628 0 CA-C-N 117.828 0.814 . . . . 50.0 110.892 -176.662 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 60.1 t80 -52.23 -48.14 65.3 Favored 'General case' 0 CA--C 1.507 -0.706 0 N-CA-C 112.737 0.643 . . . . 50.0 112.737 -179.16 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -61.95 -46.08 90.88 Favored 'General case' 0 N--CA 1.478 0.933 0 N-CA-C 111.823 0.305 . . . . 50.0 111.823 -179.004 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 26.8 mm100 -65.59 -35.7 81.59 Favored 'General case' 0 C--N 1.318 -0.768 0 O-C-N 121.418 -0.801 . . . . 50.0 110.29 -179.638 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 70.8 mt-30 -61.79 -37.02 82.81 Favored 'General case' 0 N--CA 1.439 -1.018 0 C-N-CA 120.061 -0.656 . . . . 50.0 110.892 176.65 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 98.2 mm-40 -72.32 -36.66 68.92 Favored 'General case' 0 C--O 1.243 0.759 0 CA-C-O 120.977 0.418 . . . . 50.0 110.854 -178.384 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 56.4 mt -62.98 -42.43 96.61 Favored 'Isoleucine or valine' 0 C--O 1.258 1.528 0 O-C-N 122.0 -0.437 . . . . 50.0 110.986 175.688 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 42.5 tp -64.19 -47.65 78.97 Favored 'General case' 0 C--O 1.212 -0.896 0 C-N-CA 119.812 -0.755 . . . . 50.0 110.638 -179.687 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 63.9 mt -56.97 -42.4 78.85 Favored 'Isoleucine or valine' 0 C--O 1.249 1.044 0 O-C-N 121.925 -0.484 . . . . 50.0 110.716 179.037 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.82 -37.64 79.74 Favored 'General case' 0 C--O 1.24 0.589 0 O-C-N 122.036 -0.415 . . . . 50.0 112.086 179.025 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 12.4 tm0? -71.62 -43.89 65.38 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 117.751 0.251 . . . . 25.0 110.343 177.897 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 84.9 mt -59.58 -43.7 93.55 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-O 121.828 0.823 . . . . 50.0 110.899 -177.178 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -63.8 -35.36 80.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.94 -0.573 . . . . 50.0 110.197 -176.918 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -70.93 -36.38 72.61 Favored 'General case' 0 C--N 1.321 -0.668 0 O-C-N 122.025 -0.422 . . . . 25.0 111.919 179.196 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 45.4 tt0 -69.26 -41.31 77.06 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-O 121.27 0.557 . . . . 25.0 110.999 176.223 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 68.8 m-70 -66.79 -28.12 68.13 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 122.29 1.043 . . . . 50.0 111.16 178.688 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 69.2 t80 -61.88 -33.58 74.46 Favored 'General case' 0 CA--C 1.544 0.744 0 O-C-N 121.651 -0.656 . . . . 25.0 111.046 176.71 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 73.0 mt-30 -63.86 -39.84 95.16 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.58 0.705 . . . . 25.0 111.235 -179.969 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 46.0 tt0 -62.38 -41.65 98.81 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 121.773 -0.579 . . . . 50.0 109.636 -179.261 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 35.7 t80 -64.84 -42.73 94.7 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 116.085 -0.507 . . . . 50.0 111.12 179.507 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.284 0 CA-C-O 121.529 0.681 . . . . 50.0 111.725 178.846 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 55.5 pttt . . . . . 0 C--O 1.221 -0.418 0 N-CA-C 110.06 -0.348 . . . . 25.0 110.06 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -72.62 -23.94 61.0 Favored 'General case' 0 C--O 1.211 -0.921 0 N-CA-C 113.868 1.062 . . . . 25.0 113.868 -177.188 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 13.7 mm-40 -59.7 -43.07 94.25 Favored 'General case' 0 C--O 1.211 -0.969 0 CA-C-O 121.992 0.901 . . . . 50.0 109.246 174.204 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 81.1 mt -69.23 -38.88 78.46 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.024 0 N-CA-C 108.522 -0.918 . . . . 50.0 108.522 -177.304 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 78.8 mtp -61.99 -42.16 98.84 Favored 'General case' 0 C--O 1.207 -1.175 0 N-CA-C 109.434 -0.58 . . . . 50.0 109.434 179.454 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.49 -39.71 94.35 Favored 'General case' 0 CA--C 1.55 0.961 0 CA-C-N 118.175 0.443 . . . . 25.0 110.204 179.803 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.47 -46.3 86.8 Favored 'General case' 0 N--CA 1.477 0.909 0 CA-C-O 121.375 0.607 . . . . 25.0 110.956 178.72 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 89.6 mt -65.03 -35.99 82.93 Favored 'General case' 0 CA--C 1.498 -1.03 0 CA-C-N 116.062 -0.517 . . . . 50.0 112.02 177.99 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 82.1 m-20 -64.92 -39.87 94.19 Favored 'General case' 0 C--O 1.212 -0.906 0 C-N-CA 120.638 -0.425 . . . . 50.0 110.254 -178.359 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 32.1 t -71.71 -42.76 66.98 Favored 'General case' 0 C--O 1.241 0.645 0 C-N-CA 120.8 -0.36 . . . . 25.0 111.392 177.763 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -61.06 -41.36 96.48 Favored 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 113.472 0.916 . . . . 50.0 113.472 -179.333 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 71.6 p -99.36 -4.91 30.56 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 115.077 1.51 . . . . 25.0 115.077 -171.551 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -45.33 -65.18 0.57 Allowed 'General case' 0 CA--C 1.532 0.259 0 N-CA-C 114.093 1.146 . . . . 25.0 114.093 -173.032 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 8.4 p -72.16 -28.25 28.93 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 C-N-CA 120.742 -0.383 . . . . 50.0 110.952 -172.976 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 6.2 mp0 -63.42 -45.5 90.66 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-O 121.18 0.514 . . . . 50.0 111.722 177.997 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 19.6 m-30 -79.61 -23.59 42.56 Favored 'General case' 0 N--CA 1.445 -0.689 0 O-C-N 121.575 -0.703 . . . . 50.0 111.445 -177.832 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 37.2 tt0 -60.5 -38.97 86.07 Favored 'General case' 0 C--O 1.213 -0.855 0 N-CA-C 112.344 0.498 . . . . 50.0 112.344 178.161 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -62.77 -42.91 99.91 Favored 'General case' 0 C--N 1.32 -0.691 0 C-N-CA 120.289 -0.564 . . . . 50.0 110.536 -179.366 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 33.9 t80 -67.98 -42.56 80.63 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 115.566 -0.743 . . . . 50.0 110.999 176.925 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.25 -35.39 77.14 Favored 'General case' 0 C--O 1.215 -0.714 0 CA-C-O 121.478 0.656 . . . . 25.0 110.137 -178.547 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.62 -25.01 66.39 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.661 0.743 . . . . 25.0 112.422 179.444 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -79.24 -26.48 42.47 Favored 'General case' 0 C--O 1.212 -0.892 0 O-C-N 121.723 -0.61 . . . . 50.0 110.597 177.281 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 30.5 mm-40 -86.31 -46.32 10.42 Favored 'General case' 0 N--CA 1.469 0.525 0 N-CA-C 113.527 0.936 . . . . 50.0 113.527 178.47 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 29.6 m-85 -124.06 73.12 56.31 Favored Pre-proline 0 C--O 1.245 0.817 0 CA-C-N 116.022 -0.535 . . . . 50.0 109.619 179.698 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -71.78 138.67 32.16 Favored 'Trans proline' 0 C--N 1.356 0.951 0 C-N-CA 117.307 -1.328 . . . . 50.0 114.388 -176.232 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.98 -12.0 19.5 Favored Glycine 0 N--CA 1.45 -0.394 0 N-CA-C 115.826 1.091 . . . . 25.0 115.826 -176.669 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 21.6 m120 -105.22 87.82 2.72 Favored 'General case' 0 N--CA 1.482 1.15 0 CA-C-O 121.424 0.63 . . . . 50.0 111.781 -176.788 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 81.7 t80 -56.87 -44.19 81.97 Favored 'General case' 0 N--CA 1.477 0.91 0 N-CA-C 112.678 0.621 . . . . 50.0 112.678 -179.873 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -60.54 -46.33 90.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.286 -0.416 . . . . 50.0 110.064 -179.218 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 94.7 mm-40 -70.31 -35.56 73.74 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 118.762 0.71 . . . . 50.0 111.254 -177.068 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 61.2 mt-30 -57.23 -38.0 73.13 Favored 'General case' 0 N--CA 1.479 0.989 0 CA-C-N 116.01 -0.541 . . . . 50.0 110.35 175.187 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 93.2 mm-40 -71.49 -39.66 70.72 Favored 'General case' 0 N--CA 1.441 -0.884 0 C-N-CA 120.373 -0.531 . . . . 50.0 111.902 -179.869 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 76.9 mt -63.43 -34.13 65.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 N-CA-C 107.791 -1.188 . . . . 50.0 107.791 -178.011 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 29.3 tp -71.31 -47.03 59.22 Favored 'General case' 0 C--O 1.221 -0.397 0 N-CA-C 113.195 0.813 . . . . 50.0 113.195 176.383 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 43.2 mt -57.28 -41.73 78.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 N-CA-C 109.587 -0.523 . . . . 50.0 109.587 178.589 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 60.6 ttp180 -59.55 -42.81 93.24 Favored 'General case' 0 C--O 1.21 -1.022 0 N-CA-C 112.066 0.395 . . . . 50.0 112.066 178.341 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -62.32 -42.6 99.51 Favored 'General case' 0 C--O 1.22 -0.456 0 O-C-N 123.343 0.402 . . . . 25.0 111.82 176.444 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 71.0 mt -64.48 -38.7 91.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 121.588 -0.695 . . . . 50.0 111.499 179.215 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -70.43 -37.29 74.38 Favored 'General case' 0 C--N 1.32 -0.713 0 O-C-N 122.075 -0.391 . . . . 50.0 111.34 -178.271 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -66.23 -37.7 86.15 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-N 115.576 -0.738 . . . . 25.0 109.428 175.974 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -66.14 -44.98 82.6 Favored 'General case' 0 C--O 1.243 0.731 0 O-C-N 121.938 -0.476 . . . . 25.0 110.146 176.496 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 73.3 t60 -63.91 -24.66 67.82 Favored 'General case' 0 C--O 1.224 -0.269 0 C-N-CA 122.457 0.303 . . . . 50.0 111.419 -178.764 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 28.0 t80 -59.23 -35.5 73.75 Favored 'General case' 0 N--CA 1.48 1.048 0 O-C-N 122.065 -0.397 . . . . 25.0 110.721 176.64 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 81.2 mt-30 -63.01 -46.03 89.58 Favored 'General case' 0 CA--C 1.547 0.838 0 CA-C-O 121.733 0.778 . . . . 25.0 110.956 177.868 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 44.3 tt0 -69.14 -41.79 76.83 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 115.658 -0.701 . . . . 50.0 110.564 -178.414 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 46.6 t80 -61.61 -35.68 78.56 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.021 0.438 . . . . 50.0 110.561 -179.041 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.508 -0.663 0 C-N-CA 120.169 -0.613 . . . . 50.0 112.184 177.567 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.6 mppt? . . . . . 0 N--CA 1.48 1.043 0 N-CA-C 112.551 0.575 . . . . 25.0 112.551 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 53.7 mt-30 -70.83 -24.8 62.61 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 121.612 -0.68 . . . . 25.0 111.918 179.713 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 82.4 mm-40 -61.91 -39.84 93.38 Favored 'General case' 0 C--O 1.209 -1.073 0 N-CA-C 107.086 -1.45 . . . . 50.0 107.086 178.368 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 30.5 mt -66.59 -43.1 90.73 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.838 0 CA-C-O 121.242 0.544 . . . . 50.0 110.488 179.547 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 87.5 mtp -61.67 -39.38 91.21 Favored 'General case' 0 C--O 1.216 -0.677 0 CA-C-N 116.135 -0.484 . . . . 50.0 110.491 -178.298 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.81 -36.57 83.88 Favored 'General case' 0 CA--C 1.553 1.068 0 N-CA-C 112.51 0.559 . . . . 25.0 112.51 178.644 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.49 -46.07 87.83 Favored 'General case' 0 C--O 1.248 0.977 0 N-CA-C 108.576 -0.898 . . . . 25.0 108.576 177.263 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 90.8 mt -64.89 -38.05 89.67 Favored 'General case' 0 C--O 1.209 -1.062 0 N-CA-C 112.614 0.598 . . . . 50.0 112.614 177.542 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -65.55 -35.4 80.75 Favored 'General case' 0 C--N 1.316 -0.872 0 N-CA-C 109.135 -0.691 . . . . 50.0 109.135 -178.54 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 27.1 m -66.48 -38.34 87.07 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.919 -0.582 . . . . 25.0 111.097 176.38 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 82.1 mm-40 -74.7 -16.27 60.76 Favored 'General case' 0 N--CA 1.475 0.786 0 N-CA-C 113.199 0.815 . . . . 50.0 113.199 -179.619 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 52.1 p -124.22 0.79 8.44 Favored 'General case' 0 N--CA 1.478 0.931 0 N-CA-C 113.816 1.043 . . . . 25.0 113.816 -174.945 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -49.16 -51.93 29.5 Favored 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 112.981 0.734 . . . . 25.0 112.981 -172.579 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.9 p -79.54 -32.19 14.47 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.626 0 N-CA-C 112.629 0.603 . . . . 50.0 112.629 -177.723 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 6.5 mp0 -64.62 -42.6 95.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 121.623 -0.673 . . . . 50.0 110.265 178.606 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 15.5 m-30 -73.6 -27.6 61.38 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.964 -0.562 . . . . 50.0 112.262 179.55 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 7.4 tm0? -67.51 -45.45 75.76 Favored 'General case' 0 C--O 1.216 -0.659 0 O-C-N 121.821 -0.549 . . . . 50.0 111.128 172.86 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -62.2 -38.93 91.03 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 118.882 0.765 . . . . 50.0 110.79 177.183 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 61.4 t80 -64.54 -44.71 89.96 Favored 'General case' 0 C--O 1.215 -0.754 0 O-C-N 123.553 0.533 . . . . 50.0 112.416 178.337 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.66 -32.27 73.74 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-O 122.276 1.036 . . . . 25.0 110.541 179.639 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.78 -28.57 67.72 Favored 'General case' 0 N--CA 1.443 -0.784 0 O-C-N 121.431 -0.793 . . . . 25.0 109.216 -179.523 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 19.2 tt0 -77.2 -18.66 57.58 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.101 -0.954 . . . . 50.0 112.81 -179.583 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 87.0 mm-40 -97.93 -45.48 6.27 Favored 'General case' 0 CA--C 1.514 -0.404 0 CA-C-N 115.575 -0.738 . . . . 50.0 111.535 -178.397 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 25.6 m-85 -124.69 68.37 52.6 Favored Pre-proline 0 C--N 1.326 -0.435 0 C-N-CA 122.869 0.467 . . . . 50.0 110.928 178.849 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_endo -65.63 138.71 55.23 Favored 'Trans proline' 0 C--N 1.356 0.97 0 C-N-CA 116.693 -1.738 . . . . 50.0 113.841 -176.374 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 86.84 -30.13 4.76 Favored Glycine 0 CA--C 1.529 0.913 0 O-C-N 125.148 1.53 . . . . 25.0 114.267 -177.129 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -94.88 84.35 4.16 Favored 'General case' 0 C--O 1.216 -0.66 0 CA-C-N 119.294 1.547 . . . . 50.0 111.161 -174.062 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 59.8 t80 -54.16 -42.0 69.1 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-O 121.177 0.513 . . . . 50.0 112.254 178.597 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -61.15 -43.78 98.34 Favored 'General case' 0 C--O 1.217 -0.643 0 O-C-N 120.745 -1.222 . . . . 50.0 111.493 -179.178 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 98.2 mm-40 -72.14 -32.22 66.71 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-O 121.002 0.429 . . . . 50.0 110.872 -179.887 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 70.8 mt-30 -61.72 -34.91 76.64 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 115.926 -0.579 . . . . 50.0 110.132 175.263 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 93.2 mm-40 -76.13 -36.51 58.79 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 121.037 -0.265 . . . . 50.0 110.869 -178.621 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 84.3 mt -63.03 -42.25 95.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 N-CA-C 109.166 -0.679 . . . . 50.0 109.166 176.588 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 42.2 tp -65.77 -46.57 78.26 Favored 'General case' 0 C--N 1.319 -0.742 0 C-N-CA 120.521 -0.471 . . . . 50.0 110.553 -176.685 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 72.0 mt -61.39 -36.57 73.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 N-CA-C 109.947 -0.39 . . . . 50.0 109.947 -179.159 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.5 tmt_? -56.07 -42.47 76.72 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 120.782 -0.367 . . . . 50.0 110.949 175.616 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -69.77 -43.34 72.37 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 120.927 -0.309 . . . . 25.0 110.958 178.275 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 85.9 mt -61.63 -41.34 97.35 Favored 'General case' 0 C--N 1.318 -0.784 0 O-C-N 122.216 -0.303 . . . . 50.0 111.468 -176.687 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -64.63 -38.25 90.37 Favored 'General case' 0 C--O 1.244 0.785 0 CA-C-O 121.358 0.599 . . . . 50.0 112.301 -178.437 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -74.43 -45.81 44.04 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-O 121.06 0.457 . . . . 25.0 110.819 -179.038 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 -62.68 -37.19 85.45 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 122.812 0.445 . . . . 25.0 112.0 -179.287 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 72.4 t60 -65.26 -37.36 86.95 Favored 'General case' 0 C--O 1.213 -0.821 0 CA-C-O 120.974 0.416 . . . . 50.0 109.917 177.105 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 52.3 t80 -63.46 -31.12 72.18 Favored 'General case' 0 C--O 1.218 -0.604 0 C-N-CA 120.036 -0.666 . . . . 25.0 111.241 177.839 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 88.9 mm-40 -66.52 -40.07 88.97 Favored 'General case' 0 C--O 1.238 0.46 0 N-CA-C 109.886 -0.413 . . . . 25.0 109.886 177.537 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -64.8 -46.92 80.01 Favored 'General case' 0 CA--C 1.51 -0.577 0 CA-C-O 121.447 0.641 . . . . 50.0 110.056 177.23 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 51.2 t80 -59.26 -38.5 80.24 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.996 -0.547 . . . . 50.0 110.673 -179.373 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.537 0.45 0 O-C-N 121.989 -0.444 . . . . 50.0 111.971 178.573 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 67.5 mttm . . . . . 0 N--CA 1.474 0.771 0 N-CA-C 114.845 1.424 . . . . 25.0 114.845 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -66.64 -22.66 66.1 Favored 'General case' 0 C--O 1.206 -1.21 0 C-N-CA 123.357 0.663 . . . . 25.0 110.429 173.237 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 35.5 mm-40 -58.53 -39.76 81.05 Favored 'General case' 0 C--O 1.217 -0.646 0 CA-C-O 122.618 1.199 . . . . 50.0 109.665 173.372 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 42.3 mt -73.36 -36.01 47.73 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.638 0 N-CA-C 107.128 -1.434 . . . . 50.0 107.128 -177.765 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 74.1 mtp -64.6 -42.94 95.22 Favored 'General case' 0 C--O 1.21 -0.992 0 O-C-N 121.025 -1.047 . . . . 50.0 111.969 177.924 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.97 -43.38 91.36 Favored 'General case' 0 N--CA 1.44 -0.955 0 O-C-N 122.022 -0.424 . . . . 25.0 110.442 177.406 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.03 -46.85 85.62 Favored 'General case' 0 CA--C 1.549 0.913 0 CA-C-O 121.037 0.446 . . . . 25.0 110.09 179.831 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 89.8 mt -67.19 -37.08 83.07 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-O 120.976 0.417 . . . . 50.0 111.095 -178.055 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 74.3 m-20 -65.79 -39.13 90.65 Favored 'General case' 0 C--O 1.216 -0.668 0 CA-C-N 116.505 -0.316 . . . . 50.0 110.184 -179.551 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 44.3 t -61.68 -45.5 93.72 Favored 'General case' 0 C--O 1.24 0.564 0 CA-C-O 121.602 0.715 . . . . 25.0 110.788 177.007 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 17.5 mm-40 -65.47 -24.34 67.14 Favored 'General case' 0 N--CA 1.474 0.769 0 N-CA-C 113.341 0.867 . . . . 50.0 113.341 -178.23 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 56.1 p -115.29 5.97 14.82 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 113.264 0.839 . . . . 25.0 113.264 -175.183 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -49.02 -66.97 0.31 Allowed 'General case' 0 N--CA 1.478 0.974 0 N-CA-C 113.781 1.03 . . . . 25.0 113.781 -174.586 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 8.8 p -70.09 -27.94 34.28 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 CA-C-O 121.241 0.544 . . . . 50.0 110.279 -178.131 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.1 tm0? -62.53 -49.72 74.2 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.222 -0.444 . . . . 50.0 111.647 -178.151 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 20.7 m-30 -81.63 -20.55 39.45 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.327 -0.397 . . . . 50.0 110.417 178.088 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 57.4 tt0 -59.93 -41.0 90.8 Favored 'General case' 0 C--O 1.218 -0.577 0 C-N-CA 120.276 -0.57 . . . . 50.0 112.368 176.432 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 90.7 mm-40 -69.97 -34.13 72.99 Favored 'General case' 0 C--O 1.216 -0.679 0 CA-C-N 118.373 0.533 . . . . 50.0 111.288 179.74 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 78.7 t80 -67.61 -40.02 84.74 Favored 'General case' 0 C--N 1.318 -0.788 0 O-C-N 121.849 -0.532 . . . . 50.0 110.195 176.175 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.401 ' HA ' HD22 ' A' ' 37' ' ' LEU . . . -62.98 -37.77 88.48 Favored 'General case' 0 CA--C 1.547 0.832 0 CA-C-O 121.594 0.712 . . . . 25.0 109.34 178.729 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.85 -26.91 67.87 Favored 'General case' 0 C--N 1.321 -0.637 0 O-C-N 121.699 -0.626 . . . . 25.0 111.071 178.402 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -83.14 -9.99 58.89 Favored 'General case' 0 N--CA 1.48 1.066 0 N-CA-C 112.497 0.555 . . . . 50.0 112.497 -179.855 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 9.4 mm-40 -103.29 -48.44 4.01 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 115.311 -0.859 . . . . 50.0 110.33 178.002 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -121.18 66.46 15.82 Favored Pre-proline 0 C--O 1.259 1.602 0 CA-C-O 121.744 0.783 . . . . 50.0 111.009 -178.807 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -68.95 138.58 40.81 Favored 'Trans proline' 0 C--O 1.219 -0.456 0 C-N-CA 116.056 -2.163 . . . . 50.0 111.343 -179.941 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 89.67 -7.73 81.26 Favored Glycine 0 CA--C 1.521 0.42 0 N-CA-C 114.64 0.616 . . . . 25.0 114.64 -179.947 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 19.6 m120 -120.41 82.7 1.94 Allowed 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 118.092 0.946 . . . . 50.0 111.609 -178.331 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 50.5 t80 -51.09 -45.74 61.59 Favored 'General case' 0 N--CA 1.471 0.575 0 N-CA-C 112.742 0.645 . . . . 50.0 112.742 179.538 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -65.18 -43.62 91.07 Favored 'General case' 0 C--N 1.328 -0.35 0 O-C-N 121.874 -0.516 . . . . 50.0 111.996 -176.97 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 88.1 mm-40 -67.88 -33.99 75.8 Favored 'General case' 0 C--O 1.22 -0.5 0 O-C-N 121.482 -0.761 . . . . 50.0 111.329 178.893 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 69.5 mt-30 -58.7 -37.67 76.59 Favored 'General case' 0 C--O 1.22 -0.458 0 CA-C-N 115.767 -0.651 . . . . 50.0 110.739 173.841 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -74.17 -36.73 64.08 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.847 0.832 . . . . 50.0 109.784 -177.304 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 95.5 mt -63.34 -41.39 92.58 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.591 0 CA-C-N 116.157 -0.474 . . . . 50.0 110.007 177.1 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.401 HD22 ' HA ' ' A' ' 23' ' ' ALA . 43.2 tp -60.41 -46.9 88.34 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.997 -0.281 . . . . 50.0 110.305 179.994 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 73.8 mt -59.38 -40.69 82.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 N-CA-C 113.607 0.965 . . . . 50.0 113.607 176.118 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 52.7 ttp180 -55.61 -40.43 72.06 Favored 'General case' 0 C--O 1.217 -0.614 0 CA-C-N 116.173 -0.467 . . . . 50.0 109.969 177.202 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 19.6 mm100 -77.81 -34.84 51.9 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 113.116 0.784 . . . . 25.0 113.116 178.716 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 85.9 mt -64.48 -42.42 95.89 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 120.606 -0.438 . . . . 50.0 110.823 179.725 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 -68.0 -28.68 67.63 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 121.048 -0.261 . . . . 50.0 110.754 -175.268 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -63.11 -43.72 97.66 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.176 -0.466 . . . . 25.0 110.56 175.618 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 44.6 tt0 -75.9 -35.49 59.8 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-O 121.294 0.569 . . . . 25.0 110.452 -177.579 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 64.2 m80 -70.23 -22.3 62.92 Favored 'General case' 0 N--CA 1.486 1.362 0 O-C-N 120.673 -1.267 . . . . 50.0 110.822 178.709 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 48.1 t80 -63.18 -34.84 78.51 Favored 'General case' 0 CA--C 1.514 -0.411 0 O-C-N 121.322 -0.861 . . . . 25.0 109.965 176.671 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -64.97 -42.68 94.35 Favored 'General case' 0 CA--C 1.506 -0.714 0 CA-C-N 115.176 -0.92 . . . . 25.0 110.593 178.655 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 39.2 tt0 -62.05 -41.51 98.21 Favored 'General case' 0 C--O 1.242 0.699 0 CA-C-O 122.322 1.058 . . . . 50.0 110.194 179.377 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 45.7 t80 -65.3 -39.62 92.74 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.617 -0.719 . . . . 50.0 110.024 179.405 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.474 0.725 0 CA-C-N 115.895 -0.593 . . . . 50.0 109.681 177.163 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 38.7 ttmt . . . . . 0 C--O 1.218 -0.59 0 N-CA-C 114.221 1.193 . . . . 25.0 114.221 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 80.7 mt-30 -67.93 -31.84 71.87 Favored 'General case' 0 C--N 1.316 -0.883 0 O-C-N 120.772 -1.205 . . . . 25.0 109.814 -174.151 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 83.2 mt-30 -71.48 -37.19 71.33 Favored 'General case' 0 C--O 1.199 -1.567 0 C-N-CA 120.444 -0.502 . . . . 50.0 111.733 178.545 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 30.3 mt -67.56 -40.69 84.76 Favored 'Isoleucine or valine' 0 C--O 1.262 1.717 0 N-CA-C 108.952 -0.759 . . . . 50.0 108.952 178.078 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.8 mmt -67.36 -36.49 81.49 Favored 'General case' 0 C--N 1.309 -1.162 0 O-C-N 124.183 0.927 . . . . 50.0 111.585 -178.795 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.48 -41.14 84.61 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-O 122.498 1.142 . . . . 25.0 108.847 177.455 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.96 -50.16 51.58 Favored 'General case' 0 N--CA 1.469 0.478 0 O-C-N 121.564 -0.71 . . . . 25.0 111.117 -178.973 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 87.8 mt -62.27 -33.65 75.03 Favored 'General case' 0 C--O 1.202 -1.409 0 CA-C-O 120.707 0.289 . . . . 50.0 110.459 178.18 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 8.2 m120 -69.43 -33.2 72.61 Favored 'General case' 0 N--CA 1.485 1.293 0 O-C-N 120.397 -1.439 . . . . 50.0 108.542 -179.636 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 73.3 m -68.83 -44.04 74.29 Favored 'General case' 0 N--CA 1.491 1.587 0 N-CA-C 108.059 -1.089 . . . . 25.0 108.059 -178.599 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 93.2 mm-40 -70.59 -17.49 62.9 Favored 'General case' 0 C--N 1.315 -0.928 0 N-CA-C 113.938 1.088 . . . . 50.0 113.938 -177.434 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 75.7 p -121.7 -1.67 9.46 Favored 'General case' 0 C--O 1.244 0.78 0 N-CA-C 116.771 2.138 . . . . 25.0 116.771 -175.556 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.72 -63.71 1.06 Allowed 'General case' 0 N--CA 1.491 1.603 0 N-CA-C 115.049 1.499 . . . . 25.0 115.049 -175.259 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.6 p -73.62 -25.07 20.46 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.027 0 O-C-N 121.229 -0.919 . . . . 50.0 110.162 -177.937 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 15.3 tt0 -67.57 -40.01 84.91 Favored 'General case' 0 C--N 1.313 -0.994 0 O-C-N 120.322 -1.486 . . . . 50.0 109.354 -177.197 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 17.8 m-30 -84.64 -20.32 31.52 Favored 'General case' 0 C--N 1.309 -1.19 0 CA-C-N 116.022 -0.535 . . . . 50.0 110.303 -179.021 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 28.6 tt0 -66.24 -41.42 90.04 Favored 'General case' 0 C--N 1.29 -1.988 0 N-CA-C 109.013 -0.736 . . . . 50.0 109.013 179.85 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 54.3 mt-30 -63.68 -37.49 87.53 Favored 'General case' 0 C--O 1.207 -1.151 0 N-CA-C 108.05 -1.093 . . . . 50.0 108.05 -177.33 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 79.9 t80 -68.56 -43.02 77.5 Favored 'General case' 0 CA--C 1.517 -0.294 0 N-CA-C 112.512 0.56 . . . . 50.0 112.512 176.773 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.52 -36.7 85.06 Favored 'General case' 0 C--O 1.248 1.017 0 N-CA-C 108.917 -0.772 . . . . 25.0 108.917 -179.653 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.35 -23.64 65.63 Favored 'General case' 0 C--N 1.319 -0.744 0 C-N-CA 118.732 -1.187 . . . . 25.0 112.813 176.471 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 19.6 tt0 -82.14 -27.12 32.94 Favored 'General case' 0 CA--C 1.557 1.221 0 N-CA-C 108.399 -0.963 . . . . 50.0 108.399 -178.555 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 74.0 mm-40 -84.99 -50.14 7.72 Favored 'General case' 0 N--CA 1.499 2.023 0 N-CA-C 113.618 0.97 . . . . 50.0 113.618 178.893 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 25.5 m-85 -119.45 69.47 11.45 Favored Pre-proline 0 N--CA 1.477 0.89 0 N-CA-C 107.676 -1.231 . . . . 50.0 107.676 -179.961 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -69.37 140.16 43.42 Favored 'Trans proline' 0 C--O 1.209 -0.927 0 C-N-CA 116.905 -1.597 . . . . 50.0 110.62 -171.026 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 81.1 -25.11 3.7 Favored Glycine 0 N--CA 1.44 -1.058 0 CA-C-O 117.136 -1.925 . . . . 25.0 116.863 -174.796 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -96.57 83.89 3.57 Favored 'General case' 0 C--O 1.24 0.555 0 CA-C-N 120.527 2.164 . . . . 50.0 112.381 -172.98 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 21.4 t80 -54.01 -49.53 68.68 Favored 'General case' 0 CA--C 1.549 0.928 0 CA-C-O 118.694 -0.669 . . . . 50.0 110.556 -175.148 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 26.4 pt-20 -56.52 -45.6 81.0 Favored 'General case' 0 CA--C 1.552 1.034 0 CA-C-N 120.125 1.33 . . . . 50.0 111.192 -178.845 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 97.3 mm-40 -68.05 -36.79 80.46 Favored 'General case' 0 C--O 1.24 0.582 0 N-CA-C 114.557 1.318 . . . . 50.0 114.557 177.404 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 70.1 mt-30 -57.13 -38.39 73.38 Favored 'General case' 0 C--O 1.26 1.615 0 O-C-N 124.659 1.225 . . . . 50.0 110.068 175.635 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 91.3 mm-40 -69.87 -41.24 75.09 Favored 'General case' 0 N--CA 1.447 -0.598 0 C-N-CA 119.998 -0.681 . . . . 50.0 109.893 -175.806 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 70.6 mt -61.02 -42.72 94.15 Favored 'Isoleucine or valine' 0 CA--C 1.576 1.981 0 CA-C-O 122.055 0.931 . . . . 50.0 109.904 -177.777 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 42.5 tp -62.09 -49.43 75.98 Favored 'General case' 0 N--CA 1.428 -1.528 0 CA-C-O 122.185 0.993 . . . . 50.0 113.061 179.1 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 33.0 mt -55.09 -42.63 65.98 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 114.538 -1.21 . . . . 50.0 108.945 177.722 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 73.8 mtp180 -64.35 -37.95 89.3 Favored 'General case' 0 N--CA 1.474 0.73 0 O-C-N 121.55 -0.719 . . . . 50.0 110.033 -178.858 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -62.82 -47.61 82.66 Favored 'General case' 0 C--N 1.297 -1.684 0 O-C-N 123.171 0.294 . . . . 25.0 111.714 176.071 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 35.3 mt -62.36 -27.3 68.97 Favored 'General case' 0 CA--C 1.549 0.926 0 N-CA-C 114.58 1.326 . . . . 50.0 114.58 179.294 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 92.1 mt-30 -73.3 -36.97 66.35 Favored 'General case' 0 CA--C 1.568 1.652 0 CA-C-N 115.233 -0.894 . . . . 50.0 111.351 177.65 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -62.96 -37.87 88.84 Favored 'General case' 0 N--CA 1.492 1.631 0 CA-C-N 116.172 -0.467 . . . . 25.0 111.666 172.924 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -65.27 -44.83 86.79 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-O 122.045 0.926 . . . . 25.0 110.738 174.089 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 78.0 t60 -59.67 -29.37 68.01 Favored 'General case' 0 N--CA 1.434 -1.234 0 N-CA-C 113.239 0.829 . . . . 50.0 113.239 175.889 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 62.6 t80 -63.24 -35.22 79.6 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 120.023 -1.673 . . . . 25.0 109.609 179.341 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 69.1 mt-30 -64.91 -40.06 94.49 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 114.904 -1.044 . . . . 25.0 110.382 176.136 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 8.2 mp0 -70.45 -34.99 73.07 Favored 'General case' 0 N--CA 1.447 -0.576 0 C-N-CA 118.029 -1.469 . . . . 50.0 109.538 179.934 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 17.8 t80 -60.03 -40.24 88.66 Favored 'General case' 0 C--O 1.211 -0.958 0 N-CA-C 113.426 0.899 . . . . 50.0 113.426 175.216 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 37.9 mmt . . . . . 0 CA--C 1.508 -0.667 0 O-C-N 120.751 -1.218 . . . . 50.0 111.76 174.775 . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 18.1 ptmt . . . . . 0 CA--C 1.512 -0.509 0 N-CA-C 118.001 2.593 . . . . 25.0 118.001 . . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 -62.01 -25.85 67.88 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 114.024 1.12 . . . . 25.0 114.024 179.919 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 90.6 mt-30 -66.36 -40.27 89.66 Favored 'General case' 0 C--O 1.205 -1.237 0 O-C-N 121.05 -1.031 . . . . 50.0 109.091 178.311 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 77.4 mt -64.82 -47.6 87.81 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.817 0 N-CA-C 107.016 -1.476 . . . . 50.0 107.016 -178.406 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 78.6 mtp -59.15 -46.78 87.49 Favored 'General case' 0 N--CA 1.427 -1.576 0 C-N-CA 120.186 -0.605 . . . . 50.0 111.092 -179.909 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.59 -37.75 82.39 Favored 'General case' 0 CA--C 1.555 1.146 0 N-CA-C 113.929 1.085 . . . . 25.0 113.929 -178.388 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.25 -44.88 82.46 Favored 'General case' 0 CA--C 1.497 -1.096 0 CA-C-N 116.391 -0.368 . . . . 25.0 110.299 176.897 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 98.0 mt -67.78 -41.35 83.39 Favored 'General case' 0 C--N 1.308 -1.207 0 O-C-N 124.343 1.027 . . . . 50.0 110.354 -177.946 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 96.0 m-20 -69.19 -27.76 65.78 Favored 'General case' 0 C--O 1.248 0.982 0 CA-C-N 115.857 -0.61 . . . . 50.0 110.999 -176.122 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.44 -22.86 65.49 Favored 'General case' 0 N--CA 1.483 1.213 0 N-CA-C 111.757 0.281 . . . . 25.0 111.757 -178.264 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 58.6 mm-40 -75.62 -19.86 58.92 Favored 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 112.888 0.699 . . . . 50.0 112.888 175.464 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 38.0 p -125.95 11.33 7.71 Favored 'General case' 0 N--CA 1.432 -1.343 0 CA-C-O 121.618 0.723 . . . . 25.0 112.582 -171.701 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.08 -65.06 0.62 Allowed 'General case' 0 C--O 1.248 0.992 0 C-N-CA 123.532 0.733 . . . . 25.0 111.882 -176.337 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.0 p -73.98 -25.88 20.64 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.855 0 CA-C-O 122.072 0.939 . . . . 50.0 111.796 -178.464 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 43.2 tt0 -62.81 -42.56 99.77 Favored 'General case' 0 C--O 1.216 -0.685 0 CA-C-O 121.971 0.891 . . . . 50.0 111.505 -179.903 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 18.8 m-30 -77.63 -25.84 50.05 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-O 117.532 -1.223 . . . . 50.0 111.043 177.095 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 55.5 tt0 -67.84 -45.06 75.69 Favored 'General case' 0 C--O 1.243 0.726 0 CA-C-O 121.799 0.809 . . . . 50.0 109.257 179.67 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 19.2 mm100 -64.19 -40.85 96.95 Favored 'General case' 0 N--CA 1.441 -0.904 0 CA-C-O 122.637 1.208 . . . . 50.0 110.297 178.01 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 87.1 t80 -64.44 -41.96 96.26 Favored 'General case' 0 N--CA 1.468 0.454 0 O-C-N 120.822 -1.174 . . . . 50.0 112.051 177.459 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.15 -41.37 88.14 Favored 'General case' 0 N--CA 1.434 -1.235 0 CA-C-O 119.48 -0.295 . . . . 25.0 110.872 -177.511 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.16 -26.11 65.6 Favored 'General case' 0 C--N 1.319 -0.749 0 O-C-N 125.726 1.891 . . . . 25.0 111.386 -177.737 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -75.4 -25.03 57.28 Favored 'General case' 0 CA--C 1.552 1.042 0 C-N-CA 123.517 0.727 . . . . 50.0 110.514 -179.427 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 83.2 mm-40 -95.66 -43.77 7.76 Favored 'General case' 0 CA--C 1.554 1.105 0 N-CA-C 114.221 1.193 . . . . 50.0 114.221 179.136 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -125.89 68.69 63.64 Favored Pre-proline 0 N--CA 1.47 0.54 0 CA-C-O 122.413 1.102 . . . . 50.0 111.211 -179.574 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 70.7 Cg_endo -72.07 143.54 40.54 Favored 'Trans proline' 0 CA--C 1.534 0.487 0 C-N-CA 116.567 -1.822 . . . . 50.0 112.743 -175.067 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.19 -3.43 58.16 Favored Glycine 0 C--O 1.267 2.215 0 C-N-CA 119.722 -1.227 . . . . 25.0 113.879 -176.749 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -117.35 85.12 2.27 Favored 'General case' 0 C--O 1.196 -1.753 0 CA-C-O 122.004 0.906 . . . . 50.0 111.398 176.323 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 26.4 t80 -54.94 -44.41 74.27 Favored 'General case' 0 C--O 1.21 -0.983 0 N-CA-C 113.301 0.852 . . . . 50.0 113.301 177.797 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -62.76 -42.55 99.73 Favored 'General case' 0 N--CA 1.48 1.053 0 N-CA-C 113.926 1.084 . . . . 50.0 113.926 -178.906 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 97.9 mm-40 -67.61 -34.58 77.29 Favored 'General case' 0 C--O 1.251 1.142 0 O-C-N 121.33 -0.856 . . . . 50.0 111.21 176.115 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 69.5 mt-30 -62.97 -35.91 81.73 Favored 'General case' 0 C--N 1.308 -1.222 0 CA-C-O 122.251 1.024 . . . . 50.0 110.924 178.042 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 40.5 mm-40 -70.24 -42.74 71.81 Favored 'General case' 0 C--O 1.2 -1.501 0 N-CA-C 107.675 -1.231 . . . . 50.0 107.675 179.582 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 68.6 mt -59.83 -39.94 81.32 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.518 0 CA-C-O 122.864 1.316 . . . . 50.0 109.888 -177.315 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 26.4 tp -64.59 -53.3 49.85 Favored 'General case' 0 C--O 1.206 -1.222 0 CA-C-N 114.818 -1.083 . . . . 50.0 112.086 -178.583 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 61.8 mt -53.68 -42.25 50.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 C-N-CA 123.522 0.729 . . . . 50.0 110.669 176.623 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 22.2 ttm180 -54.68 -45.61 73.94 Favored 'General case' 0 C--O 1.249 1.078 0 CA-C-N 118.116 0.417 . . . . 50.0 110.29 177.512 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 58.5 mt-30 -65.65 -40.7 92.74 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 113.804 1.038 . . . . 25.0 113.804 178.016 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 44.7 mt -65.82 -40.23 91.63 Favored 'General case' 0 CA--C 1.56 1.352 0 C-N-CA 119.308 -0.957 . . . . 50.0 109.212 -179.888 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 -61.31 -33.24 73.27 Favored 'General case' 0 C--N 1.309 -1.193 0 CA-C-N 116.122 -0.49 . . . . 50.0 112.03 175.764 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -67.53 -42.7 82.31 Favored 'General case' 0 C--N 1.316 -0.878 0 O-C-N 121.351 -0.843 . . . . 25.0 112.641 177.339 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -61.21 -49.39 77.35 Favored 'General case' 0 C--N 1.353 0.732 0 CA-C-O 121.339 0.59 . . . . 25.0 109.815 177.406 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 11.7 t60 -63.81 -38.98 93.1 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-O 118.833 -0.603 . . . . 50.0 110.937 -178.485 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 38.1 t80 -63.6 -41.8 98.3 Favored 'General case' 0 CA--C 1.505 -0.766 0 N-CA-C 113.889 1.07 . . . . 25.0 113.889 176.133 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 59.6 mt-30 -64.13 -34.86 79.02 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 120.229 -0.589 . . . . 25.0 111.879 177.579 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.9 tp-100 -61.14 -41.58 96.99 Favored 'General case' 0 C--N 1.314 -0.968 0 C-N-CA 120.132 -0.627 . . . . 50.0 110.39 178.308 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 28.7 t80 -72.12 -38.44 69.28 Favored 'General case' 0 C--N 1.344 0.35 0 CA-C-O 122.089 0.947 . . . . 50.0 110.408 -178.093 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 30.3 mmt . . . . . 0 C--O 1.197 -1.666 0 CA-C-N 115.437 -0.801 . . . . 50.0 110.683 174.539 . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt . . . . . 0 C--O 1.241 0.611 0 N-CA-C 113.645 0.98 . . . . 25.0 113.645 . . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 68.5 mt-30 -65.57 -30.43 71.16 Favored 'General case' 0 C--N 1.306 -1.312 0 CA-C-N 114.297 -1.32 . . . . 25.0 112.433 176.601 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 9.6 mm-40 -58.49 -39.0 78.79 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.28 -0.418 . . . . 50.0 111.965 171.997 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 56.6 mt -71.74 -40.86 70.39 Favored 'Isoleucine or valine' 0 C--N 1.351 0.664 0 N-CA-C 104.028 -2.582 . . . . 50.0 104.028 -173.611 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 61.5 mtp -64.32 -37.07 86.18 Favored 'General case' 0 CA--C 1.507 -0.689 0 N-CA-C 109.723 -0.473 . . . . 50.0 109.723 -177.107 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.15 -33.98 77.3 Favored 'General case' 0 CA--C 1.543 0.702 0 O-C-N 125.548 1.78 . . . . 25.0 110.388 177.301 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.91 -46.28 68.72 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.548 -0.751 . . . . 25.0 110.745 177.423 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 95.0 mt -63.19 -38.27 90.53 Favored 'General case' 0 C--O 1.207 -1.145 0 C-N-CA 123.745 0.818 . . . . 50.0 109.237 178.103 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -60.57 -38.3 84.12 Favored 'General case' 0 C--N 1.313 -1.018 0 CA-C-O 118.969 -0.539 . . . . 50.0 111.139 -179.951 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 14.7 t -63.46 -37.6 87.92 Favored 'General case' 0 C--O 1.205 -1.249 0 N-CA-C 112.924 0.713 . . . . 25.0 112.924 176.45 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -69.86 -31.36 69.15 Favored 'General case' 0 C--O 1.205 -1.241 0 N-CA-C 115.334 1.605 . . . . 50.0 115.334 179.204 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 72.7 p -114.8 3.9 14.79 Favored 'General case' 0 C--O 1.2 -1.524 0 N-CA-C 113.936 1.087 . . . . 25.0 113.936 -171.045 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -48.54 -64.18 0.87 Allowed 'General case' 0 CA--C 1.547 0.845 0 O-C-N 121.138 -0.976 . . . . 25.0 113.465 -173.62 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 11.3 p -76.23 -29.08 18.89 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.081 0 O-C-N 121.914 -0.491 . . . . 50.0 111.732 -179.072 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 55.9 tt0 -62.58 -45.12 94.34 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 108.106 -1.072 . . . . 50.0 108.106 -178.34 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 14.1 m-30 -75.91 -25.47 56.05 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-O 118.963 -0.541 . . . . 50.0 112.391 176.143 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -64.8 -44.19 90.72 Favored 'General case' 0 CA--C 1.569 1.692 0 C-N-CA 120.386 -0.525 . . . . 50.0 110.567 177.096 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -63.43 -40.87 98.33 Favored 'General case' 0 C--O 1.245 0.848 0 N-CA-C 113.636 0.976 . . . . 50.0 113.636 176.45 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 89.2 t80 -65.89 -41.11 91.95 Favored 'General case' 0 N--CA 1.439 -1.001 0 N-CA-C 113.161 0.8 . . . . 50.0 113.161 173.827 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -68.06 -35.59 78.47 Favored 'General case' 0 CA--C 1.559 1.312 0 CA-C-O 121.773 0.797 . . . . 25.0 111.016 -178.602 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.71 -27.14 65.68 Favored 'General case' 0 N--CA 1.476 0.872 0 O-C-N 120.786 -1.196 . . . . 25.0 113.244 173.511 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -72.76 -20.68 61.14 Favored 'General case' 0 C--O 1.244 0.794 0 N-CA-C 113.261 0.838 . . . . 50.0 113.261 175.222 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 83.1 mm-40 -99.85 -40.6 7.62 Favored 'General case' 0 N--CA 1.496 1.865 0 CA-C-O 122.773 1.273 . . . . 50.0 114.112 -177.238 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 22.8 m-85 -126.44 67.24 64.89 Favored Pre-proline 0 N--CA 1.496 1.83 0 CA-C-N 114.9 -1.046 . . . . 50.0 112.335 -179.452 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -69.0 138.43 40.2 Favored 'Trans proline' 0 CA--C 1.548 1.187 0 C-N-CA 118.591 -0.473 . . . . 50.0 113.319 -174.571 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.44 3.73 83.16 Favored Glycine 0 CA--C 1.537 1.452 0 O-C-N 120.249 -1.532 . . . . 25.0 113.238 -179.923 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -121.42 86.81 2.64 Favored 'General case' 0 N--CA 1.474 0.772 0 O-C-N 120.403 -1.645 . . . . 50.0 111.125 -179.808 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 47.0 t80 -58.74 -47.06 85.92 Favored 'General case' 0 N--CA 1.515 2.782 0 N-CA-C 113.146 0.795 . . . . 50.0 113.146 178.333 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -62.63 -38.37 89.97 Favored 'General case' 0 C--O 1.192 -1.938 0 O-C-N 121.052 -1.03 . . . . 50.0 111.967 179.766 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 97.3 mm-40 -71.55 -35.27 70.56 Favored 'General case' 0 CA--C 1.495 -1.138 0 O-C-N 120.338 -1.476 . . . . 50.0 113.397 -179.933 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 71.3 mt-30 -59.31 -40.49 86.37 Favored 'General case' 0 C--O 1.252 1.186 0 CA-C-N 114.533 -1.212 . . . . 50.0 111.195 175.687 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 63.8 mm-40 -65.7 -43.15 90.06 Favored 'General case' 0 CA--C 1.546 0.8 0 CA-C-O 121.311 0.577 . . . . 50.0 109.562 -177.936 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 93.3 mt -60.1 -45.74 95.31 Favored 'Isoleucine or valine' 0 C--O 1.248 1.019 0 N-CA-C 107.652 -1.24 . . . . 50.0 107.652 -178.916 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 34.8 tp -60.42 -47.24 86.95 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-O 118.386 -0.816 . . . . 50.0 111.897 178.598 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 61.7 mt -57.53 -40.48 75.11 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 CA-C-N 119.484 1.038 . . . . 50.0 110.274 179.887 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.2 -36.21 74.96 Favored 'General case' 0 N--CA 1.475 0.778 0 O-C-N 123.594 0.559 . . . . 50.0 110.842 178.834 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -74.26 -44.3 53.49 Favored 'General case' 0 CA--C 1.501 -0.923 0 C-N-CA 120.179 -0.608 . . . . 25.0 111.136 177.883 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 97.6 mt -60.99 -38.3 85.53 Favored 'General case' 0 N--CA 1.438 -1.052 0 C-N-CA 120.269 -0.573 . . . . 50.0 110.952 -173.978 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 34.9 mm-40 -64.14 -40.15 95.54 Favored 'General case' 0 C--O 1.222 -0.352 0 O-C-N 120.629 -1.294 . . . . 50.0 109.607 -179.612 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -77.38 -29.88 53.42 Favored 'General case' 0 N--CA 1.485 1.295 0 O-C-N 120.634 -1.291 . . . . 25.0 110.036 -176.88 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 77.4 mm-40 -68.15 -44.16 76.65 Favored 'General case' 0 N--CA 1.492 1.629 0 N-CA-C 108.047 -1.094 . . . . 25.0 108.047 179.3 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 25.7 t60 -64.1 -40.26 95.84 Favored 'General case' 0 C--O 1.249 1.037 0 CA-C-O 120.906 0.384 . . . . 50.0 110.934 173.954 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 69.8 t80 -60.83 -34.27 74.31 Favored 'General case' 0 C--O 1.241 0.642 0 N-CA-C 113.272 0.841 . . . . 25.0 113.272 -176.658 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -67.64 -43.94 79.12 Favored 'General case' 0 N--CA 1.501 2.098 0 C-N-CA 119.738 -0.785 . . . . 25.0 109.637 -179.2 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 49.6 tt0 -66.12 -37.09 84.87 Favored 'General case' 0 C--O 1.213 -0.827 0 CA-C-N 116.357 -0.383 . . . . 50.0 110.071 178.188 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 41.5 t80 -61.47 -48.32 81.67 Favored 'General case' 0 C--O 1.203 -1.369 0 C-N-CA 123.39 0.676 . . . . 50.0 109.841 175.877 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.206 -1.192 0 CA-C-N 118.72 0.691 . . . . 50.0 111.742 177.605 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 62.7 mttp . . . . . 0 C--O 1.2 -1.531 0 N-CA-C 114.022 1.119 . . . . 25.0 114.022 . . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 28.2 tt0 -66.12 -28.98 69.21 Favored 'General case' 0 N--CA 1.439 -0.98 0 CA-C-O 119.248 -0.406 . . . . 25.0 111.325 -172.737 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 19.0 mm100 -61.2 -36.85 81.0 Favored 'General case' 0 C--O 1.211 -0.965 0 CA-C-O 118.72 -0.657 . . . . 50.0 112.209 175.077 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 35.4 mt -69.63 -46.02 76.38 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.9 0 C-N-CA 123.26 0.624 . . . . 50.0 109.91 176.32 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 73.6 mtp -65.88 -31.43 72.37 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.06 -0.973 . . . . 50.0 111.61 -177.29 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.87 -38.39 88.69 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.066 -0.716 . . . . 25.0 109.066 175.654 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.86 -44.67 72.87 Favored 'General case' 0 CA--C 1.532 0.256 0 O-C-N 121.109 -0.994 . . . . 25.0 108.51 -178.647 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 80.0 mt -63.21 -36.91 85.2 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-O 118.444 -0.789 . . . . 50.0 110.069 179.024 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -54.09 -40.18 67.01 Favored 'General case' 0 C--N 1.312 -1.045 0 CA-C-O 121.941 0.877 . . . . 50.0 111.416 172.878 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 14.8 m -75.14 -44.88 44.49 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 119.021 -1.072 . . . . 25.0 108.771 -176.566 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -67.25 -37.83 84.15 Favored 'General case' 0 C--O 1.196 -1.741 0 N-CA-C 112.927 0.714 . . . . 50.0 112.927 -173.941 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 75.3 p -106.0 11.65 31.36 Favored 'General case' 0 CA--C 1.502 -0.884 0 N-CA-C 116.225 1.935 . . . . 25.0 116.225 -175.337 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -49.84 -70.51 0.09 Allowed 'General case' 0 CA--C 1.552 1.031 0 N-CA-C 114.316 1.228 . . . . 25.0 114.316 178.601 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 4.5 p -71.58 -26.92 27.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-O 123.31 1.529 . . . . 50.0 110.442 -174.861 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 40.8 tt0 -62.23 -48.97 77.6 Favored 'General case' 0 CA--C 1.557 1.239 0 CA-C-N 113.888 -1.505 . . . . 50.0 107.072 -176.149 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 12.0 m-30 -81.75 -22.71 37.1 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 120.687 -1.258 . . . . 50.0 112.022 -179.239 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -61.76 -27.83 69.01 Favored 'General case' 0 CA--C 1.569 1.689 0 CA-C-O 122.021 0.915 . . . . 50.0 113.435 -177.903 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -58.91 -41.61 87.67 Favored 'General case' 0 C--O 1.259 1.561 0 O-C-N 120.187 -1.57 . . . . 50.0 112.162 177.072 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 72.0 t80 -74.68 -35.17 62.78 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 123.775 0.83 . . . . 50.0 112.994 173.665 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.02 -40.87 97.3 Favored 'General case' 0 C--O 1.213 -0.829 0 C-N-CA 120.774 -0.37 . . . . 25.0 110.024 -179.342 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -73.25 -25.03 60.55 Favored 'General case' 0 N--CA 1.48 1.064 0 O-C-N 124.315 1.009 . . . . 25.0 111.693 -179.66 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 66.4 tt0 -71.05 -25.94 62.87 Favored 'General case' 0 CA--C 1.564 1.518 0 O-C-N 123.744 0.652 . . . . 50.0 110.044 175.232 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 11.5 mm100 -96.46 -46.58 6.31 Favored 'General case' 0 C--N 1.313 -0.995 0 O-C-N 124.1 0.875 . . . . 50.0 112.9 -178.956 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 30.3 m-85 -120.64 70.94 18.33 Favored Pre-proline 0 CA--C 1.562 1.409 0 CA-C-O 121.392 0.615 . . . . 50.0 112.049 179.611 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -67.54 137.29 42.25 Favored 'Trans proline' 0 C--O 1.199 -1.462 0 O-C-N 119.222 -0.988 . . . . 50.0 114.375 -177.662 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 76.86 -13.73 8.38 Favored Glycine 0 CA--C 1.565 3.208 0 N-CA-C 115.94 1.136 . . . . 25.0 115.94 -176.032 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 11.8 m120 -99.53 84.83 3.03 Favored 'General case' 0 C--N 1.309 -1.19 0 O-C-N 120.644 -1.504 . . . . 50.0 109.661 -177.552 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 55.3 t80 -51.88 -48.77 63.93 Favored 'General case' 0 N--CA 1.489 1.476 0 N-CA-C 114.084 1.142 . . . . 50.0 114.084 174.297 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -61.26 -40.94 95.96 Favored 'General case' 0 C--O 1.204 -1.309 0 C-N-CA 118.408 -1.317 . . . . 50.0 112.774 -177.831 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 -69.43 -35.89 76.12 Favored 'General case' 0 C--N 1.318 -0.761 0 O-C-N 121.66 -0.65 . . . . 50.0 110.933 -178.893 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 67.8 mt-30 -60.15 -36.56 77.8 Favored 'General case' 0 CA--C 1.504 -0.815 0 CA-C-N 115.462 -0.79 . . . . 50.0 109.824 174.717 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 85.8 mm-40 -70.3 -40.3 74.34 Favored 'General case' 0 N--CA 1.487 1.399 0 N-CA-C 108.421 -0.955 . . . . 50.0 108.421 -177.306 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 84.4 mt -60.69 -42.37 91.73 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.709 0 C-N-CA 123.664 0.786 . . . . 50.0 109.044 -178.32 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 13.2 tp -67.7 -48.94 65.12 Favored 'General case' 0 C--O 1.21 -1.02 0 CA-C-N 115.29 -0.868 . . . . 50.0 110.543 -177.345 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 67.5 mt -53.76 -47.97 61.87 Favored 'Isoleucine or valine' 0 C--O 1.248 1.009 0 C-N-CA 123.484 0.713 . . . . 50.0 110.61 175.563 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 8.0 tmm_? -58.05 -40.67 81.52 Favored 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 119.836 -0.745 . . . . 50.0 110.618 175.9 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 38.5 tt0 -61.37 -46.44 90.17 Favored 'General case' 0 C--O 1.225 -0.227 0 O-C-N 119.562 -1.961 . . . . 25.0 112.901 176.127 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 47.4 mt -59.27 -42.51 91.37 Favored 'General case' 0 C--N 1.3 -1.549 0 N-CA-C 113.481 0.919 . . . . 50.0 113.481 178.721 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -65.4 -35.77 81.96 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.507 -0.77 . . . . 50.0 112.529 175.733 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 87.9 mt-10 -72.36 -33.93 67.62 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 118.813 -1.155 . . . . 25.0 109.802 -178.243 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 4.2 tp60 -66.7 -38.03 85.93 Favored 'General case' 0 CA--C 1.544 0.746 0 CA-C-O 121.824 0.821 . . . . 25.0 109.813 175.186 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 46.0 t-80 -67.86 -39.73 83.73 Favored 'General case' 0 C--O 1.21 -1.015 0 CA-C-O 122.154 0.978 . . . . 50.0 111.804 179.919 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 23.4 t80 -57.2 -31.21 65.22 Favored 'General case' 0 C--N 1.353 0.759 0 O-C-N 121.657 -0.652 . . . . 25.0 110.074 179.032 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -63.41 -44.88 93.39 Favored 'General case' 0 C--O 1.258 1.519 0 O-C-N 121.503 -0.748 . . . . 25.0 110.599 176.729 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -69.45 -32.0 70.66 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 109.131 -0.692 . . . . 50.0 109.131 178.912 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 24.8 t80 -64.69 -37.9 89.15 Favored 'General case' 0 C--O 1.256 1.43 0 CA-C-O 121.394 0.616 . . . . 50.0 111.39 176.114 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.492 -1.26 0 CA-C-N 114.719 -1.128 . . . . 50.0 112.688 175.927 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.446 -0.631 0 N-CA-C 113.883 1.068 . . . . 25.0 113.883 . . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -68.39 -27.32 66.11 Favored 'General case' 0 CA--C 1.505 -0.787 0 O-C-N 121.307 -0.871 . . . . 25.0 111.454 -177.952 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 -62.12 -40.35 95.61 Favored 'General case' 0 CA--C 1.559 1.314 0 N-CA-C 109.614 -0.513 . . . . 50.0 109.614 176.024 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 46.0 mt -73.87 -35.37 42.62 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.298 0 CA-C-N 115.863 -0.608 . . . . 50.0 110.379 -179.814 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 83.0 mtp -65.97 -35.35 80.34 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 119.897 -0.721 . . . . 50.0 111.673 176.98 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.26 -35.21 80.33 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 109.446 -0.576 . . . . 25.0 109.446 179.195 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.26 -49.31 64.83 Favored 'General case' 0 C--O 1.246 0.884 0 C-N-CA 120.631 -0.427 . . . . 25.0 110.146 177.086 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 94.8 mt -61.3 -30.27 70.38 Favored 'General case' 0 N--CA 1.481 1.107 0 N-CA-C 112.554 0.576 . . . . 50.0 112.554 178.693 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -64.0 -38.02 89.56 Favored 'General case' 0 CA--C 1.5 -0.951 0 N-CA-C 108.605 -0.887 . . . . 50.0 108.605 -177.677 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 15.4 t -69.08 -35.67 76.75 Favored 'General case' 0 C--O 1.223 -0.33 0 N-CA-C 111.905 0.335 . . . . 25.0 111.905 -177.661 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -72.13 -39.45 68.82 Favored 'General case' 0 C--O 1.217 -0.627 0 N-CA-C 113.363 0.875 . . . . 50.0 113.363 -178.484 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 76.5 p -109.24 11.33 25.46 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 115.527 1.677 . . . . 25.0 115.527 -170.802 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.47 -64.75 0.81 Allowed 'General case' 0 N--CA 1.478 0.972 0 O-C-N 121.52 -0.737 . . . . 25.0 111.42 -174.686 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 5.4 p -70.6 -24.32 25.16 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.831 0 O-C-N 121.579 -0.7 . . . . 50.0 110.07 -178.755 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 -64.15 -45.71 87.3 Favored 'General case' 0 C--N 1.317 -0.823 0 C-N-CA 122.876 0.47 . . . . 50.0 111.766 177.672 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 21.5 m-30 -83.84 -24.47 30.92 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 112.48 0.548 . . . . 50.0 112.48 177.553 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 46.4 tt0 -61.03 -42.57 98.72 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-O 121.329 0.585 . . . . 50.0 112.509 178.04 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 25.7 mm100 -70.69 -32.19 69.33 Favored 'General case' 0 N--CA 1.432 -1.367 0 O-C-N 121.586 -0.696 . . . . 50.0 112.599 179.045 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 37.3 t80 -71.93 -36.5 69.95 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 109.107 -0.701 . . . . 50.0 109.107 174.861 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.98 -34.15 77.76 Favored 'General case' 0 CA--C 1.497 -1.061 0 N-CA-C 108.582 -0.895 . . . . 25.0 108.582 -179.89 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.57 -26.75 68.0 Favored 'General case' 0 CA--C 1.544 0.744 0 CA-C-N 118.143 0.429 . . . . 25.0 112.07 -179.094 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -80.84 -14.39 58.08 Favored 'General case' 0 C--N 1.308 -1.209 0 N-CA-C 113.847 1.054 . . . . 50.0 113.847 178.782 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 50.7 mm-40 -103.56 -38.4 7.15 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-O 121.289 0.566 . . . . 50.0 110.542 -179.029 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 37.4 m-85 -129.08 70.54 81.69 Favored Pre-proline 0 C--O 1.247 0.949 0 CA-C-N 115.667 -0.697 . . . . 50.0 111.43 177.572 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -67.84 144.85 66.57 Favored 'Trans proline' 0 C--O 1.2 -1.386 0 C-N-CA 114.648 -3.101 . . . . 50.0 112.369 -176.641 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 82.06 -29.22 3.13 Favored Glycine 0 C--O 1.219 -0.79 0 N-CA-C 114.779 0.672 . . . . 25.0 114.779 -179.474 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -97.35 84.67 3.5 Favored 'General case' 0 CA--C 1.494 -1.192 0 O-C-N 122.074 -0.663 . . . . 50.0 111.887 -171.535 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 47.4 t80 -53.94 -44.29 70.54 Favored 'General case' 0 C--N 1.317 -0.844 0 O-C-N 124.343 1.027 . . . . 50.0 112.105 179.243 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -60.73 -43.31 98.04 Favored 'General case' 0 C--O 1.213 -0.858 0 C-N-CA 120.019 -0.672 . . . . 50.0 111.07 -179.61 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 30.6 mm100 -71.47 -36.57 71.22 Favored 'General case' 0 CA--C 1.507 -0.699 0 CA-C-O 122.183 0.992 . . . . 50.0 112.307 -179.399 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 60.1 mt-30 -56.99 -37.54 71.79 Favored 'General case' 0 N--CA 1.477 0.925 0 CA-C-O 122.099 0.952 . . . . 50.0 110.852 174.367 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 93.7 mm-40 -75.62 -37.36 59.81 Favored 'General case' 0 C--N 1.321 -0.671 0 O-C-N 121.617 -0.677 . . . . 50.0 112.552 -176.263 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 79.7 mt -60.13 -40.86 84.65 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.726 0 N-CA-C 107.404 -1.332 . . . . 50.0 107.404 175.752 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 18.2 tp -66.3 -46.88 75.42 Favored 'General case' 0 C--O 1.219 -0.523 0 CA-C-O 121.307 0.575 . . . . 50.0 112.438 -179.941 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 48.8 mt -58.47 -38.35 69.66 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 N-CA-C 108.499 -0.926 . . . . 50.0 108.499 179.148 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 5.7 tpt180 -55.2 -47.95 74.55 Favored 'General case' 0 C--O 1.244 0.793 0 CA-C-N 119.577 1.081 . . . . 50.0 110.274 177.271 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 49.7 tt0 -65.64 -43.42 89.5 Favored 'General case' 0 N--CA 1.476 0.825 0 CA-C-O 118.777 -0.63 . . . . 25.0 111.64 -179.768 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 56.5 mt -59.51 -41.59 90.27 Favored 'General case' 0 N--CA 1.48 1.041 0 N-CA-C 108.682 -0.859 . . . . 50.0 108.682 -176.251 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -69.46 -31.46 69.77 Favored 'General case' 0 C--O 1.254 1.319 0 O-C-N 121.841 -0.537 . . . . 50.0 110.556 -178.66 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -68.18 -39.26 82.57 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.314 -0.403 . . . . 25.0 110.589 178.734 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -73.89 -38.56 64.34 Favored 'General case' 0 CA--C 1.546 0.827 0 CA-C-N 116.043 -0.526 . . . . 25.0 112.085 177.511 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 41.9 t-80 -62.05 -31.68 72.12 Favored 'General case' 0 CA--C 1.554 1.101 0 N-CA-C 109.026 -0.731 . . . . 50.0 109.026 176.09 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 63.5 t80 -61.86 -35.96 79.84 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-N 118.089 0.404 . . . . 25.0 110.635 176.96 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 81.5 mt-30 -73.02 -37.51 66.89 Favored 'General case' 0 N--CA 1.48 1.061 0 O-C-N 121.568 -0.707 . . . . 25.0 111.083 -179.295 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -66.14 -39.95 90.23 Favored 'General case' 0 C--O 1.249 1.058 0 CA-C-O 121.595 0.712 . . . . 50.0 109.862 175.799 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 19.4 t80 -65.97 -43.21 88.54 Favored 'General case' 0 C--N 1.301 -1.515 0 CA-C-N 115.876 -0.602 . . . . 50.0 110.83 177.948 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.323 -0.578 0 N-CA-C 108.707 -0.849 . . . . 50.0 108.707 179.8 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 17.8 pttm . . . . . 0 N--CA 1.476 0.859 0 N-CA-C 113.686 0.995 . . . . 25.0 113.686 . . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 9.4 tm0? -70.12 -30.27 67.42 Favored 'General case' 0 N--CA 1.429 -1.514 0 CA-C-O 118.635 -0.698 . . . . 25.0 111.725 -178.994 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -59.22 -40.21 85.12 Favored 'General case' 0 N--CA 1.481 1.092 0 CA-C-O 121.807 0.813 . . . . 50.0 112.498 175.964 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 16.9 mt -66.8 -38.41 81.44 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.166 0 N-CA-C 109.123 -0.695 . . . . 50.0 109.123 177.685 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 73.8 mtp -66.01 -37.56 86.22 Favored 'General case' 0 C--O 1.212 -0.894 0 O-C-N 121.076 -1.015 . . . . 50.0 111.63 -178.678 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.87 -42.49 99.13 Favored 'General case' 0 CA--C 1.563 1.47 0 CA-C-N 115.938 -0.574 . . . . 25.0 109.539 178.215 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.8 -49.02 76.6 Favored 'General case' 0 C--O 1.255 1.352 0 N-CA-C 113.11 0.782 . . . . 25.0 113.11 176.482 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 86.2 mt -62.28 -36.19 81.33 Favored 'General case' 0 C--N 1.351 0.648 0 O-C-N 121.723 -0.61 . . . . 50.0 109.363 179.665 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 -70.37 -31.39 68.63 Favored 'General case' 0 C--O 1.203 -1.389 0 CA-C-O 122.497 1.142 . . . . 50.0 109.171 -174.541 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 51.1 m -68.42 -45.83 71.55 Favored 'General case' 0 CA--C 1.554 1.105 0 CA-C-N 115.131 -0.941 . . . . 25.0 109.974 -176.303 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -76.67 -9.4 58.64 Favored 'General case' 0 C--O 1.217 -0.625 0 N-CA-C 115.647 1.721 . . . . 50.0 115.647 -176.288 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 74.1 p -120.03 9.27 11.16 Favored 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 113.451 0.908 . . . . 25.0 113.451 176.766 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.66 -62.57 1.7 Allowed 'General case' 0 C--N 1.316 -0.885 0 CA-C-O 121.152 0.501 . . . . 25.0 112.093 -176.667 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 5.1 p -68.94 -36.39 73.76 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.071 0 CA-C-N 116.093 -0.503 . . . . 50.0 110.944 179.539 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -62.53 -44.99 94.99 Favored 'General case' 0 CA--C 1.516 -0.357 0 N-CA-C 109.188 -0.671 . . . . 50.0 109.188 -176.612 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 12.8 m-30 -76.97 -27.68 54.86 Favored 'General case' 0 C--O 1.195 -1.804 0 N-CA-C 109.016 -0.735 . . . . 50.0 109.016 -178.661 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 44.6 tt0 -60.64 -42.33 96.72 Favored 'General case' 0 C--O 1.245 0.841 0 O-C-N 121.14 -0.975 . . . . 50.0 109.004 176.509 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 33.4 mm-40 -61.12 -42.45 98.55 Favored 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 110.52 -0.178 . . . . 50.0 110.52 -179.788 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 78.8 t80 -69.91 -32.19 70.36 Favored 'General case' 0 N--CA 1.481 1.086 0 N-CA-C 115.012 1.486 . . . . 50.0 115.012 173.395 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.89 -30.88 65.85 Favored 'General case' 0 CA--C 1.547 0.856 0 O-C-N 120.342 -1.474 . . . . 25.0 108.66 -176.386 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.98 -21.41 63.24 Favored 'General case' 0 C--O 1.217 -0.645 0 C-N-CA 123.488 0.715 . . . . 25.0 110.544 176.299 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 40.5 tt0 -85.37 -10.23 56.57 Favored 'General case' 0 C--N 1.313 -0.998 0 CA-C-O 121.843 0.83 . . . . 50.0 108.999 -177.045 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 34.3 mm-40 -106.51 -47.13 3.84 Favored 'General case' 0 C--O 1.239 0.513 0 CA-C-N 115.203 -0.908 . . . . 50.0 110.23 177.587 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 31.5 m-85 -120.38 72.95 20.57 Favored Pre-proline 0 CA--C 1.557 1.237 0 CA-C-O 120.731 0.301 . . . . 50.0 110.497 179.902 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_endo -65.98 146.48 82.66 Favored 'Trans proline' 0 C--N 1.368 1.568 0 C-N-CA 115.393 -2.604 . . . . 50.0 111.522 -178.854 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 74.07 6.89 75.33 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 116.4 1.32 . . . . 25.0 116.4 174.037 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -131.33 77.53 1.78 Allowed 'General case' 0 N--CA 1.444 -0.773 0 CA-C-N 115.01 -0.595 . . . . 50.0 109.457 -177.585 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -54.2 -42.83 70.17 Favored 'General case' 0 CA--C 1.557 1.225 0 N-CA-C 108.621 -0.881 . . . . 50.0 108.621 178.28 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -56.25 -47.43 78.54 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.028 -1.045 . . . . 50.0 111.784 -179.532 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 27.8 mm100 -70.66 -33.4 70.9 Favored 'General case' 0 N--CA 1.439 -0.99 0 N-CA-C 113.597 0.962 . . . . 50.0 113.597 178.208 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -57.98 -37.82 74.93 Favored 'General case' 0 C--O 1.259 1.596 0 C-N-CA 120.121 -0.631 . . . . 50.0 110.617 174.018 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 59.3 mm-40 -70.22 -31.79 69.38 Favored 'General case' 0 N--CA 1.485 1.316 0 CA-C-O 123.817 1.77 . . . . 50.0 111.17 -172.893 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 85.5 mt -68.91 -41.9 82.19 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.99 0 CA-C-N 114.025 -1.443 . . . . 50.0 108.756 -179.34 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 33.0 tp -64.92 -46.2 82.65 Favored 'General case' 0 C--N 1.308 -1.213 0 CA-C-N 114.592 -1.186 . . . . 50.0 112.817 -177.877 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 67.6 mt -58.26 -31.27 41.95 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.917 0 CA-C-N 115.733 -0.667 . . . . 50.0 110.409 173.835 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 11.9 ttp85 -59.95 -42.45 94.09 Favored 'General case' 0 N--CA 1.434 -1.24 0 C-N-CA 118.483 -1.287 . . . . 50.0 110.639 -179.747 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 64.4 tp60 -77.01 -38.51 52.88 Favored 'General case' 0 C--O 1.242 0.684 0 CA-C-O 121.397 0.617 . . . . 25.0 110.794 -176.402 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 71.2 mt -53.91 -43.42 69.69 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 122.987 1.375 . . . . 50.0 110.156 177.978 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -68.56 -39.92 80.82 Favored 'General case' 0 C--O 1.275 2.422 0 O-C-N 121.415 -0.803 . . . . 50.0 111.282 -178.031 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -59.87 -44.01 94.4 Favored 'General case' 0 N--CA 1.489 1.477 0 CA-C-O 121.57 0.7 . . . . 25.0 111.577 176.525 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -68.12 -38.2 81.99 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 121.364 -0.835 . . . . 25.0 110.964 177.863 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 10.5 t60 -63.4 -34.38 77.6 Favored 'General case' 0 N--CA 1.44 -0.927 0 C-N-CA 119.718 -0.793 . . . . 50.0 111.433 175.18 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 10.4 t80 -59.2 -37.35 77.22 Favored 'General case' 0 C--O 1.218 -0.566 0 O-C-N 120.885 -1.135 . . . . 25.0 112.853 176.957 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -67.67 -40.41 84.43 Favored 'General case' 0 C--O 1.254 1.297 0 N-CA-C 108.656 -0.868 . . . . 25.0 108.656 179.454 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -65.72 -40.89 92.66 Favored 'General case' 0 N--CA 1.481 1.103 0 CA-C-O 122.28 1.038 . . . . 50.0 109.008 -179.403 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 34.2 t80 -67.58 -43.05 81.48 Favored 'General case' 0 C--N 1.3 -1.56 0 N-CA-C 107.923 -1.14 . . . . 50.0 107.923 -178.168 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.487 -1.443 0 N-CA-C 113.535 0.939 . . . . 50.0 113.535 176.267 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.629 0 CA-C-O 123.828 1.775 . . . . 25.0 114.239 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 28.6 tt0 -78.8 105.74 10.32 Favored 'General case' 0 C--O 1.224 -0.262 0 O-C-N 120.781 -1.199 . . . . 25.0 111.766 -177.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -95.05 14.15 22.81 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 114.476 1.288 . . . . 25.0 114.476 -175.674 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 72.6 mmtt -53.15 -47.05 69.05 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 116.129 1.9 . . . . 25.0 116.129 -175.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 23.1 pt20 -67.47 -22.26 65.48 Favored 'General case' 0 N--CA 1.468 0.438 0 N-CA-C 114.117 1.154 . . . . 25.0 114.117 -174.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 16.6 mm-40 -61.87 -37.12 83.37 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 121.544 0.688 . . . . 50.0 109.906 177.65 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 16.4 mt -67.61 -37.44 78.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.403 -0.817 . . . . 50.0 108.867 -178.608 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 69.7 mtp -65.81 -36.96 84.98 Favored 'General case' 0 C--O 1.223 -0.339 0 O-C-N 122.091 -0.381 . . . . 50.0 111.111 178.392 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.45 -40.81 85.39 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.229 0.538 . . . . 25.0 110.044 178.688 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.1 -46.03 82.75 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.161 0.505 . . . . 25.0 110.312 178.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 57.2 mt -63.15 -33.08 74.69 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.853 -0.612 . . . . 50.0 110.686 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -57.95 -51.08 71.12 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 110.199 -0.297 . . . . 50.0 110.199 178.137 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 19.8 m -65.3 -36.99 85.76 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 112.307 0.484 . . . . 25.0 112.307 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 20.5 mm-40 -71.39 -28.26 63.9 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.986 0.735 . . . . 50.0 112.986 -177.156 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 74.5 p -112.13 5.75 18.74 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 113.149 0.796 . . . . 25.0 113.149 -175.039 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.35 -68.64 0.16 Allowed 'General case' 0 CA--C 1.533 0.315 0 N-CA-C 113.67 0.989 . . . . 25.0 113.67 -174.528 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.9 p -70.7 -27.31 30.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 C-N-CA 120.128 -0.629 . . . . 50.0 110.619 -177.569 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 37.0 tt0 -59.76 -47.81 84.18 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 120.973 0.416 . . . . 50.0 110.339 179.353 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 16.5 m-30 -81.99 -24.69 35.31 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.477 -0.328 . . . . 50.0 111.078 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 46.6 tt0 -62.47 -41.22 98.62 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 122.056 -0.402 . . . . 50.0 111.077 178.35 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -62.89 -39.9 95.92 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.853 -0.425 . . . . 50.0 109.853 179.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 86.4 t80 -69.29 -43.26 74.2 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.039 0.447 . . . . 50.0 111.749 177.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.44 -36.91 81.7 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 122.117 -0.365 . . . . 25.0 111.253 -177.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.35 -26.07 67.11 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.542 -0.299 . . . . 25.0 111.619 179.37 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -76.65 -28.99 56.23 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.015 0.436 . . . . 50.0 110.077 178.439 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 30.1 mm100 -89.01 -44.42 10.41 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 113.06 0.763 . . . . 50.0 113.06 -176.279 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -122.47 67.12 27.37 Favored Pre-proline 0 C--O 1.241 0.654 0 CA-C-N 116.154 -0.476 . . . . 50.0 109.86 179.453 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -68.64 142.34 52.86 Favored 'Trans proline' 0 C--N 1.348 0.548 0 C-N-CA 115.761 -2.359 . . . . 50.0 111.677 -177.063 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 82.31 -15.77 27.07 Favored Glycine 0 C--O 1.223 -0.573 0 N-CA-C 114.905 0.722 . . . . 25.0 114.905 -178.623 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 8.4 m120 -109.34 84.18 1.88 Allowed 'General case' 0 CA--C 1.514 -0.441 0 CA-C-N 118.249 1.024 . . . . 50.0 109.92 -178.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 52.1 t80 -55.09 -42.28 72.64 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.648 -0.705 . . . . 50.0 110.979 178.569 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -57.71 -46.8 83.91 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 112.36 0.504 . . . . 50.0 112.36 179.225 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 80.9 mt-30 -72.56 -33.45 66.8 Favored 'General case' 0 CA--C 1.508 -0.667 0 O-C-N 122.128 -0.358 . . . . 50.0 111.241 -178.401 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 68.7 mt-30 -58.55 -38.17 77.27 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.201 -0.666 . . . . 50.0 109.201 175.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 95.6 mm-40 -71.63 -39.39 70.45 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-O 120.961 0.41 . . . . 50.0 111.06 -177.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 72.9 mt -63.13 -42.34 96.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 109.337 -0.616 . . . . 50.0 109.337 178.584 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 47.3 tp -63.04 -49.66 73.69 Favored 'General case' 0 C--O 1.22 -0.478 0 CA-C-N 116.486 -0.324 . . . . 50.0 110.79 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 61.4 mt -56.59 -39.78 64.74 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 CA-C-O 120.641 0.257 . . . . 50.0 110.803 179.079 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 70.4 ttt180 -57.12 -43.71 82.59 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.571 0.224 . . . . 50.0 110.99 178.533 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 47.5 tt0 -73.34 -34.64 65.76 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 111.637 0.236 . . . . 25.0 111.637 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 98.3 mt -62.34 -39.47 93.2 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 109.177 -0.675 . . . . 50.0 109.177 179.085 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -68.06 -36.26 79.57 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.517 -0.311 . . . . 50.0 111.214 179.355 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -68.9 -40.8 78.93 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.046 0.451 . . . . 25.0 110.343 179.323 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -68.86 -37.31 79.0 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 121.715 -0.615 . . . . 25.0 109.647 178.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 66.0 t-80 -62.16 -32.99 73.66 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 121.857 -0.527 . . . . 50.0 109.929 175.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 20.9 t80 -63.4 -34.49 77.84 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 121.69 -0.632 . . . . 25.0 111.099 178.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -65.8 -43.18 89.48 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.035 -0.728 . . . . 25.0 109.035 178.487 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 41.7 tt0 -64.35 -41.18 96.89 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.197 -0.456 . . . . 50.0 109.787 178.183 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 22.4 t80 -60.26 -39.73 87.84 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.132 0.491 . . . . 50.0 110.49 179.424 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.04 -38.22 79.03 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 121.868 -0.52 . . . . 50.0 111.654 179.057 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 32.9 mm-40 -66.16 -37.77 86.46 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 110.222 -0.288 . . . . 25.0 110.222 177.062 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -63.86 -44.15 93.96 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.665 -0.494 . . . . 50.0 109.665 177.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 44.3 mt -62.71 -30.02 71.1 Favored 'General case' 0 N--CA 1.468 0.448 0 N-CA-C 112.663 0.616 . . . . 25.0 112.663 -178.619 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -64.64 -39.27 93.4 Favored 'General case' 0 CA--C 1.54 0.56 0 O-C-N 121.866 -0.521 . . . . 25.0 110.218 176.245 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 68.6 mt-30 -72.09 -35.87 69.33 Favored 'General case' 0 C--N 1.322 -0.6 0 O-C-N 121.948 -0.47 . . . . 25.0 110.109 179.304 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 82.9 t -65.54 -39.22 84.41 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.553 0 N-CA-C 109.177 -0.675 . . . . 50.0 109.177 178.313 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 11.4 mm-40 -57.48 -49.9 74.78 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.838 -0.43 . . . . 50.0 109.838 176.486 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 85.9 mt -65.42 -35.15 80.06 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.313 0.486 . . . . 25.0 112.313 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.55 -43.75 96.88 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.129 0.49 . . . . 25.0 109.952 177.466 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 58.9 mt-30 -69.94 -34.44 73.44 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 120.227 -0.589 . . . . 50.0 110.883 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 -64.51 -46.19 84.0 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.637 -0.425 . . . . 50.0 111.256 178.057 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 21.0 pt20 -67.48 -29.94 69.51 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 119.964 -0.694 . . . . 50.0 110.831 -178.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.97 -30.08 71.04 Favored 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 110.589 -0.152 . . . . 25.0 110.589 178.317 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -87.93 -21.41 24.93 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 111.877 0.325 . . . . 25.0 111.877 179.332 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 58.1 mt -91.94 -41.29 10.66 Favored 'General case' 0 C--O 1.219 -0.551 0 N-CA-C 112.584 0.587 . . . . 50.0 112.584 -175.283 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 71.1 mm-40 47.06 36.34 4.14 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 114.369 1.248 . . . . 25.0 114.369 178.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 65.0 pttt -95.36 24.19 5.29 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-O 121.38 0.609 . . . . 50.0 110.569 179.655 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 91.6 mt-30 -149.43 163.14 38.62 Favored 'General case' 0 N--CA 1.443 -0.819 0 N-CA-C 100.538 -3.875 . . . . 50.0 100.538 178.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 . . . . . 0 N--CA 1.487 1.422 0 CA-C-O 126.284 2.945 . . . . 25.0 112.744 -179.928 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 53.1 ttm . . . . . 0 N--CA 1.488 1.428 0 N-CA-C 115.528 1.677 . . . . 25.0 115.528 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -99.61 -10.49 21.95 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-O 121.759 0.79 . . . . 25.0 111.328 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 10.8 mp0 -81.92 76.84 8.8 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.243 -0.89 . . . . 25.0 112.46 -173.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 25.5 pttm -48.86 -37.05 18.4 Favored 'General case' 0 N--CA 1.48 1.07 0 N-CA-C 114.712 1.375 . . . . 25.0 114.712 -179.363 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -69.93 -26.93 64.37 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 113.307 0.854 . . . . 25.0 113.307 -176.205 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 16.5 mm100 -62.62 -40.45 97.0 Favored 'General case' 0 N--CA 1.471 0.625 0 CA-C-O 121.409 0.623 . . . . 50.0 109.599 177.635 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 39.4 mt -68.41 -43.03 84.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 114.515 -1.22 . . . . 50.0 108.308 -176.536 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 75.3 mtp -63.07 -39.81 95.82 Favored 'General case' 0 C--O 1.215 -0.719 0 CA-C-N 116.305 -0.407 . . . . 50.0 110.801 177.61 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.99 -40.01 96.46 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 121.717 -0.615 . . . . 25.0 110.545 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.8 -44.1 82.15 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-O 120.985 0.421 . . . . 25.0 111.274 178.502 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 63.9 mt -64.13 -39.79 94.8 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.795 0.331 . . . . 50.0 110.364 178.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 66.9 m-20 -63.94 -36.21 83.22 Favored 'General case' 0 C--O 1.21 -0.986 0 N-CA-C 109.78 -0.452 . . . . 50.0 109.78 179.503 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 22.4 t -65.72 -34.68 78.76 Favored 'General case' 0 N--CA 1.469 0.512 0 O-C-N 121.728 -0.607 . . . . 25.0 111.287 179.467 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 69.0 mt-30 -73.51 -25.66 60.53 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-O 120.788 0.327 . . . . 50.0 111.782 -178.715 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 60.3 p -112.78 -3.64 14.16 Favored 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 113.723 1.009 . . . . 25.0 113.723 -172.209 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -49.46 -61.56 2.03 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 113.321 0.86 . . . . 25.0 113.321 -174.554 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.7 p -75.52 -28.99 20.39 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.577 0 CA-C-O 120.886 0.374 . . . . 50.0 111.515 -178.212 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 27.1 tt0 -64.06 -47.99 77.98 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-O 121.394 0.616 . . . . 50.0 110.751 -178.082 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 19.5 m-30 -74.59 -24.09 58.83 Favored 'General case' 0 C--O 1.215 -0.761 0 CA-C-N 116.216 -0.447 . . . . 50.0 110.255 178.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 19.7 tt0 -63.42 -40.11 96.29 Favored 'General case' 0 C--N 1.323 -0.582 0 O-C-N 121.818 -0.551 . . . . 50.0 111.622 178.541 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -64.86 -41.48 95.64 Favored 'General case' 0 C--O 1.218 -0.566 0 C-N-CA 120.468 -0.493 . . . . 50.0 110.218 179.008 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 62.3 t80 -65.56 -41.91 92.44 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.367 0.603 . . . . 50.0 110.554 177.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.75 -37.69 88.44 Favored 'General case' 0 C--N 1.317 -0.814 0 O-C-N 121.859 -0.526 . . . . 25.0 110.717 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.83 -30.33 69.71 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.794 -0.447 . . . . 25.0 109.794 179.66 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -71.49 -28.6 64.03 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.288 0.566 . . . . 50.0 110.993 179.284 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -91.96 -45.21 8.46 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.541 -0.754 . . . . 50.0 112.489 -176.175 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -122.73 67.13 29.54 Favored Pre-proline 0 C--N 1.326 -0.419 0 CA-C-N 116.191 -0.458 . . . . 50.0 111.035 179.575 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -68.08 142.34 55.86 Favored 'Trans proline' 0 C--N 1.35 0.61 0 C-N-CA 116.21 -2.06 . . . . 50.0 112.32 -178.441 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 82.11 -12.24 44.84 Favored Glycine 0 C--O 1.228 -0.249 0 N-CA-C 114.952 0.741 . . . . 25.0 114.952 -179.454 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -112.73 85.9 2.26 Favored 'General case' 0 N--CA 1.466 0.346 0 O-C-N 121.493 -1.004 . . . . 50.0 111.167 -178.374 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 24.6 t80 -54.34 -43.33 71.14 Favored 'General case' 0 C--O 1.217 -0.652 0 N-CA-C 111.903 0.334 . . . . 50.0 111.903 179.469 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 19.8 pt-20 -63.27 -43.12 98.87 Favored 'General case' 0 C--O 1.216 -0.675 0 N-CA-C 113.119 0.785 . . . . 50.0 113.119 -178.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 86.1 mm-40 -69.15 -36.19 77.15 Favored 'General case' 0 CA--C 1.509 -0.62 0 CA-C-O 121.365 0.602 . . . . 50.0 110.281 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -59.02 -36.67 75.36 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.082 -0.71 . . . . 50.0 109.082 175.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 93.0 mm-40 -75.04 -36.01 61.87 Favored 'General case' 0 N--CA 1.47 0.532 0 O-C-N 121.946 -0.472 . . . . 50.0 110.881 -177.133 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 86.0 mt -60.99 -45.24 98.91 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 N-CA-C 108.665 -0.865 . . . . 50.0 108.665 178.187 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 38.7 tp -62.13 -51.01 69.6 Favored 'General case' 0 C--O 1.22 -0.458 0 CA-C-N 116.583 -0.28 . . . . 50.0 111.404 179.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 71.4 mt -56.26 -42.79 74.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 N-CA-C 112.285 0.476 . . . . 50.0 112.285 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 94.8 mtm-85 -62.52 -38.98 92.07 Favored 'General case' 0 N--CA 1.474 0.751 0 O-C-N 121.541 -0.725 . . . . 50.0 110.88 179.43 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 36.7 tp60 -64.48 -39.77 94.42 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.805 0.336 . . . . 25.0 110.181 179.543 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 82.9 mt -64.78 -42.05 95.38 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-O 121.459 0.647 . . . . 50.0 110.849 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -68.73 -35.19 76.81 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 115.787 -0.642 . . . . 50.0 111.385 -176.221 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -64.08 -43.0 96.75 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.256 0.55 . . . . 25.0 110.342 177.132 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 63.0 tp60 -69.56 -35.88 75.8 Favored 'General case' 0 CA--C 1.542 0.648 0 O-C-N 121.755 -0.59 . . . . 25.0 111.357 178.511 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 29.0 t-80 -63.77 -33.93 76.77 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.135 0.493 . . . . 50.0 110.771 177.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 32.6 t80 -61.32 -35.17 76.65 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.383 -0.371 . . . . 25.0 111.428 178.622 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -61.1 -39.61 90.61 Favored 'General case' 0 C--N 1.322 -0.618 0 O-C-N 122.247 -0.283 . . . . 25.0 111.742 178.45 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 66.3 tt0 -63.47 -42.57 98.58 Favored 'General case' 0 N--CA 1.456 -0.135 0 N-CA-C 110.013 -0.365 . . . . 50.0 110.013 179.287 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 33.0 t80 -64.04 -39.86 95.02 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-O 120.682 0.277 . . . . 50.0 111.54 178.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.19 -40.02 95.21 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 121.113 -0.235 . . . . 50.0 111.085 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 72.5 mt-30 -71.34 -34.45 70.54 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.479 0.657 . . . . 25.0 111.052 177.645 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -64.78 -40.9 96.03 Favored 'General case' 0 C--N 1.328 -0.35 0 O-C-N 121.774 -0.579 . . . . 50.0 110.087 178.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 51.0 mt -59.88 -32.75 71.01 Favored 'General case' 0 N--CA 1.47 0.537 0 O-C-N 121.643 -0.661 . . . . 25.0 111.719 -179.376 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -64.58 -40.83 96.25 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-O 121.028 0.442 . . . . 25.0 110.446 177.146 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 81.7 mt-30 -68.76 -37.14 79.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 121.866 -0.522 . . . . 25.0 109.825 179.14 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 88.8 t -67.21 -38.32 80.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 N-CA-C 109.379 -0.6 . . . . 50.0 109.379 179.162 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -60.83 -46.05 92.05 Favored 'General case' 0 N--CA 1.451 -0.405 0 O-C-N 121.982 -0.449 . . . . 50.0 109.903 177.484 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 50.4 mt -66.45 -32.76 74.33 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-O 120.887 0.375 . . . . 25.0 111.645 179.555 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.9 -42.78 99.9 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.203 -0.665 . . . . 25.0 109.203 177.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -66.84 -38.86 87.22 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.154 0.502 . . . . 50.0 110.402 179.457 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -63.01 -48.35 79.18 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.337 -0.392 . . . . 50.0 111.996 178.427 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -67.61 -27.99 67.37 Favored 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 120.045 -0.662 . . . . 50.0 111.186 -177.458 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.35 -35.91 82.42 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 110.376 -0.231 . . . . 25.0 110.376 178.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -81.48 -26.67 35.02 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 116.204 -0.453 . . . . 25.0 111.918 179.613 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 65.2 mt -84.12 -48.19 10.11 Favored 'General case' 0 CA--C 1.514 -0.424 0 N-CA-C 112.51 0.559 . . . . 50.0 112.51 -174.717 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 86.5 mm-40 49.66 37.91 13.91 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 113.254 0.835 . . . . 25.0 113.254 -177.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 55.2 mtpt -91.61 18.85 6.91 Favored 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 114.254 1.205 . . . . 50.0 114.254 -177.231 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 60.6 mm-40 -92.88 82.82 4.69 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.753 -0.832 . . . . 50.0 108.753 176.454 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 16.7 mp0 . . . . . 0 C--O 1.208 -1.091 0 CA-C-O 124.983 2.325 . . . . 25.0 110.252 177.15 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 87.3 mtp . . . . . 0 N--CA 1.499 1.989 0 CA-C-O 123.939 1.828 . . . . 25.0 114.202 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -121.87 39.3 3.91 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 113.965 -1.471 . . . . 25.0 110.143 178.576 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 47.12 64.85 1.41 Allowed 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 115.24 -0.891 . . . . 25.0 112.87 178.519 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 19.1 pttp -48.78 -31.46 7.04 Favored 'General case' 0 C--O 1.215 -0.76 0 N-CA-C 115.797 1.777 . . . . 25.0 115.797 -176.189 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -61.16 -28.56 69.21 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 112.893 0.701 . . . . 25.0 112.893 179.67 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -65.76 -42.78 90.47 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 121.666 0.746 . . . . 50.0 109.693 177.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 30.4 mt -69.18 -40.56 80.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 N-CA-C 108.306 -0.998 . . . . 50.0 108.306 -177.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 74.5 mtp -61.92 -42.23 98.86 Favored 'General case' 0 C--O 1.212 -0.88 0 CA-C-N 116.593 -0.276 . . . . 50.0 110.448 178.154 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.31 -39.65 91.27 Favored 'General case' 0 CA--C 1.537 0.473 0 O-C-N 121.81 -0.556 . . . . 25.0 111.073 179.308 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.71 -46.5 78.73 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 110.322 -0.251 . . . . 25.0 110.322 179.217 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 82.1 mt -63.16 -40.96 99.07 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 120.868 0.366 . . . . 50.0 111.081 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 62.0 m-20 -60.91 -34.25 74.39 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.085 -0.507 . . . . 50.0 110.859 -178.572 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 32.3 m -69.07 -30.01 68.25 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 111.854 0.316 . . . . 25.0 111.854 -179.468 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 94.7 mm-40 -75.78 -38.46 58.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.242 0.544 . . . . 50.0 111.194 -178.423 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 68.5 p -98.52 -3.6 36.14 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 114.283 1.216 . . . . 25.0 114.283 -172.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -41.01 -68.58 0.17 Allowed 'General case' 0 N--CA 1.468 0.471 0 N-CA-C 115.712 1.745 . . . . 25.0 115.712 -172.253 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 10.0 p -71.24 -29.53 36.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 C-N-CA 120.76 -0.376 . . . . 50.0 111.813 -174.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 8.0 tm0? -68.21 -43.13 78.72 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.493 0.663 . . . . 50.0 109.683 -178.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 10.9 m-30 -70.67 -29.62 66.01 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.041 -0.527 . . . . 50.0 109.582 177.263 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 47.3 tt0 -65.7 -37.74 87.3 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 122.178 -0.326 . . . . 50.0 111.106 177.158 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 87.4 mt-30 -64.25 -41.21 97.07 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 110.013 -0.365 . . . . 50.0 110.013 177.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 72.4 t80 -65.75 -43.95 87.41 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.068 0.461 . . . . 50.0 110.482 176.274 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.93 -38.21 87.58 Favored 'General case' 0 C--N 1.323 -0.584 0 O-C-N 121.989 -0.444 . . . . 25.0 111.283 -178.379 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.2 -23.31 62.93 Favored 'General case' 0 C--O 1.217 -0.61 0 CA-C-N 116.772 -0.194 . . . . 25.0 111.116 179.157 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 39.8 tt0 -76.95 -18.71 58.08 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.047 0.451 . . . . 50.0 110.175 178.193 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -100.2 -47.83 4.82 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.143 0.497 . . . . 50.0 111.459 -179.31 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -121.84 69.73 26.85 Favored Pre-proline 0 C--N 1.325 -0.484 0 CA-C-N 116.089 -0.505 . . . . 50.0 110.999 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -66.05 141.87 65.72 Favored 'Trans proline' 0 C--O 1.22 -0.383 0 C-N-CA 116.005 -2.196 . . . . 50.0 113.261 -176.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 80.87 -28.04 2.9 Favored Glycine 0 CA--C 1.523 0.538 0 N-CA-C 115.173 0.829 . . . . 25.0 115.173 -178.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -91.46 86.83 6.19 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 117.841 0.82 . . . . 50.0 110.571 -175.659 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 80.0 t80 -54.8 -45.29 74.33 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.013 -0.539 . . . . 50.0 112.265 -179.43 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -61.27 -46.4 90.49 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 121.838 -0.539 . . . . 50.0 111.847 -178.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 19.7 mm100 -65.77 -38.31 88.69 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 121.924 -0.485 . . . . 50.0 110.734 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -58.54 -38.4 77.71 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.014 -0.736 . . . . 50.0 109.014 177.194 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 93.5 mm-40 -73.74 -36.02 65.1 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 120.948 -0.301 . . . . 50.0 111.173 -176.465 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 81.9 mt -61.18 -47.32 94.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 108.142 -1.059 . . . . 50.0 108.142 176.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 31.5 tp -62.32 -46.56 88.16 Favored 'General case' 0 C--O 1.218 -0.582 0 CA-C-N 116.193 -0.458 . . . . 50.0 111.754 -178.72 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 52.1 mt -57.13 -42.17 79.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 122.319 -0.238 . . . . 50.0 110.499 178.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 95.5 mtm-85 -66.24 -35.66 81.01 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.151 -0.62 . . . . 50.0 111.537 178.441 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 55.6 mt-30 -65.07 -40.42 94.67 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 117.906 0.321 . . . . 25.0 110.228 176.506 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 81.9 mt -62.45 -46.66 87.5 Favored 'General case' 0 C--O 1.217 -0.656 0 N-CA-C 108.783 -0.821 . . . . 50.0 108.783 178.442 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -64.49 -34.92 79.33 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 111.976 0.361 . . . . 50.0 111.976 -177.539 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.3 tm-20 -67.06 -48.41 68.33 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.749 -0.463 . . . . 25.0 109.749 176.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 37.9 tp60 -63.43 -39.94 95.82 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.085 0.469 . . . . 25.0 111.241 179.738 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 87.2 m-70 -72.69 -16.92 61.67 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 121.955 -0.466 . . . . 50.0 111.583 178.642 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 65.1 t80 -68.38 -37.37 80.34 Favored 'General case' 0 C--N 1.327 -0.396 0 O-C-N 121.381 -0.824 . . . . 25.0 108.87 173.655 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 70.0 mm-40 -64.15 -42.52 96.74 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 108.757 -0.831 . . . . 25.0 108.757 177.291 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 42.5 tt0 -61.83 -41.08 97.35 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.126 -0.488 . . . . 50.0 110.458 177.116 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 35.8 t80 -63.49 -36.69 84.61 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.766 0.317 . . . . 50.0 110.802 179.685 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.11 -39.87 90.26 Favored 'General case' 0 C--N 1.323 -0.583 0 O-C-N 122.023 -0.423 . . . . 50.0 110.552 177.535 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 91.3 mt-30 -66.58 -39.22 88.35 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.769 0.319 . . . . 25.0 110.185 176.658 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 66.1 tt0 -64.58 -41.61 96.15 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 110.395 -0.224 . . . . 50.0 110.395 179.295 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 21.9 mt -62.72 -30.86 71.73 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 122.168 -0.333 . . . . 25.0 111.603 179.481 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -66.21 -38.95 89.18 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.83 0.348 . . . . 25.0 110.358 175.537 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -66.3 -37.94 86.6 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.838 -0.43 . . . . 25.0 109.838 177.459 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 93.0 t -67.56 -41.98 86.34 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 N-CA-C 108.404 -0.962 . . . . 50.0 108.404 179.471 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -58.76 -50.55 73.52 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.932 0.396 . . . . 50.0 111.74 178.28 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.3 pp -70.0 -27.48 64.73 Favored 'General case' 0 C--N 1.321 -0.654 0 O-C-N 122.218 -0.301 . . . . 25.0 111.435 -176.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.17 -43.12 99.53 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 108.321 -0.992 . . . . 25.0 108.321 175.532 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 84.2 mt-30 -65.96 -33.96 77.02 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.148 -0.478 . . . . 50.0 110.187 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -61.54 -50.23 73.5 Favored 'General case' 0 N--CA 1.465 0.295 0 N-CA-C 110.365 -0.235 . . . . 50.0 110.365 177.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -68.39 -32.47 72.56 Favored 'General case' 0 N--CA 1.465 0.31 0 O-C-N 121.66 -0.65 . . . . 50.0 111.034 -178.016 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.24 -34.35 77.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.518 0.199 . . . . 25.0 110.749 178.579 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -80.25 -22.84 41.3 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 111.966 0.358 . . . . 25.0 111.966 178.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 60.0 mt -90.69 -44.64 9.36 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 113.209 0.818 . . . . 50.0 113.209 -175.228 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 89.5 mm-40 52.12 33.23 11.8 Favored 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 113.509 0.929 . . . . 25.0 113.509 -179.143 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -101.28 16.34 25.84 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 112.923 0.712 . . . . 50.0 112.923 -178.051 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -107.87 74.02 0.93 Allowed 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.723 0.773 . . . . 50.0 110.02 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 24.8 mp0 . . . . . 0 N--CA 1.481 1.077 0 CA-C-O 125.915 2.769 . . . . 25.0 112.545 179.563 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.6 ptt? . . . . . 0 N--CA 1.489 1.482 0 CA-C-O 125.263 2.458 . . . . 25.0 112.108 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 50.5 mt-30 -90.92 -6.18 54.47 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 112.691 -2.049 . . . . 25.0 112.492 -176.167 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 52.7 mt-30 -76.31 116.56 17.11 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 121.889 -0.507 . . . . 25.0 110.006 -179.224 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -116.32 -36.66 3.96 Favored 'General case' 0 C--N 1.316 -0.881 0 N-CA-C 114.205 1.187 . . . . 25.0 114.205 179.606 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -60.84 -31.69 71.12 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-N 119.077 0.853 . . . . 25.0 112.122 -179.051 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -55.99 -39.79 72.36 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-O 121.598 0.713 . . . . 50.0 111.258 177.173 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 29.0 mt -77.73 -43.08 29.4 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.779 0 N-CA-C 108.944 -0.761 . . . . 50.0 108.944 -178.218 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 83.7 mtp -61.82 -39.03 90.35 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.894 -0.593 . . . . 50.0 111.974 -177.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.17 -41.68 89.01 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-O 121.307 0.575 . . . . 25.0 111.665 179.349 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.31 -40.9 90.25 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.985 -0.552 . . . . 25.0 111.804 -179.311 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 89.0 mt -66.46 -40.67 89.51 Favored 'General case' 0 C--O 1.223 -0.314 0 CA-C-O 120.737 0.304 . . . . 50.0 110.441 177.569 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -59.0 -35.17 72.79 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 115.959 -0.564 . . . . 50.0 110.604 -177.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 36.2 t -62.83 -44.36 96.36 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 111.953 0.353 . . . . 25.0 111.953 -179.752 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 97.1 mm-40 -68.97 -30.69 69.17 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.165 0.507 . . . . 50.0 111.89 -176.151 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 41.4 p -103.81 5.29 35.87 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 113.021 0.748 . . . . 25.0 113.021 -174.681 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.72 -69.55 0.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 114.342 1.238 . . . . 25.0 114.342 -171.378 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.2 p -70.59 -26.51 28.66 Favored 'Isoleucine or valine' 0 C--O 1.237 0.396 0 CA-C-N 116.13 -0.486 . . . . 50.0 110.702 -176.307 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 48.2 tt0 -62.08 -50.63 71.2 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.331 -0.395 . . . . 50.0 110.318 178.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 14.8 m-30 -72.97 -28.58 62.48 Favored 'General case' 0 C--O 1.216 -0.692 0 N-CA-C 109.89 -0.411 . . . . 50.0 109.89 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 31.3 tt0 -63.8 -42.48 97.69 Favored 'General case' 0 C--O 1.22 -0.482 0 CA-C-N 117.997 0.362 . . . . 50.0 111.783 178.01 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 60.0 mm-40 -68.08 -41.42 81.92 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.255 -0.646 . . . . 50.0 109.255 178.412 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 77.9 t80 -59.79 -42.78 94.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.172 0.511 . . . . 50.0 111.479 177.691 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.19 -35.58 79.94 Favored 'General case' 0 C--N 1.323 -0.582 0 O-C-N 121.989 -0.444 . . . . 25.0 111.288 -178.148 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.79 -28.39 68.35 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.581 -0.526 . . . . 25.0 109.581 176.575 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 38.4 tt0 -81.38 -5.96 58.42 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 122.487 0.315 . . . . 50.0 110.719 -179.089 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 59.3 mm-40 -109.66 -47.07 3.41 Favored 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 112.615 0.598 . . . . 50.0 112.615 176.201 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -120.8 70.49 18.47 Favored Pre-proline 0 N--CA 1.466 0.342 0 CA-C-O 120.864 0.364 . . . . 50.0 110.047 179.737 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 67.7 Cg_endo -67.91 141.85 55.07 Favored 'Trans proline' 0 CA--C 1.54 0.8 0 C-N-CA 116.097 -2.135 . . . . 50.0 112.433 -179.342 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 84.88 -15.97 39.81 Favored Glycine 0 C--O 1.222 -0.656 0 N-CA-C 115.096 0.798 . . . . 25.0 115.096 -178.51 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 17.7 m120 -110.17 85.61 2.14 Favored 'General case' 0 CA--C 1.511 -0.547 0 CA-C-N 118.429 1.114 . . . . 50.0 112.115 -177.291 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 62.2 t80 -54.96 -45.07 74.89 Favored 'General case' 0 C--O 1.219 -0.521 0 CA-C-N 116.096 -0.502 . . . . 50.0 111.987 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -59.42 -45.67 90.89 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.536 -0.466 . . . . 50.0 111.926 -179.042 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 77.0 mm-40 -69.66 -35.03 74.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 121.422 -0.799 . . . . 50.0 110.775 -179.581 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -58.53 -37.75 76.29 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.559 -0.534 . . . . 50.0 109.559 176.536 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 87.5 mm-40 -72.67 -38.42 67.62 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 120.519 -0.473 . . . . 50.0 110.991 -177.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 80.1 mt -61.94 -44.14 98.49 Favored 'Isoleucine or valine' 0 C--O 1.238 0.471 0 N-CA-C 109.38 -0.6 . . . . 50.0 109.38 178.211 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 32.3 tp -62.18 -48.52 79.66 Favored 'General case' 0 C--O 1.219 -0.54 0 CA-C-N 115.839 -0.619 . . . . 50.0 111.167 179.445 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 58.9 mt -58.63 -40.58 79.64 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 N-CA-C 109.523 -0.547 . . . . 50.0 109.523 178.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 55.1 ttt85 -57.4 -44.77 84.84 Favored 'General case' 0 N--CA 1.474 0.725 0 O-C-N 122.013 -0.429 . . . . 50.0 110.352 177.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -64.95 -40.91 95.74 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 112.239 0.459 . . . . 25.0 112.239 175.264 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 95.9 mt -62.0 -42.97 99.74 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.455 -0.498 . . . . 50.0 110.706 -178.438 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 34.3 mm-40 -66.8 -39.19 87.67 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.487 0.184 . . . . 50.0 111.159 -178.626 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -67.46 -39.54 85.31 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.417 -0.586 . . . . 25.0 109.417 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 69.0 tp60 -67.63 -43.08 81.21 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 112.751 0.648 . . . . 25.0 112.751 178.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 57.5 m80 -67.11 -29.33 69.05 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 120.51 -0.476 . . . . 50.0 110.759 179.631 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 49.0 t80 -62.97 -31.45 72.57 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 112.718 0.636 . . . . 25.0 112.718 174.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 79.4 mm-40 -66.1 -36.27 82.73 Favored 'General case' 0 N--CA 1.468 0.44 0 O-C-N 121.551 -0.718 . . . . 25.0 110.558 -179.692 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 37.4 tt0 -60.92 -39.37 89.15 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.999 0.428 . . . . 50.0 110.167 176.085 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 35.7 t80 -64.77 -41.46 95.86 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.008 0.432 . . . . 50.0 110.057 178.088 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.35 -39.56 92.49 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.822 -0.351 . . . . 50.0 111.363 177.62 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -66.1 -40.47 90.79 Favored 'General case' 0 C--N 1.327 -0.392 0 O-C-N 122.35 -0.219 . . . . 25.0 111.073 178.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 9.1 tp-100 -61.79 -43.4 98.92 Favored 'General case' 0 C--O 1.22 -0.485 0 N-CA-C 109.595 -0.52 . . . . 50.0 109.595 178.437 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 65.9 mt -63.31 -28.13 69.8 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 111.861 0.319 . . . . 25.0 111.861 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -69.22 -37.61 78.12 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 110.007 -0.368 . . . . 25.0 110.007 178.03 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 -69.59 -36.15 75.98 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-O 121.146 0.498 . . . . 25.0 110.018 177.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 84.9 t -67.36 -40.5 84.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.648 -0.705 . . . . 50.0 109.321 178.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 3.8 mm100 -59.69 -46.07 90.19 Favored 'General case' 0 CA--C 1.516 -0.361 0 CA-C-O 121.188 0.518 . . . . 50.0 111.003 175.12 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 31.6 mt -65.03 -35.98 82.91 Favored 'General case' 0 C--O 1.215 -0.743 0 C-N-CA 120.419 -0.512 . . . . 25.0 111.871 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.65 -39.53 84.7 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-O 121.088 0.47 . . . . 25.0 110.245 179.573 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 92.5 mt-30 -68.37 -37.52 80.5 Favored 'General case' 0 N--CA 1.443 -0.798 0 CA-C-N 116.111 -0.495 . . . . 50.0 109.971 178.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 71.9 mt-30 -65.41 -40.42 93.37 Favored 'General case' 0 N--CA 1.471 0.589 0 O-C-N 121.738 -0.601 . . . . 50.0 110.546 175.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -60.46 -38.62 84.78 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.429 0.633 . . . . 50.0 111.304 179.078 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -62.11 -32.33 72.88 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.764 -0.653 . . . . 25.0 111.802 -177.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -88.95 -31.2 18.27 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 113.09 0.774 . . . . 25.0 113.09 -179.719 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 63.2 mt -84.98 -43.15 14.25 Favored 'General case' 0 CA--C 1.51 -0.587 0 O-C-N 122.281 -0.262 . . . . 50.0 111.49 -173.676 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 66.7 mt-30 44.3 38.45 2.47 Favored 'General case' 0 CA--C 1.545 0.773 0 O-C-N 124.747 1.279 . . . . 25.0 112.265 -177.087 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 60.0 mmtt -85.76 75.18 10.1 Favored 'General case' 0 C--O 1.219 -0.525 0 CA-C-N 115.411 -0.813 . . . . 50.0 108.926 -178.376 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 16.8 pt20 -115.64 32.23 6.21 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-O 122.128 0.966 . . . . 50.0 111.122 -178.402 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 7.7 mp0 . . . . . 0 N--CA 1.492 1.666 0 C-N-CA 126.153 1.781 . . . . 25.0 113.842 178.541 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.7 mpt? . . . . . 0 N--CA 1.491 1.615 0 CA-C-O 125.443 2.544 . . . . 25.0 111.641 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -69.33 158.93 34.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 112.101 -2.318 . . . . 25.0 108.871 178.226 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 72.1 mt-30 63.1 0.99 0.81 Allowed 'General case' 0 N--CA 1.478 0.963 0 N-CA-C 115.868 1.803 . . . . 25.0 115.868 179.473 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 60.6 tttm -50.98 -44.07 60.7 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 122.979 0.512 . . . . 25.0 111.943 175.671 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.8 tm0? -60.29 -35.05 74.68 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 112.924 0.713 . . . . 25.0 112.924 -177.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -65.61 -40.72 92.95 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.422 0.63 . . . . 50.0 110.898 -178.685 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 8.8 mt -68.68 -40.38 81.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 108.491 -0.929 . . . . 50.0 108.491 -179.014 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 83.9 mtp -63.69 -37.52 87.66 Favored 'General case' 0 C--O 1.22 -0.458 0 CA-C-N 116.315 -0.402 . . . . 50.0 110.948 178.496 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.01 -37.07 83.47 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.703 0.287 . . . . 25.0 110.477 179.411 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.75 -44.56 89.7 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 110.095 -0.335 . . . . 25.0 110.095 177.684 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 90.5 mt -64.34 -38.67 91.86 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-O 120.658 0.266 . . . . 50.0 110.592 178.639 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -64.09 -39.34 93.85 Favored 'General case' 0 C--O 1.22 -0.493 0 N-CA-C 109.421 -0.585 . . . . 50.0 109.421 -179.518 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 33.4 t -63.3 -41.72 98.98 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.141 0.496 . . . . 25.0 110.759 179.444 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 91.3 mm-40 -69.67 -37.68 76.77 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.952 0.723 . . . . 50.0 112.952 -179.499 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 74.4 p -105.94 -1.19 24.36 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 116.415 2.006 . . . . 25.0 116.415 -169.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -49.32 -68.1 0.21 Allowed 'General case' 0 CA--C 1.543 0.688 0 N-CA-C 114.086 1.143 . . . . 25.0 114.086 -176.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 8.4 p -69.56 -27.99 36.02 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.452 0 O-C-N 121.951 -0.468 . . . . 50.0 110.797 -177.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 48.7 tt0 -63.5 -48.0 79.38 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.477 0.656 . . . . 50.0 110.224 -179.37 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 14.6 m-30 -76.14 -23.77 54.83 Favored 'General case' 0 C--O 1.218 -0.571 0 CA-C-N 115.978 -0.555 . . . . 50.0 110.545 -179.428 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 43.3 tt0 -61.77 -38.4 87.91 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 122.174 -0.329 . . . . 50.0 111.103 177.273 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -64.32 -42.72 96.18 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 121.072 0.463 . . . . 50.0 109.987 179.283 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 75.1 t80 -66.86 -40.61 87.93 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.201 0.524 . . . . 50.0 111.047 178.041 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.6 -38.51 91.41 Favored 'General case' 0 C--N 1.322 -0.601 0 O-C-N 121.997 -0.439 . . . . 25.0 110.625 -179.087 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.3 -25.92 64.47 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.721 -0.218 . . . . 25.0 110.638 178.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 42.9 tt0 -75.4 -23.22 57.01 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.964 0.412 . . . . 50.0 110.643 179.11 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 10.7 mm-40 -96.8 -46.95 6.05 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 116.096 -0.502 . . . . 50.0 112.32 -178.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -121.73 70.23 26.62 Favored Pre-proline 0 C--O 1.24 0.555 0 N-CA-C 109.736 -0.468 . . . . 50.0 109.736 -179.434 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_endo -66.9 139.44 51.7 Favored 'Trans proline' 0 C--O 1.221 -0.34 0 C-N-CA 116.363 -1.958 . . . . 50.0 113.133 -175.448 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 80.39 -24.54 3.57 Favored Glycine 0 CA--C 1.522 0.486 0 N-CA-C 114.989 0.756 . . . . 25.0 114.989 -178.676 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 21.4 m120 -90.24 84.62 6.09 Favored 'General case' 0 CA--C 1.512 -0.488 0 CA-C-N 118.02 0.91 . . . . 50.0 109.871 -176.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 79.7 t80 -55.17 -45.6 75.75 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.772 -0.194 . . . . 50.0 111.466 -179.156 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -58.58 -45.7 88.48 Favored 'General case' 0 C--N 1.323 -0.576 0 O-C-N 121.995 -0.441 . . . . 50.0 111.857 -179.445 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 97.0 mm-40 -72.56 -34.12 67.28 Favored 'General case' 0 CA--C 1.504 -0.813 0 O-C-N 121.814 -0.554 . . . . 50.0 111.165 -176.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 53.9 mt-30 -57.28 -37.51 72.5 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 108.698 -0.852 . . . . 50.0 108.698 175.317 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -75.64 -38.01 59.21 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.7 -0.4 . . . . 50.0 111.372 -177.68 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 65.1 mt -61.85 -40.02 85.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 N-CA-C 108.981 -0.748 . . . . 50.0 108.981 176.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 26.9 tp -65.52 -51.22 61.51 Favored 'General case' 0 C--O 1.219 -0.541 0 O-C-N 122.185 -0.322 . . . . 50.0 110.914 178.654 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 61.7 mt -56.88 -39.52 65.52 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 CA-C-O 120.568 0.223 . . . . 50.0 110.613 178.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 79.4 ttt180 -57.0 -41.0 77.68 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 122.006 -0.434 . . . . 50.0 111.241 177.603 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -72.9 -40.56 65.44 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.928 -0.123 . . . . 25.0 111.265 178.533 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 87.6 mt -61.04 -41.0 95.75 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-O 121.088 0.47 . . . . 50.0 110.286 -179.039 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -68.72 -34.39 75.54 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 111.928 0.344 . . . . 50.0 111.928 -178.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -71.1 -41.92 69.97 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.535 -0.542 . . . . 25.0 109.535 176.127 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 16.2 tm0? -60.66 -42.52 97.19 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.769 -0.456 . . . . 25.0 109.769 178.129 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 23.2 t-160 -61.57 -40.16 93.76 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.666 -0.494 . . . . 50.0 109.666 177.45 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 73.3 t80 -64.26 -40.45 96.02 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 121.939 -0.475 . . . . 25.0 112.176 177.211 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 91.4 mm-40 -63.21 -41.34 99.14 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.562 -0.533 . . . . 25.0 109.562 178.537 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 17.6 tm0? -63.52 -42.29 98.47 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.7 -0.481 . . . . 50.0 109.7 177.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 38.3 t80 -60.42 -40.29 90.5 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.041 0.448 . . . . 50.0 111.304 178.003 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.31 -40.35 86.0 Favored 'General case' 0 C--N 1.322 -0.588 0 O-C-N 121.932 -0.48 . . . . 50.0 111.618 179.425 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -65.59 -38.99 91.08 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.696 -0.483 . . . . 25.0 109.696 177.381 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -64.11 -45.46 88.48 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.501 0.191 . . . . 50.0 110.866 179.056 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 37.6 mt -62.51 -31.3 72.04 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.058 0.392 . . . . 25.0 112.058 -178.404 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -63.26 -38.89 92.92 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.018 0.437 . . . . 25.0 110.676 176.197 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 80.8 mt-30 -69.54 -36.0 75.98 Favored 'General case' 0 C--O 1.22 -0.478 0 O-C-N 122.086 -0.384 . . . . 25.0 110.357 178.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 87.9 t -68.48 -41.03 82.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 N-CA-C 108.751 -0.833 . . . . 50.0 108.751 179.422 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 8.4 mm-40 -57.5 -52.61 64.7 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.418 0.627 . . . . 50.0 111.793 177.032 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.2 pp -70.38 -27.34 64.23 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.977 -0.556 . . . . 25.0 112.281 -176.413 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.23 -41.31 88.4 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.325 -0.62 . . . . 25.0 109.325 177.085 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 81.0 mt-30 -66.01 -36.79 84.22 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.295 -0.632 . . . . 50.0 109.295 -179.09 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 12.7 mm-40 -64.83 -47.22 78.8 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.118 -0.492 . . . . 50.0 111.645 -179.522 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -67.08 -30.85 71.0 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 121.72 -0.612 . . . . 50.0 110.84 -177.163 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.71 -32.09 73.44 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-O 120.716 0.293 . . . . 25.0 111.11 177.432 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -83.79 -30.22 26.76 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 112.053 0.39 . . . . 25.0 112.053 179.464 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 75.9 mt -87.21 -42.08 13.24 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.195 0.442 . . . . 50.0 112.195 -174.516 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 50.38 37.13 14.64 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-O 121.932 0.872 . . . . 25.0 111.778 179.492 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 13.0 mptt -121.45 29.19 7.35 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-O 121.727 0.775 . . . . 50.0 110.924 -176.196 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 15.0 pt20 -77.37 61.72 2.24 Favored 'General case' 0 CA--C 1.545 0.752 0 CA-C-O 122.184 0.992 . . . . 50.0 113.044 -178.371 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 . . . . . 0 C--O 1.209 -1.03 0 C-N-CA 125.803 1.641 . . . . 25.0 112.634 178.542 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.473 0.706 0 CA-C-O 124.34 2.019 . . . . 25.0 115.712 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 5.0 pm0 -85.72 128.6 34.84 Favored 'General case' 0 CA--C 1.54 0.576 0 O-C-N 120.678 -1.264 . . . . 25.0 108.676 174.46 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -95.77 100.78 12.45 Favored 'General case' 0 C--N 1.322 -0.6 0 O-C-N 121.508 -0.745 . . . . 25.0 111.714 -177.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 59.4 mtpt -55.11 -32.51 62.09 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 114.139 1.163 . . . . 25.0 114.139 -179.144 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 20.0 pt20 -63.97 -25.06 67.97 Favored 'General case' 0 C--O 1.216 -0.683 0 N-CA-C 113.83 1.048 . . . . 25.0 113.83 -178.505 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 99.4 mt-30 -66.02 -42.62 89.39 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 121.84 0.829 . . . . 50.0 109.203 178.36 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 42.3 mt -65.63 -40.66 88.63 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.814 0 CA-C-N 114.999 -1.0 . . . . 50.0 109.673 -177.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 69.7 mtp -65.22 -39.42 92.73 Favored 'General case' 0 C--O 1.223 -0.321 0 CA-C-N 115.962 -0.563 . . . . 50.0 110.278 178.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.0 -41.35 97.95 Favored 'General case' 0 CA--C 1.535 0.393 0 O-C-N 122.099 -0.376 . . . . 25.0 110.754 179.613 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.61 -48.04 76.39 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.124 0.488 . . . . 25.0 111.142 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 82.9 mt -64.89 -33.45 76.04 Favored 'General case' 0 C--O 1.221 -0.44 0 CA-C-N 115.698 -0.683 . . . . 50.0 110.831 -178.017 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 43.3 m-20 -65.97 -37.05 85.0 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.561 -0.456 . . . . 50.0 110.767 -178.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 54.6 m -66.02 -36.17 82.53 Favored 'General case' 0 C--O 1.222 -0.346 0 O-C-N 122.055 -0.403 . . . . 25.0 111.393 177.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 80.2 mt-30 -72.39 -21.16 61.32 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 112.45 0.537 . . . . 50.0 112.45 -178.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 57.5 p -114.61 0.08 13.82 Favored 'General case' 0 C--N 1.316 -0.873 0 N-CA-C 112.692 0.627 . . . . 25.0 112.692 -172.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -50.16 -66.1 0.45 Allowed 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 113.569 0.952 . . . . 25.0 113.569 -176.356 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.9 p -77.89 -27.47 15.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-O 121.481 0.658 . . . . 50.0 110.654 -179.202 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -61.97 -46.58 88.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 121.699 -0.626 . . . . 50.0 111.353 -176.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 17.4 m-30 -81.58 -19.84 41.11 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.497 -0.557 . . . . 50.0 109.497 -178.655 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 60.0 tt0 -64.79 -41.38 95.87 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 120.417 -0.513 . . . . 50.0 111.204 178.477 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -61.95 -40.45 95.57 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.802 -0.359 . . . . 50.0 110.131 178.716 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 71.7 t80 -67.53 -41.31 84.54 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.083 0.468 . . . . 50.0 111.354 176.543 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.02 -37.6 83.12 Favored 'General case' 0 N--CA 1.448 -0.569 0 O-C-N 122.178 -0.326 . . . . 25.0 111.154 -179.718 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.57 -24.72 66.39 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 111.967 0.358 . . . . 25.0 111.967 179.627 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.66 -25.05 38.51 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.794 -0.447 . . . . 50.0 109.794 -179.125 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 29.3 mm-40 -91.38 -44.31 9.23 Favored 'General case' 0 C--O 1.217 -0.648 0 N-CA-C 112.055 0.391 . . . . 50.0 112.055 -179.359 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -122.85 69.69 36.92 Favored Pre-proline 0 C--N 1.325 -0.476 0 CA-C-O 121.402 0.62 . . . . 50.0 110.482 -178.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -68.99 138.08 39.38 Favored 'Trans proline' 0 C--O 1.218 -0.504 0 C-N-CA 116.692 -1.739 . . . . 50.0 112.983 -176.038 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 84.55 -13.39 52.23 Favored Glycine 0 C--O 1.22 -0.759 0 N-CA-C 115.101 0.801 . . . . 25.0 115.101 -179.56 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -107.53 87.42 2.5 Favored 'General case' 0 CA--C 1.503 -0.846 0 O-C-N 122.084 -0.656 . . . . 50.0 111.001 -176.307 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 28.7 t80 -56.14 -43.82 78.63 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.278 -0.874 . . . . 50.0 111.102 -179.583 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -60.24 -47.37 86.29 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.5 -0.318 . . . . 50.0 111.809 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -69.51 -34.45 74.3 Favored 'General case' 0 CA--C 1.505 -0.76 0 O-C-N 121.533 -0.729 . . . . 50.0 110.798 -177.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 68.7 mt-30 -60.36 -37.32 80.34 Favored 'General case' 0 C--N 1.315 -0.923 0 N-CA-C 109.916 -0.401 . . . . 50.0 109.916 177.039 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 93.2 mm-40 -71.18 -40.12 71.42 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-O 121.643 0.735 . . . . 50.0 109.657 -178.461 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 86.1 mt -61.87 -42.72 95.71 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 N-CA-C 109.438 -0.578 . . . . 50.0 109.438 178.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 25.4 tp -64.02 -46.84 82.67 Favored 'General case' 0 C--O 1.221 -0.417 0 CA-C-O 120.608 0.242 . . . . 50.0 111.418 -178.426 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 45.7 mt -55.98 -40.19 61.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 N-CA-C 110.139 -0.319 . . . . 50.0 110.139 177.516 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 7.0 tmm_? -62.45 -41.67 98.91 Favored 'General case' 0 N--CA 1.48 1.043 0 O-C-N 121.852 -0.53 . . . . 50.0 111.46 177.165 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -62.37 -43.28 99.2 Favored 'General case' 0 C--O 1.238 0.46 0 CA-C-O 121.444 0.64 . . . . 25.0 110.973 177.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 88.8 mt -67.25 -38.88 85.9 Favored 'General case' 0 C--O 1.244 0.813 0 CA-C-N 115.643 -0.708 . . . . 50.0 110.21 -177.546 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -69.74 -34.75 74.27 Favored 'General case' 0 C--N 1.322 -0.593 0 O-C-N 122.344 -0.222 . . . . 50.0 111.165 -179.703 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -67.01 -41.0 87.43 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-O 121.492 0.663 . . . . 25.0 110.512 176.472 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 47.7 tp60 -66.88 -41.07 87.83 Favored 'General case' 0 C--N 1.318 -0.762 0 O-C-N 121.763 -0.586 . . . . 25.0 110.88 178.045 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 41.1 t-80 -64.02 -34.43 77.99 Favored 'General case' 0 N--CA 1.451 -0.42 0 O-C-N 122.14 -0.35 . . . . 50.0 111.489 177.342 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 72.3 t80 -62.17 -37.54 85.64 Favored 'General case' 0 C--O 1.241 0.625 0 C-N-CA 120.261 -0.576 . . . . 25.0 111.093 177.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 -65.34 -42.59 92.73 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.902 -0.407 . . . . 25.0 109.902 178.744 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -62.93 -43.63 98.28 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.284 -0.636 . . . . 50.0 109.284 178.301 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 39.7 t80 -60.36 -41.7 94.24 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.552 -0.295 . . . . 50.0 110.852 179.636 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.9 -39.6 90.74 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.778 -0.369 . . . . 50.0 111.447 178.543 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 31.1 tt0 -63.46 -43.39 97.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.469 . . . . 25.0 110.204 177.407 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 60.0 tp60 -62.87 -43.99 97.31 Favored 'General case' 0 C--O 1.238 0.452 0 O-C-N 121.654 -0.654 . . . . 50.0 110.103 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 53.4 mt -60.64 -33.39 72.71 Favored 'General case' 0 C--O 1.211 -0.942 0 CA-C-N 116.614 -0.266 . . . . 25.0 111.224 178.248 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -67.33 -38.5 84.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 122.111 -0.368 . . . . 25.0 110.079 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 70.3 mt-30 -72.21 -32.97 67.25 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 121.176 0.512 . . . . 25.0 110.939 178.531 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 73.1 t -69.9 -38.82 76.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 108.12 -1.067 . . . . 50.0 108.12 177.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 -58.33 -48.4 80.66 Favored 'General case' 0 C--O 1.215 -0.754 0 O-C-N 121.695 -0.628 . . . . 50.0 109.681 176.392 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 45.5 mt -61.78 -38.82 89.47 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.646 0.26 . . . . 25.0 111.24 179.508 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.83 -45.16 90.68 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.667 -0.494 . . . . 25.0 109.667 178.192 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 85.2 mt-30 -67.49 -36.79 81.77 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 116.021 -0.536 . . . . 50.0 111.034 -179.341 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -65.52 -46.12 80.85 Favored 'General case' 0 C--O 1.22 -0.491 0 N-CA-C 109.869 -0.419 . . . . 50.0 109.869 179.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -69.32 -25.36 64.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 120.88 -1.137 . . . . 50.0 111.949 179.2 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -72.28 -34.47 68.22 Favored 'General case' 0 C--O 1.213 -0.853 0 N-CA-C 109.358 -0.608 . . . . 25.0 109.358 177.593 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -70.28 -41.3 73.58 Favored 'General case' 0 N--CA 1.443 -0.787 0 CA-C-O 120.929 0.395 . . . . 25.0 110.16 178.164 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 88.7 mt -70.5 -42.96 70.65 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.025 -0.534 . . . . 50.0 111.275 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 41.31 36.01 0.47 Allowed 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 125.224 1.41 . . . . 25.0 114.163 -176.264 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 5.9 tmtt? -124.66 32.85 5.36 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-N 115.863 -0.608 . . . . 50.0 112.299 -177.274 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 58.85 52.12 6.84 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-O 122.766 1.269 . . . . 50.0 110.795 -176.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 82.2 mt-30 . . . . . 0 C--O 1.211 -0.947 0 CA-C-N 113.573 -1.649 . . . . 25.0 110.761 -177.958 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 84.8 mtp . . . . . 0 C--O 1.209 -1.033 0 CA-C-O 122.521 1.153 . . . . 25.0 113.245 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 23.5 pt20 -156.26 172.88 17.71 Favored 'General case' 0 C--O 1.219 -0.503 0 N-CA-C 108.085 -1.08 . . . . 25.0 108.085 -177.409 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 53.77 33.96 18.04 Favored 'General case' 0 N--CA 1.474 0.746 0 N-CA-C 113.659 0.985 . . . . 25.0 113.659 179.06 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 55.3 mtpt -61.43 -30.97 70.91 Favored 'General case' 0 N--CA 1.473 0.698 0 O-C-N 121.86 -0.525 . . . . 25.0 112.245 179.495 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 55.0 tp60 -67.2 -30.16 70.02 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 112.62 0.6 . . . . 25.0 112.62 179.434 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -63.94 -36.76 85.01 Favored 'General case' 0 CA--C 1.511 -0.539 0 CA-C-O 121.552 0.692 . . . . 50.0 109.437 178.636 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 36.4 mt -70.48 -43.81 77.65 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.92 0 CA-C-N 115.002 -0.999 . . . . 50.0 108.922 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 94.3 mmm -61.24 -35.52 77.46 Favored 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 112.343 0.497 . . . . 50.0 112.343 177.228 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.72 -41.57 78.84 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.583 -0.525 . . . . 25.0 109.583 177.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.78 -44.14 86.64 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-O 120.978 0.418 . . . . 25.0 110.064 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 94.7 mt -64.72 -30.43 71.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.454 -0.339 . . . . 50.0 111.026 179.501 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -60.05 -43.76 95.15 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 120.729 0.3 . . . . 50.0 110.431 179.118 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 24.8 m -68.7 -36.91 79.07 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 116.428 -0.351 . . . . 25.0 111.427 178.7 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -72.16 -23.99 61.37 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 113.37 0.878 . . . . 50.0 113.37 -177.484 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 72.3 p -113.71 -3.07 13.58 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 113.849 1.055 . . . . 25.0 113.849 -173.162 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -48.35 -71.2 0.07 Allowed 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 114.962 1.467 . . . . 25.0 114.962 -172.546 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.9 p -70.57 -28.59 35.15 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 CA-C-O 121.223 0.535 . . . . 50.0 110.759 -176.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -60.47 -48.32 82.29 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.409 0.623 . . . . 50.0 110.761 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 15.8 m-30 -80.31 -24.02 40.25 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.363 -0.38 . . . . 50.0 111.041 -179.255 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 41.4 tt0 -61.24 -39.74 91.44 Favored 'General case' 0 N--CA 1.47 0.57 0 O-C-N 121.76 -0.588 . . . . 50.0 111.321 176.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -60.76 -46.13 91.63 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 120.994 0.426 . . . . 50.0 110.281 177.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 85.2 t80 -66.35 -36.45 82.93 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 120.975 0.417 . . . . 50.0 111.818 178.417 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.19 -38.16 90.06 Favored 'General case' 0 C--N 1.32 -0.682 0 O-C-N 122.152 -0.343 . . . . 25.0 110.181 -178.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.39 -29.08 65.63 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 110.118 -0.327 . . . . 25.0 110.118 177.248 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 32.7 tt0 -70.58 -16.15 62.83 Favored 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 112.393 0.516 . . . . 50.0 112.393 176.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 67.7 mm-40 -106.34 -50.37 3.16 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 112.402 0.519 . . . . 50.0 112.402 178.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 16.6 m-85 -121.66 69.98 25.52 Favored Pre-proline 0 C--O 1.241 0.619 0 C-N-CA 122.364 0.266 . . . . 50.0 110.638 -176.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -68.25 141.75 53.02 Favored 'Trans proline' 0 C--N 1.351 0.691 0 C-N-CA 115.702 -2.399 . . . . 50.0 112.66 -177.497 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 85.84 -22.12 12.74 Favored Glycine 0 C--N 1.332 0.323 0 C-N-CA 121.259 -0.496 . . . . 25.0 114.067 -179.014 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 10.6 m120 -100.54 86.04 3.06 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 118.713 1.256 . . . . 50.0 111.675 -175.336 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 79.2 t80 -54.83 -47.13 74.49 Favored 'General case' 0 N--CA 1.469 0.521 0 N-CA-C 112.009 0.374 . . . . 50.0 112.009 -178.479 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -59.47 -46.08 89.82 Favored 'General case' 0 CA--C 1.543 0.708 0 O-C-N 122.156 -0.34 . . . . 50.0 111.754 -179.197 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -69.94 -33.29 71.94 Favored 'General case' 0 CA--C 1.512 -0.493 0 O-C-N 121.797 -0.564 . . . . 50.0 110.846 -177.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 69.3 mt-30 -60.25 -37.47 80.49 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.208 -0.664 . . . . 50.0 109.208 175.02 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 95.6 mm-40 -71.83 -39.24 69.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 122.108 -0.37 . . . . 50.0 110.369 -178.644 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 80.7 mt -63.27 -42.57 96.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 N-CA-C 109.096 -0.705 . . . . 50.0 109.096 178.546 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 36.4 tp -64.05 -48.16 77.34 Favored 'General case' 0 C--O 1.215 -0.76 0 CA-C-N 115.736 -0.665 . . . . 50.0 110.901 179.458 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 57.4 mt -56.68 -37.4 52.59 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 O-C-N 122.202 -0.311 . . . . 50.0 110.845 177.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.07 -47.35 86.25 Favored 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 108.285 -1.006 . . . . 50.0 108.285 177.532 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 48.6 tt0 -63.3 -40.52 97.57 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 116.486 -0.325 . . . . 25.0 111.013 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 80.0 mt -63.62 -37.06 85.88 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 122.113 -0.367 . . . . 50.0 110.706 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -69.78 -36.21 75.54 Favored 'General case' 0 C--N 1.319 -0.729 0 O-C-N 122.411 -0.181 . . . . 50.0 110.881 178.228 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 63.8 mt-10 -68.9 -35.63 77.08 Favored 'General case' 0 C--N 1.321 -0.66 0 O-C-N 122.102 -0.373 . . . . 25.0 110.107 177.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 18.0 tm0? -68.45 -44.57 74.6 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.66 -0.496 . . . . 25.0 109.66 174.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 59.7 t60 -59.43 -31.33 69.19 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.194 -0.457 . . . . 50.0 111.794 -179.54 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 32.8 t80 -57.85 -35.07 70.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.473 -0.331 . . . . 25.0 111.614 177.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 83.3 mt-30 -65.66 -44.15 87.2 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.244 -0.65 . . . . 25.0 109.244 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 28.6 tt0 -65.92 -41.55 91.24 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.996 0.427 . . . . 50.0 110.495 179.04 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 26.9 t80 -62.53 -40.37 96.58 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.45 -0.341 . . . . 50.0 111.006 178.454 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.29 -38.67 85.42 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.905 0.384 . . . . 50.0 111.872 178.224 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 22.7 tm0? -64.68 -40.74 95.91 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.79 -0.448 . . . . 25.0 109.79 177.501 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 65.9 tp60 -64.57 -41.26 96.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 122.132 -0.355 . . . . 50.0 110.053 177.707 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 34.9 mt -65.9 -25.96 67.4 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 112.117 0.414 . . . . 25.0 112.117 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -66.14 -35.79 81.41 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-O 121.256 0.55 . . . . 25.0 109.756 175.299 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 63.6 mt-30 -71.16 -34.62 71.14 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.158 0.504 . . . . 25.0 110.102 176.658 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 92.9 t -69.73 -38.47 76.22 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 N-CA-C 108.679 -0.86 . . . . 50.0 108.679 178.655 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -58.26 -52.49 65.37 Favored 'General case' 0 CA--C 1.505 -0.754 0 CA-C-N 116.199 -0.455 . . . . 50.0 110.462 177.619 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.4 pp -72.22 -27.31 62.45 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.073 0.397 . . . . 25.0 112.073 -176.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.1 -42.06 93.89 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.799 -0.445 . . . . 25.0 109.799 176.415 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -65.96 -33.46 75.87 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.477 -0.489 . . . . 50.0 110.205 -178.314 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 82.8 mm-40 -66.01 -50.51 64.0 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 120.618 -0.433 . . . . 50.0 110.421 178.438 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -68.63 -28.71 67.14 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 120.104 -0.638 . . . . 50.0 110.941 -176.453 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -62.77 -34.24 76.82 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-O 120.49 0.186 . . . . 25.0 111.36 176.452 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -84.85 -24.34 28.64 Favored 'General case' 0 N--CA 1.466 0.356 0 N-CA-C 112.229 0.455 . . . . 25.0 112.229 179.517 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 63.0 mt -86.65 -39.34 16.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.831 -0.168 . . . . 50.0 111.418 -176.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 95.0 mm-40 51.94 31.96 9.29 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-O 121.86 0.838 . . . . 25.0 112.179 -177.298 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 19.0 mmtt -94.54 5.17 52.61 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 113.526 0.936 . . . . 50.0 113.526 -174.518 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 81.2 mt-30 -121.15 67.41 0.87 Allowed 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.606 0.717 . . . . 50.0 110.974 -175.082 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 42.4 tt0 . . . . . 0 C--O 1.217 -0.655 0 CA-C-O 123.965 1.841 . . . . 25.0 110.688 179.375 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.4 ttm . . . . . 0 N--CA 1.497 1.905 0 CA-C-O 126.213 2.911 . . . . 25.0 113.095 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -106.54 88.44 2.77 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 112.909 -1.95 . . . . 25.0 111.243 -177.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 23.1 mp0 -117.79 99.2 6.78 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-O 120.817 0.341 . . . . 25.0 111.355 -178.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 19.5 ptpt -56.4 -29.47 61.57 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 114.287 1.217 . . . . 25.0 114.287 179.26 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 82.1 mt-30 -65.68 -27.39 68.32 Favored 'General case' 0 C--O 1.216 -0.71 0 N-CA-C 113.237 0.829 . . . . 25.0 113.237 -178.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 91.8 mt-30 -70.37 -38.59 74.77 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 120.832 -0.347 . . . . 50.0 110.222 177.453 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 42.4 mt -68.02 -42.37 85.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 N-CA-C 107.725 -1.213 . . . . 50.0 107.725 178.612 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 81.8 mmm -60.13 -42.1 94.1 Favored 'General case' 0 C--O 1.209 -1.078 0 CA-C-N 116.519 -0.309 . . . . 50.0 110.258 177.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.28 -39.64 91.17 Favored 'General case' 0 C--O 1.243 0.743 0 CA-C-N 118.909 0.777 . . . . 25.0 111.208 179.411 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.7 -44.91 80.41 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.067 0.461 . . . . 25.0 110.409 178.166 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 86.4 mt -64.48 -40.06 94.98 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 121.335 0.588 . . . . 50.0 110.041 179.324 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 62.6 m-20 -60.79 -38.55 85.7 Favored 'General case' 0 C--O 1.216 -0.705 0 O-C-N 121.68 -0.638 . . . . 50.0 110.413 -179.36 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 57.0 m -69.76 -41.23 75.47 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.571 -0.451 . . . . 25.0 111.699 -177.078 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -77.75 -20.46 53.4 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 113.106 0.78 . . . . 50.0 113.106 -176.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 70.8 p -105.05 2.29 29.35 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.579 0.228 . . . . 25.0 111.586 -179.688 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -47.85 -67.19 0.3 Allowed 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 114.821 1.415 . . . . 25.0 114.821 -172.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 8.4 p -71.56 -26.93 27.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 C-N-CA 120.367 -0.533 . . . . 50.0 111.037 -174.259 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 64.1 tt0 -62.25 -48.77 78.47 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.792 -0.447 . . . . 50.0 109.792 177.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 18.3 m-30 -75.65 -31.55 59.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.7 -0.227 . . . . 50.0 110.561 -179.708 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 17.0 tm0? -62.62 -48.83 77.68 Favored 'General case' 0 C--N 1.328 -0.36 0 O-C-N 122.151 -0.343 . . . . 50.0 111.611 -179.476 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -64.25 -39.64 94.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 122.101 -0.374 . . . . 50.0 110.672 -178.078 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 91.5 t80 -64.94 -43.65 92.06 Favored 'General case' 0 C--O 1.223 -0.304 0 CA-C-N 116.286 -0.416 . . . . 50.0 111.204 177.52 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.08 -38.21 90.25 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 120.117 -0.633 . . . . 25.0 110.643 -179.566 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.95 -26.68 67.69 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 110.213 -0.291 . . . . 25.0 110.213 179.081 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -78.28 -27.55 47.43 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.051 0.453 . . . . 50.0 111.945 178.343 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 96.4 mm-40 -90.17 -45.37 9.15 Favored 'General case' 0 C--O 1.214 -0.788 0 CA-C-N 115.907 -0.588 . . . . 50.0 110.527 -175.605 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 26.3 m-85 -121.7 69.26 24.57 Favored Pre-proline 0 N--CA 1.473 0.676 0 CA-C-N 116.12 -0.491 . . . . 50.0 110.021 179.621 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -68.15 138.86 44.69 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 117.236 -1.376 . . . . 50.0 112.725 -176.292 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 82.17 -15.68 26.76 Favored Glycine 0 CA--C 1.522 0.513 0 N-CA-C 115.292 0.877 . . . . 25.0 115.292 -178.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -105.46 86.62 2.44 Favored 'General case' 0 N--CA 1.475 0.824 0 CA-C-N 117.881 0.84 . . . . 50.0 112.545 -175.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 70.4 t80 -53.64 -46.67 70.62 Favored 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 113.111 0.782 . . . . 50.0 113.111 -178.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -59.52 -45.26 92.26 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 112.756 0.65 . . . . 50.0 112.756 -179.322 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 97.8 mm-40 -70.01 -35.96 74.76 Favored 'General case' 0 C--N 1.319 -0.748 0 O-C-N 121.967 -0.458 . . . . 50.0 111.106 -178.379 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 -58.77 -37.8 77.09 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.364 -0.606 . . . . 50.0 109.364 174.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 57.2 mm-40 -74.01 -35.92 64.44 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 121.182 -0.207 . . . . 50.0 110.799 -176.05 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 77.4 mt -63.0 -43.7 99.24 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 N-CA-C 109.735 -0.469 . . . . 50.0 109.735 176.028 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 24.7 tp -63.73 -49.55 72.63 Favored 'General case' 0 C--O 1.214 -0.77 0 CA-C-N 116.359 -0.382 . . . . 50.0 110.179 179.115 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 64.4 mt -56.63 -39.68 64.46 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 O-C-N 122.344 -0.222 . . . . 50.0 110.833 179.506 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 6.9 tmm_? -60.13 -43.26 95.82 Favored 'General case' 0 N--CA 1.466 0.371 0 O-C-N 121.551 -0.718 . . . . 50.0 110.231 176.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -66.44 -39.27 88.79 Favored 'General case' 0 N--CA 1.467 0.394 0 O-C-N 121.967 -0.458 . . . . 25.0 111.929 178.502 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 86.9 mt -62.47 -39.74 94.38 Favored 'General case' 0 C--O 1.214 -0.786 0 CA-C-N 117.615 0.189 . . . . 50.0 110.592 177.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -66.88 -36.13 81.61 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 122.096 0.158 . . . . 50.0 110.818 179.005 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.1 tm-20 -68.14 -44.92 74.96 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.701 -0.481 . . . . 25.0 109.701 178.123 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -63.87 -40.33 96.31 Favored 'General case' 0 C--O 1.242 0.67 0 CA-C-O 121.005 0.431 . . . . 25.0 110.668 178.353 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 81.8 t60 -64.79 -38.04 89.63 Favored 'General case' 0 CA--C 1.516 -0.354 0 CA-C-N 116.025 -0.534 . . . . 50.0 110.216 178.617 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 45.8 t80 -60.84 -40.7 93.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 121.974 -0.454 . . . . 25.0 110.757 178.544 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -63.57 -46.22 86.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.996 0.427 . . . . 25.0 109.979 178.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -62.85 -40.37 97.26 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-O 120.682 0.277 . . . . 50.0 110.893 179.216 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 61.3 t80 -63.96 -44.32 93.11 Favored 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 122.823 0.449 . . . . 50.0 111.297 178.051 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.3 -38.47 87.8 Favored 'General case' 0 C--O 1.215 -0.736 0 C-N-CA 121.101 -0.24 . . . . 50.0 110.873 179.186 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -63.94 -43.22 96.53 Favored 'General case' 0 C--O 1.215 -0.731 0 N-CA-C 109.875 -0.417 . . . . 25.0 109.875 177.004 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 23.1 tt0 -62.1 -43.23 99.28 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 121.624 -0.672 . . . . 50.0 109.648 179.618 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 68.3 mt -63.7 -30.03 71.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 122.128 -0.357 . . . . 25.0 111.859 178.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -67.42 -33.63 75.57 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-O 121.167 0.508 . . . . 25.0 111.314 176.099 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -74.53 -31.64 62.21 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 121.573 -0.705 . . . . 25.0 110.313 175.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 78.2 t -67.63 -40.9 84.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 N-CA-C 108.563 -0.903 . . . . 50.0 108.563 175.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 3.9 mm-40 -57.19 -48.57 78.43 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.17 0.51 . . . . 50.0 109.664 177.514 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 77.0 mt -65.12 -33.78 76.83 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 116.089 -0.505 . . . . 25.0 111.878 178.435 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.6 -42.33 98.71 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.846 -0.428 . . . . 25.0 109.846 179.126 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -63.38 -33.8 76.33 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 120.249 -0.58 . . . . 50.0 110.031 -178.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -69.29 -47.51 64.36 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.964 0.411 . . . . 50.0 111.333 177.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 71.2 mt-30 -64.55 -35.54 81.3 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 112.401 0.519 . . . . 50.0 112.401 -179.341 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.94 -32.64 72.15 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.254 -0.884 . . . . 25.0 111.85 177.718 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -86.37 -27.01 24.51 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 112.299 0.481 . . . . 25.0 112.299 178.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 82.7 mt -83.64 -39.77 19.83 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.618 0.247 . . . . 50.0 110.644 -176.448 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 50.64 30.68 5.07 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 124.005 0.922 . . . . 25.0 113.049 179.196 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 28.5 ttmt -143.66 21.43 1.83 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.157 -0.929 . . . . 50.0 108.647 -178.462 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 91.3 mm-40 -134.84 63.7 1.61 Allowed 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 106.641 -1.614 . . . . 50.0 106.641 -178.395 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 20.5 pt20 . . . . . 0 C--O 1.214 -0.772 0 CA-C-O 123.673 1.701 . . . . 25.0 112.009 -175.54 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.6 mpp? . . . . . 0 N--CA 1.495 1.792 0 CA-C-O 124.813 2.244 . . . . 25.0 111.886 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -99.99 146.37 26.79 Favored 'General case' 0 C--O 1.216 -0.682 0 CA-C-N 113.152 -1.84 . . . . 25.0 111.94 177.637 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 18.2 pt20 -128.1 37.69 4.12 Favored 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 109.548 -0.538 . . . . 25.0 109.548 176.523 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 32.9 mmtp -57.25 -41.25 79.24 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 112.051 0.389 . . . . 25.0 112.051 -175.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -70.73 -26.67 63.49 Favored 'General case' 0 C--N 1.308 -1.223 0 N-CA-C 113.45 0.907 . . . . 25.0 113.45 -176.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -65.47 -36.76 84.83 Favored 'General case' 0 C--N 1.314 -0.961 0 N-CA-C 108.606 -0.887 . . . . 50.0 108.606 177.66 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 51.2 mt -68.86 -39.74 80.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 108.777 -0.823 . . . . 50.0 108.777 -177.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 74.1 mtp -61.64 -42.43 98.89 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 116.262 -0.426 . . . . 50.0 110.071 178.357 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.12 -40.07 92.4 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-O 120.895 0.378 . . . . 25.0 111.761 -178.613 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.89 -43.45 92.86 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.483 -0.326 . . . . 25.0 111.186 -178.656 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 94.4 mt -62.85 -45.14 93.97 Favored 'General case' 0 N--CA 1.48 1.069 0 O-C-N 123.422 0.451 . . . . 50.0 110.133 176.112 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 82.9 m-20 -64.44 -31.56 72.82 Favored 'General case' 0 C--O 1.212 -0.893 0 CA-C-N 115.984 -0.553 . . . . 50.0 112.179 -175.156 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 42.5 m -65.7 -36.48 83.75 Favored 'General case' 0 C--O 1.209 -1.043 0 O-C-N 122.212 -0.305 . . . . 25.0 111.247 177.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 96.6 mm-40 -73.39 -43.0 61.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.336 0.589 . . . . 50.0 110.403 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 82.2 p -93.34 11.62 27.62 Favored 'General case' 0 C--O 1.251 1.172 0 N-CA-C 113.525 0.935 . . . . 25.0 113.525 -172.29 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.99 -66.63 0.36 Allowed 'General case' 0 CA--C 1.545 0.751 0 N-CA-C 114.505 1.298 . . . . 25.0 114.505 -175.589 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.5 p -73.04 -26.14 22.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-O 121.308 0.575 . . . . 50.0 110.246 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -58.98 -50.62 73.41 Favored 'General case' 0 C--O 1.254 1.323 0 N-CA-C 109.249 -0.648 . . . . 50.0 109.249 -179.121 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 13.9 m-30 -73.48 -32.44 64.3 Favored 'General case' 0 C--N 1.315 -0.919 0 C-N-CA 120.583 -0.447 . . . . 50.0 110.293 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 66.3 tt0 -59.73 -43.95 93.97 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 113.327 0.862 . . . . 50.0 113.327 -178.346 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -66.06 -41.69 90.44 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-N 116.423 -0.353 . . . . 50.0 110.447 179.636 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 88.4 t80 -64.9 -43.05 94.13 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-O 121.228 0.537 . . . . 50.0 111.764 177.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.56 -37.64 86.95 Favored 'General case' 0 C--N 1.327 -0.384 0 O-C-N 121.943 -0.473 . . . . 25.0 110.714 179.172 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.87 -23.66 63.3 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-O 121.839 0.828 . . . . 25.0 110.244 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.24 -14.17 58.63 Favored 'General case' 0 C--O 1.21 -1.01 0 O-C-N 121.571 -0.706 . . . . 50.0 111.607 178.208 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 96.6 mm-40 -103.96 -47.11 4.28 Favored 'General case' 0 C--O 1.215 -0.723 0 CA-C-N 115.906 -0.588 . . . . 50.0 110.778 -179.668 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -120.34 70.21 16.07 Favored Pre-proline 0 C--O 1.245 0.862 0 CA-C-O 120.56 0.219 . . . . 50.0 111.356 179.029 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_endo -67.24 145.84 73.73 Favored 'Trans proline' 0 N--CA 1.454 -0.841 0 C-N-CA 116.323 -1.985 . . . . 50.0 113.201 -176.268 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 82.34 -26.83 3.81 Favored Glycine 0 N--CA 1.469 0.864 0 CA-C-N 115.677 -0.692 . . . . 25.0 114.508 179.458 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -99.83 87.55 3.55 Favored 'General case' 0 C--N 1.311 -1.071 0 CA-C-O 121.829 0.823 . . . . 50.0 111.929 -174.342 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 27.3 t80 -53.72 -43.0 68.68 Favored 'General case' 0 C--N 1.313 -1.018 0 CA-C-N 114.91 -1.041 . . . . 50.0 113.316 177.422 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -62.43 -42.84 99.75 Favored 'General case' 0 C--O 1.217 -0.638 0 O-C-N 121.086 -1.009 . . . . 50.0 113.233 179.046 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 96.0 mm-40 -68.24 -38.34 81.71 Favored 'General case' 0 CA--C 1.509 -0.604 0 CA-C-O 122.728 1.251 . . . . 50.0 110.905 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -57.68 -38.91 75.95 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 114.481 -1.236 . . . . 50.0 109.767 177.569 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 94.0 mm-40 -70.67 -37.83 73.71 Favored 'General case' 0 N--CA 1.477 0.905 0 CA-C-O 121.455 0.645 . . . . 50.0 112.073 -178.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 68.7 mt -64.42 -39.81 86.86 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.876 0 N-CA-C 109.024 -0.732 . . . . 50.0 109.024 179.507 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 26.1 tp -65.71 -45.59 82.2 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.246 0.546 . . . . 50.0 112.041 179.568 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 62.3 mt -59.57 -41.99 86.7 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.896 0 CA-C-N 116.155 -0.475 . . . . 50.0 110.769 178.437 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 65.4 ttt-85 -55.44 -38.75 69.42 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-O 120.735 0.302 . . . . 50.0 110.515 177.621 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 36.9 tt0 -72.26 -42.58 65.43 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.244 0.545 . . . . 25.0 110.228 179.661 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 88.8 mt -64.54 -37.28 87.0 Favored 'General case' 0 N--CA 1.477 0.887 0 O-C-N 121.48 -0.762 . . . . 50.0 111.166 -177.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -63.84 -40.39 96.49 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-O 121.007 0.432 . . . . 50.0 110.625 179.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -66.22 -39.58 89.68 Favored 'General case' 0 C--O 1.224 -0.261 0 C-N-CA 120.074 -0.65 . . . . 25.0 110.858 177.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -61.54 -40.77 95.88 Favored 'General case' 0 N--CA 1.481 1.092 0 N-CA-C 109.863 -0.421 . . . . 25.0 109.863 179.039 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -66.73 -38.32 86.43 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 116.234 -0.439 . . . . 50.0 109.876 178.792 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 54.3 t80 -66.61 -39.57 88.43 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.372 0.605 . . . . 25.0 110.728 179.357 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -62.85 -43.36 99.0 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-N 116.254 -0.43 . . . . 25.0 109.843 179.566 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 26.4 tt0 -60.63 -43.02 98.02 Favored 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 108.523 -0.917 . . . . 50.0 108.523 177.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 37.1 t80 -62.21 -46.73 87.59 Favored 'General case' 0 C--O 1.213 -0.849 0 CA-C-O 121.145 0.498 . . . . 50.0 110.242 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.33 -37.45 83.31 Favored 'General case' 0 CA--C 1.538 0.512 0 O-C-N 121.873 -0.517 . . . . 50.0 112.014 -178.598 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 48.2 tt0 -64.87 -37.43 87.61 Favored 'General case' 0 C--N 1.342 0.264 0 O-C-N 121.36 -0.838 . . . . 25.0 111.022 178.444 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 38.4 tt0 -69.74 -42.88 73.34 Favored 'General case' 0 C--O 1.241 0.631 0 N-CA-C 109.052 -0.722 . . . . 50.0 109.052 177.52 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 61.4 mt -62.8 -31.62 72.64 Favored 'General case' 0 C--O 1.202 -1.442 0 N-CA-C 112.376 0.51 . . . . 25.0 112.376 -179.515 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -61.91 -41.67 98.19 Favored 'General case' 0 C--O 1.242 0.704 0 N-CA-C 109.965 -0.383 . . . . 25.0 109.965 176.348 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 71.0 mt-30 -71.57 -37.69 71.01 Favored 'General case' 0 C--N 1.321 -0.67 0 O-C-N 121.844 -0.535 . . . . 25.0 110.42 178.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 81.2 t -63.46 -37.84 80.62 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 CA-C-O 121.647 0.737 . . . . 50.0 110.083 178.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -59.4 -46.85 87.54 Favored 'General case' 0 C--O 1.212 -0.893 0 O-C-N 121.264 -0.898 . . . . 50.0 111.513 175.721 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 96.0 mt -67.26 -31.03 71.09 Favored 'General case' 0 C--O 1.247 0.96 0 O-C-N 121.422 -0.799 . . . . 25.0 111.38 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.03 -43.46 95.5 Favored 'General case' 0 C--N 1.308 -1.216 0 N-CA-C 108.972 -0.751 . . . . 25.0 108.972 176.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 2.4 mm100 -64.99 -37.23 86.97 Favored 'General case' 0 C--O 1.22 -0.467 0 CA-C-N 115.816 -0.629 . . . . 50.0 109.562 178.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -64.45 -46.38 83.4 Favored 'General case' 0 C--O 1.212 -0.92 0 O-C-N 121.659 -0.651 . . . . 50.0 112.448 176.537 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -70.25 -27.34 64.37 Favored 'General case' 0 C--O 1.207 -1.154 0 C-N-CA 119.667 -0.813 . . . . 50.0 110.661 -177.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -66.78 -34.34 77.62 Favored 'General case' 0 CA--C 1.554 1.112 0 CA-C-O 122.091 0.948 . . . . 25.0 110.533 176.497 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -82.74 -31.1 28.59 Favored 'General case' 0 C--O 1.219 -0.524 0 O-C-N 121.646 -0.659 . . . . 25.0 112.517 177.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 66.7 mt -78.65 -32.82 47.46 Favored 'General case' 0 N--CA 1.468 0.469 0 N-CA-C 109.472 -0.566 . . . . 50.0 109.472 179.581 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 32.93 49.98 0.2 Allowed 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 116.368 1.988 . . . . 25.0 116.368 177.199 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 13.5 mmmm -76.8 43.65 0.35 Allowed 'General case' 0 N--CA 1.483 1.203 0 N-CA-C 115.981 1.845 . . . . 50.0 115.981 -177.064 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 47.19 65.15 1.32 Allowed 'General case' 0 N--CA 1.485 1.279 0 CA-C-O 122.73 1.253 . . . . 50.0 113.865 175.31 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 3.3 pm0 . . . . . 0 N--CA 1.484 1.249 0 CA-C-O 124.436 2.065 . . . . 25.0 112.331 175.364 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 55.7 ttm . . . . . 0 N--CA 1.479 0.995 0 CA-C-O 123.591 1.662 . . . . 25.0 114.477 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 26.7 mp0 -87.43 91.57 8.78 Favored 'General case' 0 C--O 1.22 -0.479 0 O-C-N 120.582 -1.324 . . . . 25.0 110.175 178.083 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -112.44 35.04 3.98 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.84 0.828 . . . . 25.0 110.299 178.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -55.77 -44.38 77.63 Favored 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 113.631 0.974 . . . . 25.0 113.631 -177.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 57.1 mt-30 -72.71 -23.46 60.86 Favored 'General case' 0 C--O 1.214 -0.786 0 O-C-N 121.745 -0.597 . . . . 25.0 112.519 -176.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -66.43 -36.83 83.79 Favored 'General case' 0 C--O 1.217 -0.656 0 CA-C-N 118.825 0.739 . . . . 50.0 109.31 176.243 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 37.4 mt -66.24 -43.04 91.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 N-CA-C 108.256 -1.016 . . . . 50.0 108.256 179.4 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 62.5 mtp -67.76 -29.16 68.3 Favored 'General case' 0 C--O 1.216 -0.662 0 O-C-N 121.402 -0.812 . . . . 50.0 111.835 179.598 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.43 -38.86 78.05 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.35 -0.611 . . . . 25.0 109.35 177.253 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.57 -43.3 90.2 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.017 -0.538 . . . . 25.0 110.611 178.147 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 92.0 mt -64.77 -33.45 76.01 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-O 121.252 0.549 . . . . 50.0 110.53 177.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -62.76 -40.55 97.61 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.364 -0.38 . . . . 50.0 110.392 179.291 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 38.9 t -66.27 -41.38 89.97 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 110.054 -0.35 . . . . 25.0 110.054 179.515 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -67.51 -27.55 67.09 Favored 'General case' 0 N--CA 1.468 0.432 0 N-CA-C 113.968 1.099 . . . . 50.0 113.968 -178.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 72.1 p -116.47 8.21 13.98 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 113.835 1.05 . . . . 25.0 113.835 -172.58 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -47.83 -72.7 0.05 OUTLIER 'General case' 0 CA--C 1.546 0.8 0 N-CA-C 113.936 1.087 . . . . 25.0 113.936 -173.352 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 8.3 p -74.37 -25.08 19.25 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.356 0 O-C-N 121.834 -0.541 . . . . 50.0 110.458 -178.696 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 43.6 tt0 -59.37 -45.3 91.82 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.278 0.561 . . . . 50.0 110.987 -178.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 14.4 m-30 -86.62 -23.32 25.76 Favored 'General case' 0 C--O 1.214 -0.772 0 CA-C-N 116.055 -0.52 . . . . 50.0 111.114 178.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 41.8 tp60 -61.32 -42.79 99.26 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 118.461 0.573 . . . . 50.0 110.218 176.626 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 25.7 mm100 -63.0 -41.68 99.65 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 120.644 -0.422 . . . . 50.0 110.806 178.474 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 55.9 t80 -64.71 -41.2 96.17 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-O 121.634 0.73 . . . . 50.0 110.878 177.48 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.58 -35.59 81.29 Favored 'General case' 0 C--N 1.317 -0.817 0 O-C-N 121.556 -0.715 . . . . 25.0 111.355 179.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.85 -24.18 65.23 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-O 121.196 0.522 . . . . 25.0 110.77 177.459 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 40.4 tt0 -72.54 -16.26 61.77 Favored 'General case' 0 C--O 1.214 -0.767 0 CA-C-O 121.535 0.683 . . . . 50.0 112.115 178.368 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 56.1 mm-40 -108.69 -43.58 4.23 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.551 0.574 . . . . 50.0 112.551 -179.318 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 30.4 m-85 -122.85 68.16 33.11 Favored Pre-proline 0 C--O 1.251 1.149 0 CA-C-N 116.417 -0.356 . . . . 50.0 110.903 -179.426 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -66.64 136.24 41.71 Favored 'Trans proline' 0 C--O 1.217 -0.56 0 C-N-CA 116.386 -1.943 . . . . 50.0 112.804 -176.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 82.29 -15.32 29.37 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 115.128 0.811 . . . . 25.0 115.128 -179.024 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 10.1 m120 -102.97 85.66 2.57 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 118.098 0.949 . . . . 50.0 111.071 -177.226 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 41.1 t80 -56.95 -44.06 82.17 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.217 0.451 . . . . 50.0 112.217 -177.669 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -60.89 -45.04 96.17 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 122.043 -0.41 . . . . 50.0 111.363 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 9.8 mm100 -68.0 -37.73 81.79 Favored 'General case' 0 C--O 1.245 0.831 0 O-C-N 121.683 -0.636 . . . . 50.0 109.61 -179.205 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 -58.05 -37.56 74.64 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.916 -0.584 . . . . 50.0 109.869 176.019 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 92.9 mm-40 -72.62 -36.62 68.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 121.65 -0.656 . . . . 50.0 111.554 -178.35 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 71.5 mt -60.9 -42.69 93.66 Favored 'Isoleucine or valine' 0 C--O 1.243 0.754 0 N-CA-C 108.536 -0.913 . . . . 50.0 108.536 176.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 28.2 tp -67.05 -47.6 70.84 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.801 -0.636 . . . . 50.0 112.26 -178.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 58.5 mt -56.88 -40.51 72.16 Favored 'Isoleucine or valine' 0 C--O 1.244 0.772 0 C-N-CA 122.483 0.313 . . . . 50.0 111.634 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 72.0 mtt85 -59.48 -38.65 81.37 Favored 'General case' 0 N--CA 1.483 1.219 0 O-C-N 121.359 -0.838 . . . . 50.0 112.093 177.043 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -65.26 -43.03 92.58 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-O 121.354 0.597 . . . . 25.0 111.162 179.133 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 63.6 mt -63.05 -42.43 99.7 Favored 'General case' 0 N--CA 1.478 0.937 0 CA-C-O 121.479 0.657 . . . . 50.0 110.479 -178.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -67.64 -41.3 84.11 Favored 'General case' 0 N--CA 1.443 -0.785 0 CA-C-N 115.112 -0.949 . . . . 50.0 110.376 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -66.78 -44.57 80.96 Favored 'General case' 0 CA--C 1.541 0.612 0 O-C-N 121.96 -0.463 . . . . 25.0 111.339 -179.166 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 10.9 mm100 -57.07 -39.88 75.83 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.342 0.591 . . . . 25.0 109.7 178.433 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 3.4 t-80 -83.57 -16.04 46.88 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 113.572 0.953 . . . . 50.0 113.572 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 76.3 t80 -72.76 -33.88 66.62 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 108.161 -1.051 . . . . 25.0 108.161 175.557 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 65.7 mt-30 -59.68 -46.4 89.17 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 108.872 -0.788 . . . . 25.0 108.872 176.137 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 23.6 tt0 -63.82 -40.41 96.55 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-O 121.506 0.67 . . . . 50.0 110.441 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 32.5 t80 -61.61 -40.0 93.28 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-O 121.313 0.577 . . . . 50.0 110.733 178.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.91 -38.24 76.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 122.004 -0.435 . . . . 50.0 111.406 178.135 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 -63.39 -39.39 94.39 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 110.015 -0.365 . . . . 25.0 110.015 178.363 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 40.1 tt0 -67.26 -42.98 83.0 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.333 -0.618 . . . . 50.0 109.333 178.011 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 30.5 mt -65.43 -28.75 69.46 Favored 'General case' 0 C--O 1.22 -0.459 0 N-CA-C 112.461 0.541 . . . . 25.0 112.461 -178.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -62.39 -39.25 92.6 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-O 121.48 0.657 . . . . 25.0 109.792 176.751 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 63.6 mt-30 -72.75 -33.45 66.37 Favored 'General case' 0 C--O 1.218 -0.579 0 CA-C-N 116.252 -0.431 . . . . 25.0 109.856 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 97.7 t -67.19 -38.86 81.88 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.35 0 N-CA-C 109.268 -0.641 . . . . 50.0 109.268 178.257 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -62.96 -45.24 93.4 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-O 121.524 0.678 . . . . 50.0 109.922 177.123 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 32.8 mt -63.73 -33.58 75.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.321 -0.399 . . . . 25.0 111.421 178.432 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.98 -40.54 93.83 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.603 0.716 . . . . 25.0 110.431 176.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 82.2 mt-30 -70.58 -34.65 72.42 Favored 'General case' 0 N--CA 1.435 -1.194 0 CA-C-N 115.792 -0.64 . . . . 50.0 110.364 179.037 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -65.65 -45.63 82.24 Favored 'General case' 0 C--O 1.211 -0.921 0 O-C-N 121.885 -0.51 . . . . 50.0 110.173 178.191 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 18.3 pt20 -69.74 -26.17 64.19 Favored 'General case' 0 C--O 1.22 -0.466 0 CA-C-N 119.021 0.828 . . . . 50.0 111.339 -176.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.83 -38.05 89.69 Favored 'General case' 0 N--CA 1.446 -0.675 0 N-CA-C 109.341 -0.615 . . . . 25.0 109.341 177.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -81.17 -40.17 24.35 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-O 121.433 0.635 . . . . 25.0 111.784 179.104 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 68.6 mt -71.2 -40.03 71.42 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 116.278 -0.419 . . . . 50.0 111.104 -175.058 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 39.04 38.82 0.33 Allowed 'General case' 0 N--CA 1.479 0.991 0 N-CA-C 115.136 1.532 . . . . 25.0 115.136 179.067 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -79.31 39.4 0.39 Allowed 'General case' 0 N--CA 1.479 1.023 0 N-CA-C 113.698 0.999 . . . . 50.0 113.698 -177.043 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -86.4 60.51 6.27 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 123.696 1.712 . . . . 50.0 108.833 177.69 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 . . . . . 0 N--CA 1.481 1.124 0 CA-C-O 123.841 1.782 . . . . 25.0 112.482 -176.54 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 61.3 mtt . . . . . 0 N--CA 1.496 1.842 0 CA-C-O 125.614 2.626 . . . . 25.0 111.824 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 26.6 mp0 -76.43 -5.1 45.88 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 113.377 -1.738 . . . . 25.0 110.254 179.749 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -59.21 -23.83 62.61 Favored 'General case' 0 N--CA 1.481 1.125 0 CA-C-O 121.291 0.567 . . . . 25.0 111.944 176.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 35.1 ttpt -45.49 -35.11 3.61 Favored 'General case' 0 CA--C 1.539 0.554 0 N-CA-C 113.87 1.063 . . . . 25.0 113.87 169.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.3 pp0? -62.28 -28.69 69.89 Favored 'General case' 0 C--O 1.21 -0.993 0 O-C-N 121.786 -0.571 . . . . 25.0 112.488 -177.621 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 91.1 mt-30 -64.72 -40.56 95.54 Favored 'General case' 0 CA--C 1.514 -0.412 0 CA-C-O 121.895 0.855 . . . . 50.0 109.327 179.036 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 31.3 mt -72.41 -42.72 64.69 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.719 0 N-CA-C 108.592 -0.892 . . . . 50.0 108.592 -178.112 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 73.3 mtp -64.13 -35.93 82.38 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.566 -0.454 . . . . 50.0 111.524 -179.657 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.78 -40.84 88.33 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.159 0.505 . . . . 25.0 109.792 177.121 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.7 -46.43 88.16 Favored 'General case' 0 CA--C 1.538 0.514 0 N-CA-C 109.682 -0.488 . . . . 25.0 109.682 177.758 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 91.9 mt -66.65 -30.77 71.12 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.958 -0.297 . . . . 50.0 110.617 -179.747 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -59.63 -45.24 92.56 Favored 'General case' 0 C--O 1.221 -0.421 0 CA-C-O 121.418 0.628 . . . . 50.0 109.805 176.257 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 43.5 t -66.52 -42.95 86.51 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.699 -0.682 . . . . 25.0 111.573 -179.051 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 87.3 mm-40 -65.6 -38.15 88.64 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 112.523 0.564 . . . . 50.0 112.523 -179.191 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 69.7 p -99.36 4.28 46.29 Favored 'General case' 0 N--CA 1.471 0.581 0 N-CA-C 114.201 1.186 . . . . 25.0 114.201 -173.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -47.73 -73.53 0.04 OUTLIER 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 114.713 1.375 . . . . 25.0 114.713 -174.722 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.9 p -70.28 -27.65 32.71 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.694 0 CA-C-O 121.368 0.604 . . . . 50.0 110.746 -178.605 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 45.1 tt0 -60.85 -45.96 92.47 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.519 0.676 . . . . 50.0 111.566 -178.164 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 12.6 m-30 -84.85 -21.2 29.9 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 116.152 -0.476 . . . . 50.0 110.584 -178.743 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -62.57 -47.39 84.05 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 111.96 0.355 . . . . 50.0 111.96 178.672 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -66.62 -36.17 81.94 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.782 -0.451 . . . . 50.0 109.782 -178.058 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 84.0 t80 -66.52 -41.97 88.0 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 120.4 -0.52 . . . . 50.0 111.545 175.488 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.67 -38.13 89.13 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.297 0.57 . . . . 25.0 109.961 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.82 -25.59 66.52 Favored 'General case' 0 C--O 1.213 -0.833 0 CA-C-N 116.065 -0.516 . . . . 25.0 111.841 178.636 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -76.5 -18.06 58.94 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 116.204 -0.453 . . . . 50.0 111.991 178.231 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 95.4 mm-40 -103.29 -46.37 4.62 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.498 0.666 . . . . 50.0 111.739 -178.177 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 21.7 m-30 -119.13 66.69 8.27 Favored Pre-proline 0 CA--C 1.55 0.957 0 CA-C-N 115.511 -0.768 . . . . 50.0 110.809 179.087 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -65.43 140.32 63.01 Favored 'Trans proline' 0 C--N 1.353 0.798 0 C-N-CA 117.168 -1.421 . . . . 50.0 112.83 -177.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 83.82 -17.69 24.98 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 114.463 0.545 . . . . 25.0 114.463 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 11.3 m120 -103.88 80.11 1.72 Allowed 'General case' 0 CA--C 1.503 -0.841 0 CA-C-N 118.244 1.022 . . . . 50.0 110.775 -175.782 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 65.1 t80 -53.66 -44.19 69.46 Favored 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 112.857 0.688 . . . . 50.0 112.857 -178.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -60.41 -45.22 94.37 Favored 'General case' 0 CA--C 1.546 0.812 0 O-C-N 122.062 -0.398 . . . . 50.0 111.597 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 87.7 mm-40 -71.53 -34.22 69.86 Favored 'General case' 0 CA--C 1.5 -0.948 0 C-N-CA 121.028 -0.269 . . . . 50.0 111.076 -178.704 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 66.6 mt-30 -58.5 -36.98 74.64 Favored 'General case' 0 N--CA 1.441 -0.913 0 O-C-N 123.4 0.437 . . . . 50.0 110.166 175.058 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -74.34 -38.65 63.2 Favored 'General case' 0 N--CA 1.476 0.833 0 O-C-N 122.115 -0.366 . . . . 50.0 110.55 -176.726 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 67.1 mt -62.42 -42.24 94.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 N-CA-C 109.138 -0.689 . . . . 50.0 109.138 176.492 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 46.2 tp -63.82 -47.29 81.41 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.942 -0.572 . . . . 50.0 111.159 178.639 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 50.0 mt -57.81 -38.62 66.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 111.746 0.276 . . . . 50.0 111.746 178.127 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -59.13 -42.79 91.44 Favored 'General case' 0 N--CA 1.474 0.757 0 O-C-N 121.709 -0.62 . . . . 50.0 109.729 175.562 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 -64.85 -43.35 93.31 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 120.773 0.32 . . . . 25.0 110.884 179.055 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 79.1 mt -63.41 -38.03 89.55 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.779 0.323 . . . . 50.0 110.361 -178.604 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -68.66 -37.39 79.61 Favored 'General case' 0 C--N 1.329 -0.321 0 O-C-N 122.198 -0.314 . . . . 50.0 111.101 178.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -67.83 -39.82 83.82 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 120.57 -0.452 . . . . 25.0 110.381 178.116 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -65.77 -42.32 90.96 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-O 121.261 0.553 . . . . 25.0 109.526 175.165 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 64.5 t60 -61.64 -30.07 70.47 Favored 'General case' 0 CA--C 1.538 0.489 0 O-C-N 122.077 -0.389 . . . . 50.0 111.908 177.32 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 59.6 t80 -66.64 -34.91 78.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 121.882 -0.511 . . . . 25.0 110.848 177.135 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 82.4 mt-30 -64.24 -40.81 96.8 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 121.387 -0.821 . . . . 25.0 109.933 177.062 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 40.7 tt0 -62.68 -42.24 99.52 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 109.566 -0.531 . . . . 50.0 109.566 176.461 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 14.1 t80 -62.42 -39.13 92.32 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.183 0.516 . . . . 50.0 110.612 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.48 -39.91 81.16 Favored 'General case' 0 C--N 1.331 -0.218 0 O-C-N 121.126 -0.984 . . . . 50.0 111.264 179.037 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 48.3 tt0 -65.19 -36.95 85.8 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-O 121.019 0.438 . . . . 25.0 109.837 179.202 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 56.8 tt0 -65.35 -43.55 90.5 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.335 -0.393 . . . . 50.0 110.164 176.187 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 28.0 mt -64.51 -28.86 69.94 Favored 'General case' 0 C--O 1.222 -0.35 0 N-CA-C 112.401 0.519 . . . . 25.0 112.401 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -65.15 -36.87 85.6 Favored 'General case' 0 C--O 1.241 0.607 0 O-C-N 121.991 -0.443 . . . . 25.0 110.644 175.706 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 82.0 mt-30 -71.8 -35.69 70.05 Favored 'General case' 0 C--O 1.212 -0.908 0 CA-C-O 121.293 0.568 . . . . 25.0 110.0 178.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 90.8 t -65.78 -39.46 84.86 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 CA-C-N 115.723 -0.671 . . . . 50.0 110.47 176.392 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 2.5 mm100 -58.1 -49.1 78.12 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.858 0.361 . . . . 50.0 110.053 174.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 61.4 mt -62.56 -38.47 90.18 Favored 'General case' 0 C--N 1.322 -0.594 0 O-C-N 122.106 -0.371 . . . . 25.0 111.833 -178.698 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.73 -40.99 89.91 Favored 'General case' 0 C--O 1.221 -0.423 0 CA-C-O 121.083 0.468 . . . . 25.0 110.978 179.725 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 65.0 mt-30 -75.0 -37.87 61.72 Favored 'General case' 0 N--CA 1.443 -0.801 0 C-N-CA 120.402 -0.519 . . . . 50.0 111.059 178.157 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 1.5 mm100 -61.65 -44.53 96.79 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.884 -0.144 . . . . 50.0 111.312 -179.691 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 20.1 pt20 -66.46 -30.49 70.84 Favored 'General case' 0 C--O 1.221 -0.418 0 O-C-N 121.567 -0.708 . . . . 50.0 111.367 179.337 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -71.47 -39.01 71.18 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 120.464 -0.495 . . . . 25.0 110.191 178.112 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -70.5 -36.92 74.07 Favored 'General case' 0 C--O 1.219 -0.506 0 CA-C-O 121.28 0.562 . . . . 25.0 110.22 -178.451 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 69.3 mt -79.3 -36.75 39.18 Favored 'General case' 0 C--O 1.216 -0.667 0 CA-C-N 116.372 -0.376 . . . . 50.0 111.746 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 35.6 37.81 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.488 0 N-CA-C 116.393 1.997 . . . . 25.0 116.393 -177.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 19.1 ptpt -81.91 2.26 31.37 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 115.254 -0.885 . . . . 50.0 112.761 -178.624 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 29.6 mm100 -99.73 52.8 0.92 Allowed 'General case' 0 C--N 1.318 -0.795 0 CA-C-O 121.48 0.657 . . . . 50.0 109.694 178.583 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 10.6 tm0? . . . . . 0 C--O 1.209 -1.033 0 CA-C-O 123.524 1.63 . . . . 25.0 112.479 -178.966 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.8 ptp . . . . . 0 N--CA 1.508 2.466 0 CA-C-O 123.419 1.58 . . . . 25.0 112.8 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 72.32 133.01 0.04 OUTLIER 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 128.468 2.707 . . . . 25.0 112.843 -178.701 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -124.68 28.91 6.39 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 107.763 -1.199 . . . . 25.0 107.763 177.414 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -58.79 -39.02 79.88 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.71 -0.677 . . . . 25.0 112.167 -178.552 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 30.3 pt20 -70.13 -24.14 63.14 Favored 'General case' 0 C--O 1.216 -0.685 0 N-CA-C 112.45 0.537 . . . . 25.0 112.45 -179.031 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -71.69 -33.33 68.71 Favored 'General case' 0 C--O 1.219 -0.51 0 O-C-N 121.841 -0.537 . . . . 50.0 110.002 178.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 40.8 mt -66.61 -43.0 90.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 107.264 -1.384 . . . . 50.0 107.264 177.047 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 80.9 mmm -63.27 -35.97 82.13 Favored 'General case' 0 C--O 1.211 -0.974 0 CA-C-N 116.068 -0.514 . . . . 50.0 112.059 177.552 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.46 -39.5 92.09 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-O 121.283 0.563 . . . . 25.0 110.682 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.35 -46.77 72.44 Favored 'General case' 0 C--O 1.235 0.312 0 N-CA-C 109.48 -0.563 . . . . 25.0 109.48 177.452 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 51.2 mt -61.16 -40.66 94.68 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.41 -0.814 . . . . 50.0 111.144 -179.462 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -59.26 -45.45 91.17 Favored 'General case' 0 C--O 1.219 -0.52 0 O-C-N 121.804 -0.56 . . . . 50.0 110.754 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 38.0 m -68.35 -45.96 71.43 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 112.06 0.392 . . . . 25.0 112.06 -178.405 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 16.3 pt20 -74.21 -14.15 60.9 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 113.243 0.831 . . . . 50.0 113.243 -173.741 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 81.0 p -113.2 0.52 14.92 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.249 0.463 . . . . 25.0 112.249 178.608 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -51.8 -68.05 0.2 Allowed 'General case' 0 C--O 1.215 -0.744 0 N-CA-C 113.388 0.884 . . . . 25.0 113.388 -174.095 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.5 p -69.64 -27.71 34.72 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.809 0 CA-C-O 121.255 0.55 . . . . 50.0 111.247 -177.481 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -68.95 -44.89 72.08 Favored 'General case' 0 C--O 1.222 -0.392 0 O-C-N 121.565 -0.709 . . . . 50.0 111.119 -177.396 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 15.0 m-30 -78.8 -21.5 47.7 Favored 'General case' 0 C--O 1.211 -0.922 0 O-C-N 121.51 -0.744 . . . . 50.0 109.936 177.562 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -61.8 -44.11 97.52 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 118.355 0.525 . . . . 50.0 110.165 177.145 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -64.12 -36.99 85.85 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.338 0.59 . . . . 50.0 111.092 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 79.2 t80 -68.48 -43.13 77.6 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 121.956 -0.465 . . . . 50.0 111.114 176.194 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.01 -35.46 80.3 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.908 0.385 . . . . 25.0 111.387 -178.322 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.97 -25.36 65.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.034 -0.53 . . . . 25.0 111.093 179.587 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -74.61 -26.91 60.22 Favored 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 122.629 0.371 . . . . 50.0 110.782 178.021 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -93.84 -47.07 6.92 Favored 'General case' 0 C--O 1.214 -0.771 0 CA-C-N 116.158 -0.474 . . . . 50.0 111.888 -176.2 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -121.58 67.96 21.27 Favored Pre-proline 0 C--N 1.326 -0.449 0 CA-C-N 115.902 -0.59 . . . . 50.0 110.444 -178.628 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -67.53 139.45 49.0 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 115.41 -2.593 . . . . 50.0 112.51 -176.596 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 82.12 -24.05 4.93 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 114.851 0.7 . . . . 25.0 114.851 -179.406 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -95.49 85.16 4.13 Favored 'General case' 0 CA--C 1.512 -0.483 0 CA-C-N 117.993 0.897 . . . . 50.0 109.966 -176.756 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 11.1 t80 -54.56 -43.26 71.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.292 -0.867 . . . . 50.0 111.805 -179.092 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -60.37 -46.77 88.76 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 112.059 0.392 . . . . 50.0 112.059 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 95.8 mm-40 -70.12 -35.01 73.79 Favored 'General case' 0 C--N 1.321 -0.643 0 O-C-N 121.935 -0.478 . . . . 50.0 110.922 -179.168 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 59.6 mt-30 -57.7 -39.29 76.84 Favored 'General case' 0 C--N 1.315 -0.898 0 N-CA-C 109.568 -0.53 . . . . 50.0 109.568 175.108 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 96.6 mm-40 -72.17 -39.57 68.58 Favored 'General case' 0 N--CA 1.481 1.099 0 O-C-N 121.666 -0.646 . . . . 50.0 110.036 -177.359 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 78.6 mt -62.21 -42.94 97.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 N-CA-C 109.075 -0.713 . . . . 50.0 109.075 178.582 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 33.8 tp -62.56 -51.72 66.27 Favored 'General case' 0 C--O 1.209 -1.059 0 N-CA-C 109.886 -0.412 . . . . 50.0 109.886 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 58.5 mt -56.44 -40.69 69.08 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 CA-C-O 121.002 0.429 . . . . 50.0 111.536 179.627 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 70.5 ttt-85 -61.88 -39.72 92.89 Favored 'General case' 0 C--N 1.321 -0.635 0 O-C-N 122.213 -0.304 . . . . 50.0 110.63 179.098 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -71.99 -39.79 69.03 Favored 'General case' 0 CA--C 1.536 0.436 0 N-CA-C 111.492 0.182 . . . . 25.0 111.492 176.413 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 93.0 mt -60.75 -42.22 96.98 Favored 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 109.537 -0.542 . . . . 50.0 109.537 179.56 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -66.01 -35.17 79.83 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 119.533 -0.27 . . . . 50.0 110.931 179.393 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 82.9 tt0 -70.23 -43.1 71.33 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 117.907 0.322 . . . . 25.0 111.837 179.23 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -66.63 -39.11 88.13 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.883 0.849 . . . . 25.0 109.519 178.734 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 44.1 t-80 -65.42 -31.19 72.16 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.97 -0.559 . . . . 50.0 110.647 176.121 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 41.6 t80 -61.45 -37.77 84.76 Favored 'General case' 0 N--CA 1.472 0.65 0 O-C-N 121.98 -0.45 . . . . 25.0 110.887 179.723 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 80.2 mt-30 -62.6 -43.33 99.09 Favored 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 109.782 -0.451 . . . . 25.0 109.782 179.078 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 11.6 tm0? -66.25 -42.08 89.05 Favored 'General case' 0 C--O 1.222 -0.365 0 N-CA-C 109.862 -0.421 . . . . 50.0 109.862 178.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 23.3 t80 -60.43 -43.27 96.94 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.061 -0.518 . . . . 50.0 109.8 -179.457 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.14 -40.96 91.01 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 116.794 -0.184 . . . . 50.0 111.432 177.58 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -63.25 -41.85 99.11 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.982 -0.377 . . . . 25.0 109.982 178.585 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 55.5 tp60 -66.54 -43.1 86.03 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 121.867 -0.521 . . . . 50.0 110.083 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 35.1 mt -63.44 -30.06 71.25 Favored 'General case' 0 C--O 1.22 -0.499 0 CA-C-O 120.459 0.171 . . . . 25.0 111.411 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -66.68 -38.01 85.92 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.664 -0.244 . . . . 25.0 110.591 177.046 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 73.0 mt-30 -71.22 -33.98 70.39 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.431 0.634 . . . . 25.0 109.811 177.033 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 79.3 t -68.43 -36.55 75.3 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.433 0 N-CA-C 109.574 -0.528 . . . . 50.0 109.574 178.207 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -61.15 -46.24 91.35 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 120.874 0.368 . . . . 50.0 110.088 173.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 47.1 mt -65.62 -32.81 74.58 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.445 0.535 . . . . 25.0 112.445 178.781 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.64 -41.11 94.29 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.594 -0.521 . . . . 25.0 109.594 176.316 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 71.9 mt-30 -73.18 -33.82 65.64 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-O 121.334 0.587 . . . . 50.0 110.411 178.784 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 5.3 mm-40 -66.25 -43.75 85.64 Favored 'General case' 0 C--O 1.222 -0.354 0 O-C-N 121.832 -0.543 . . . . 50.0 111.206 179.408 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 18.0 pt20 -69.67 -26.64 64.49 Favored 'General case' 0 C--O 1.221 -0.418 0 C-N-CA 120.161 -0.616 . . . . 50.0 110.436 179.719 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -70.89 -34.76 71.9 Favored 'General case' 0 C--O 1.222 -0.385 0 CA-C-O 121.079 0.466 . . . . 25.0 110.193 175.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -73.38 -39.64 64.96 Favored 'General case' 0 C--N 1.328 -0.363 0 O-C-N 121.966 -0.458 . . . . 25.0 109.966 179.135 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 86.3 mt -67.13 -39.78 86.68 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.483 -0.781 . . . . 50.0 110.991 178.235 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 37.69 38.75 0.17 Allowed 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 125.385 1.474 . . . . 25.0 114.334 -179.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 32.1 tttt -107.01 33.3 4.04 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.419 -0.81 . . . . 50.0 111.625 -175.646 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -84.28 67.78 9.93 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 122.736 1.255 . . . . 50.0 107.718 176.54 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 . . . . . 0 C--O 1.209 -1.064 0 CA-C-O 123.817 1.77 . . . . 25.0 113.21 -172.049 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 57.1 ttm . . . . . 0 C--O 1.199 -1.559 0 CA-C-O 122.795 1.284 . . . . 25.0 111.938 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 57.25 17.9 3.92 Favored 'General case' 0 C--N 1.355 0.815 0 C-N-CA 125.583 1.553 . . . . 25.0 113.423 178.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -68.64 -1.45 6.9 Favored 'General case' 0 N--CA 1.48 1.034 0 CA-C-O 122.013 0.911 . . . . 25.0 112.397 -179.4 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 26.1 mtmm -55.77 -35.03 65.79 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.533 -0.758 . . . . 25.0 111.363 173.693 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 25.2 pt20 -69.98 -23.96 63.24 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 112.872 0.693 . . . . 25.0 112.872 -178.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -68.43 -35.7 78.01 Favored 'General case' 0 CA--C 1.511 -0.529 0 N-CA-C 109.16 -0.681 . . . . 50.0 109.16 179.359 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 24.8 mt -65.38 -39.57 85.66 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.502 0 N-CA-C 108.43 -0.952 . . . . 50.0 108.43 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 93.4 mmm -62.12 -44.22 97.13 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 122.07 -0.394 . . . . 50.0 110.603 177.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.65 -35.28 80.51 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-O 120.754 0.311 . . . . 25.0 111.179 178.749 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.11 -40.97 78.0 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.921 0.391 . . . . 25.0 110.213 178.325 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 54.4 mt -65.38 -33.7 76.57 Favored 'General case' 0 C--O 1.217 -0.657 0 O-C-N 121.991 -0.443 . . . . 50.0 110.988 -178.455 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -59.8 -37.81 80.18 Favored 'General case' 0 C--O 1.215 -0.727 0 CA-C-O 121.252 0.548 . . . . 50.0 110.798 177.647 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 36.9 t -75.21 -42.43 55.58 Favored 'General case' 0 C--O 1.22 -0.454 0 O-C-N 121.69 -0.632 . . . . 25.0 112.317 175.748 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 60.7 mt-30 -64.62 -40.94 96.37 Favored 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 114.334 1.235 . . . . 50.0 114.334 -175.691 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 81.6 p -102.62 6.32 39.65 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-N 115.871 -0.604 . . . . 25.0 111.9 -173.438 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -43.04 -69.03 0.15 Allowed 'General case' 0 C--O 1.242 0.67 0 N-CA-C 114.708 1.373 . . . . 25.0 114.708 -174.746 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.9 p -74.63 -28.02 21.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 121.79 -0.569 . . . . 50.0 111.607 -174.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -58.98 -48.21 82.37 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.886 -0.413 . . . . 50.0 109.886 179.626 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 19.1 m-30 -80.46 -29.48 37.48 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 120.895 -0.322 . . . . 50.0 110.967 179.603 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 15.8 tt0 -62.93 -43.17 99.52 Favored 'General case' 0 C--O 1.221 -0.431 0 O-C-N 121.788 -0.57 . . . . 50.0 112.493 -179.444 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -65.56 -39.11 91.31 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 120.61 -0.436 . . . . 50.0 110.534 -179.633 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 54.9 t80 -67.25 -39.99 86.23 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.872 0.368 . . . . 50.0 111.023 177.146 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.87 -36.49 84.51 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.673 0.273 . . . . 25.0 110.748 179.061 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.29 -29.81 66.66 Favored 'General case' 0 C--O 1.205 -1.282 0 CA-C-N 116.607 -0.269 . . . . 25.0 110.48 179.217 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -70.12 -31.48 69.05 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.226 0.536 . . . . 50.0 110.208 178.261 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 9.2 mm100 -87.82 -46.88 9.05 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 115.858 -0.61 . . . . 50.0 111.394 -175.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -122.17 68.92 28.48 Favored Pre-proline 0 C--O 1.242 0.669 0 CA-C-N 116.378 -0.374 . . . . 50.0 110.43 -178.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -68.7 140.07 45.84 Favored 'Trans proline' 0 C--O 1.216 -0.608 0 C-N-CA 116.484 -1.877 . . . . 50.0 113.048 -178.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 86.0 -22.2 12.98 Favored Glycine 0 C--O 1.216 -1.009 0 CA-C-N 115.393 -0.821 . . . . 25.0 115.09 -178.227 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -103.99 85.24 2.37 Favored 'General case' 0 CA--C 1.507 -0.703 0 CA-C-N 118.518 1.159 . . . . 50.0 111.818 -175.198 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 39.5 t80 -51.15 -43.87 61.3 Favored 'General case' 0 C--O 1.218 -0.565 0 C-N-CA 122.459 0.304 . . . . 50.0 111.153 179.085 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 19.1 pt-20 -61.2 -43.31 99.08 Favored 'General case' 0 C--O 1.213 -0.847 0 N-CA-C 113.242 0.83 . . . . 50.0 113.242 -178.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 87.8 mm-40 -71.51 -35.35 70.71 Favored 'General case' 0 CA--C 1.507 -0.677 0 N-CA-C 109.728 -0.471 . . . . 50.0 109.728 -179.01 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 64.6 mt-30 -58.63 -37.83 76.74 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.06 -1.089 . . . . 50.0 108.06 176.544 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 76.1 mm-40 -73.57 -36.91 65.64 Favored 'General case' 0 N--CA 1.47 0.565 0 O-C-N 121.529 -0.732 . . . . 50.0 111.289 -175.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 75.3 mt -62.12 -43.93 98.39 Favored 'Isoleucine or valine' 0 C--O 1.238 0.5 0 N-CA-C 108.701 -0.852 . . . . 50.0 108.701 177.664 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 40.7 tp -64.47 -48.96 73.26 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.552 -0.459 . . . . 50.0 110.81 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 83.5 mt -58.92 -38.25 72.12 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.598 0 N-CA-C 111.914 0.338 . . . . 50.0 111.914 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 61.9 mtp180 -57.33 -43.58 83.47 Favored 'General case' 0 C--N 1.327 -0.381 0 O-C-N 121.739 -0.601 . . . . 50.0 110.565 178.212 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 82.7 mt-30 -77.21 -30.47 54.72 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 112.229 0.455 . . . . 25.0 112.229 -178.332 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 91.3 mt -64.21 -41.33 97.09 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.637 0.732 . . . . 50.0 109.082 177.115 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 21.4 mt-30 -69.39 -37.29 77.45 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.985 -0.552 . . . . 50.0 110.193 179.576 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 48.8 tt0 -61.92 -45.11 95.12 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.819 0.818 . . . . 25.0 109.853 178.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 14.4 tp60 -65.68 -38.04 88.15 Favored 'General case' 0 C--N 1.321 -0.662 0 O-C-N 121.292 -0.88 . . . . 25.0 112.173 -179.347 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 60.4 t60 -65.61 -26.38 67.8 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.222 0.534 . . . . 50.0 112.054 -178.69 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 19.6 t80 -60.12 -32.54 71.11 Favored 'General case' 0 C--O 1.243 0.757 0 N-CA-C 113.089 0.774 . . . . 25.0 113.089 179.334 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 -61.45 -40.23 93.72 Favored 'General case' 0 N--CA 1.478 0.956 0 CA-C-N 116.537 -0.301 . . . . 25.0 110.509 -179.573 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -71.61 -36.39 70.78 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.986 0.422 . . . . 50.0 110.263 -178.468 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 18.1 t80 -60.87 -41.11 95.31 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.302 0.572 . . . . 50.0 109.706 176.498 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.7 -41.27 79.38 Favored 'General case' 0 C--N 1.322 -0.603 0 O-C-N 121.865 -0.522 . . . . 50.0 111.093 179.744 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 40.6 tt0 -61.71 -40.0 93.49 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.221 -0.445 . . . . 25.0 110.686 177.627 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -62.07 -46.6 88.41 Favored 'General case' 0 N--CA 1.466 0.333 0 N-CA-C 109.583 -0.525 . . . . 50.0 109.583 179.006 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 57.4 mt -60.17 -32.97 71.56 Favored 'General case' 0 N--CA 1.474 0.725 0 N-CA-C 112.795 0.665 . . . . 25.0 112.795 -178.231 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -64.92 -38.29 90.47 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 120.629 -0.428 . . . . 25.0 110.551 177.551 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 68.1 mt-30 -75.29 -32.27 60.96 Favored 'General case' 0 C--N 1.323 -0.578 0 O-C-N 121.709 -0.619 . . . . 25.0 109.703 -179.641 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 74.5 t -65.09 -37.3 79.86 Favored 'Isoleucine or valine' 0 C--O 1.245 0.83 0 N-CA-C 109.866 -0.42 . . . . 50.0 109.866 175.597 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -64.56 -43.89 92.47 Favored 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 120.419 -0.513 . . . . 50.0 110.305 178.036 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 84.6 mt -65.33 -35.33 80.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 123.266 0.354 . . . . 25.0 110.418 178.137 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.18 -42.18 98.11 Favored 'General case' 0 N--CA 1.47 0.528 0 O-C-N 122.027 -0.42 . . . . 25.0 110.342 178.682 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -68.93 -34.93 76.17 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 120.489 -0.484 . . . . 50.0 110.27 179.067 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -65.44 -46.73 78.74 Favored 'General case' 0 C--O 1.219 -0.511 0 O-C-N 121.868 -0.52 . . . . 50.0 110.907 179.626 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 15.3 pt20 -69.06 -29.02 67.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 121.561 -0.712 . . . . 50.0 111.392 -178.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.12 -30.56 71.5 Favored 'General case' 0 C--O 1.214 -0.807 0 N-CA-C 112.682 0.623 . . . . 25.0 112.682 175.339 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -89.29 -27.6 20.44 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.677 0.751 . . . . 25.0 111.659 178.272 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 32.9 mt -80.06 -43.27 22.14 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 122.007 -0.433 . . . . 50.0 110.3 -175.758 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 44.35 43.16 5.88 Favored 'General case' 0 CA--C 1.55 0.962 0 N-CA-C 113.503 0.927 . . . . 25.0 113.503 -179.288 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 13.3 mptt -81.41 31.68 0.34 Allowed 'General case' 0 N--CA 1.478 0.951 0 N-CA-C 114.589 1.329 . . . . 50.0 114.589 -173.655 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 97.6 mm-40 -125.09 76.49 1.54 Allowed 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 106.95 -1.5 . . . . 50.0 106.95 175.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.21 -1.014 0 CA-C-O 125.525 2.583 . . . . 25.0 111.007 -176.662 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.199 -1.595 0 CA-C-O 122.748 1.261 . . . . 25.0 114.158 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 41.9 tt0 -90.67 -37.09 13.98 Favored 'General case' 0 C--O 1.239 0.517 0 N-CA-C 107.895 -1.15 . . . . 25.0 107.895 177.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -135.84 145.31 46.28 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.111 0.412 . . . . 25.0 112.111 -178.231 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 58.3 mtmt -63.26 -23.38 67.39 Favored 'General case' 0 C--N 1.313 -0.984 0 N-CA-C 111.862 0.319 . . . . 25.0 111.862 177.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -62.8 -26.41 68.72 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 112.76 0.652 . . . . 25.0 112.76 177.024 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -67.18 -38.6 85.68 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.093 -0.706 . . . . 50.0 109.093 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 38.4 mt -69.17 -43.34 81.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 108.322 -0.992 . . . . 50.0 108.322 179.642 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 66.5 mmm -60.64 -42.06 96.16 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 116.222 -0.445 . . . . 50.0 111.822 179.465 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.59 -40.33 95.34 Favored 'General case' 0 C--O 1.242 0.703 0 CA-C-O 121.511 0.672 . . . . 25.0 110.879 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.85 -45.9 80.47 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 115.87 -0.605 . . . . 25.0 110.837 -179.486 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 74.7 mt -62.67 -41.37 99.05 Favored 'General case' 0 C--O 1.232 0.148 0 C-N-CA 120.787 -0.365 . . . . 50.0 110.267 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 6.0 m-80 -61.38 -36.08 79.25 Favored 'General case' 0 CA--C 1.511 -0.557 0 CA-C-O 121.087 0.47 . . . . 50.0 109.858 -179.582 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 21.6 m -68.76 -45.0 72.53 Favored 'General case' 0 C--O 1.208 -1.08 0 CA-C-O 121.565 0.698 . . . . 25.0 112.248 177.465 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 31.0 mm100 -66.69 -25.15 66.41 Favored 'General case' 0 C--O 1.235 0.313 0 N-CA-C 113.513 0.931 . . . . 50.0 113.513 -175.319 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 56.0 p -118.96 10.94 12.37 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 113.121 0.785 . . . . 25.0 113.121 -174.342 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.51 -66.21 0.42 Allowed 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 113.146 0.795 . . . . 25.0 113.146 -177.026 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 10.9 p -70.79 -28.55 34.34 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.765 0 CA-C-O 121.996 0.903 . . . . 50.0 109.961 -176.711 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 39.9 tt0 -61.14 -45.42 94.71 Favored 'General case' 0 C--O 1.218 -0.589 0 CA-C-O 121.885 0.85 . . . . 50.0 111.109 -178.443 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 19.0 m-30 -78.3 -26.03 46.82 Favored 'General case' 0 CA--C 1.504 -0.795 0 CA-C-N 115.794 -0.639 . . . . 50.0 110.981 177.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 44.5 tt0 -64.21 -41.09 97.19 Favored 'General case' 0 N--CA 1.472 0.631 0 O-C-N 121.305 -0.872 . . . . 50.0 110.34 178.123 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 82.9 mt-30 -63.95 -41.14 97.68 Favored 'General case' 0 C--O 1.241 0.655 0 CA-C-N 116.27 -0.423 . . . . 50.0 110.779 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 57.2 t80 -67.22 -41.64 85.38 Favored 'General case' 0 C--O 1.208 -1.097 0 CA-C-O 121.691 0.758 . . . . 50.0 110.49 177.353 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.59 -41.28 97.2 Favored 'General case' 0 C--N 1.344 0.336 0 CA-C-N 115.867 -0.606 . . . . 25.0 109.453 -178.529 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.44 -30.22 69.05 Favored 'General case' 0 C--O 1.207 -1.149 0 CA-C-O 121.102 0.477 . . . . 25.0 110.768 -179.777 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -69.45 -26.36 64.55 Favored 'General case' 0 C--N 1.311 -1.089 0 CA-C-N 116.262 -0.426 . . . . 50.0 110.891 179.113 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 28.4 mm100 -95.49 -41.93 8.71 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 113.398 0.888 . . . . 50.0 113.398 -176.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 24.6 m-85 -122.89 68.39 34.09 Favored Pre-proline 0 C--O 1.253 1.27 0 CA-C-O 121.688 0.756 . . . . 50.0 111.299 179.749 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_endo -71.07 138.27 33.35 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 115.91 -2.26 . . . . 50.0 113.231 -177.491 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 82.95 -9.35 60.38 Favored Glycine 0 N--CA 1.463 0.461 0 O-C-N 121.942 -0.474 . . . . 25.0 114.268 -178.347 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -114.16 81.41 1.53 Allowed 'General case' 0 C--O 1.227 -0.112 0 O-C-N 121.784 -0.833 . . . . 50.0 111.71 -176.549 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 11.1 t80 -54.19 -39.64 66.82 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.721 -0.672 . . . . 50.0 111.651 179.689 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -60.27 -45.98 91.41 Favored 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 112.437 0.532 . . . . 50.0 112.437 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -73.64 -32.49 64.06 Favored 'General case' 0 CA--C 1.503 -0.833 0 O-C-N 121.755 -0.591 . . . . 50.0 111.39 -177.652 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 66.6 mt-30 -60.18 -38.66 83.91 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.61 -0.723 . . . . 50.0 110.755 173.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 93.0 mm-40 -72.2 -36.92 69.32 Favored 'General case' 0 C--N 1.32 -0.695 0 O-C-N 122.07 -0.394 . . . . 50.0 110.755 -178.3 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 65.1 mt -66.17 -46.32 87.86 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.427 0 N-CA-C 109.988 -0.375 . . . . 50.0 109.988 178.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 19.7 tp -55.98 -46.53 78.65 Favored 'General case' 0 C--O 1.244 0.792 0 N-CA-C 113.204 0.816 . . . . 50.0 113.204 -177.059 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 68.1 mt -56.63 -35.21 44.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 C-N-CA 122.907 0.483 . . . . 50.0 111.346 -178.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 89.5 mtt180 -60.68 -44.71 96.18 Favored 'General case' 0 N--CA 1.471 0.581 0 O-C-N 121.456 -0.777 . . . . 50.0 111.338 178.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.5 mp0 -66.94 -39.08 87.21 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.943 -0.571 . . . . 25.0 111.546 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 92.0 mt -59.75 -50.09 75.19 Favored 'General case' 0 C--N 1.312 -1.042 0 CA-C-O 121.276 0.56 . . . . 50.0 110.206 177.684 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 45.8 mm-40 -61.44 -42.21 98.39 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.438 -0.347 . . . . 50.0 111.68 -176.623 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 63.5 tt0 -65.26 -45.42 84.6 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 109.512 -0.551 . . . . 25.0 109.512 -178.108 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 40.5 tt0 -64.77 -41.07 96.14 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-O 121.601 0.715 . . . . 25.0 112.229 -179.505 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 50.8 m-70 -66.9 -21.6 65.99 Favored 'General case' 0 C--O 1.241 0.647 0 O-C-N 121.245 -0.909 . . . . 50.0 112.533 -176.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 41.5 t80 -60.88 -32.38 71.83 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-O 122.178 0.99 . . . . 25.0 112.839 173.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -61.89 -42.58 99.24 Favored 'General case' 0 N--CA 1.482 1.156 0 O-C-N 121.773 -0.58 . . . . 25.0 109.805 -179.454 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 40.6 tt0 -68.36 -36.65 79.54 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.98 -0.555 . . . . 50.0 110.461 -179.602 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 20.9 t80 -62.73 -36.55 83.36 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.94 0.4 . . . . 50.0 111.644 178.237 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.04 -43.43 92.38 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 120.182 -0.607 . . . . 50.0 110.421 176.29 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -61.97 -37.82 86.2 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-O 121.549 0.69 . . . . 25.0 110.654 177.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 60.8 tt0 -68.12 -44.37 76.31 Favored 'General case' 0 CA--C 1.513 -0.459 0 O-C-N 121.844 -0.535 . . . . 50.0 110.866 178.562 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 29.2 mt -58.77 -34.18 71.14 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 120.429 -0.508 . . . . 25.0 112.061 -178.616 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -59.19 -43.3 92.21 Favored 'General case' 0 CA--C 1.55 0.978 0 O-C-N 122.167 -0.333 . . . . 25.0 110.363 176.73 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 64.8 mt-30 -71.47 -33.06 68.98 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 120.24 -0.584 . . . . 25.0 111.531 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 92.5 t -65.17 -40.13 87.78 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 CA-C-O 121.475 0.655 . . . . 50.0 109.955 176.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -60.9 -45.1 95.96 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 121.773 -0.579 . . . . 50.0 110.726 177.355 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 40.9 mt -65.89 -34.53 78.34 Favored 'General case' 0 C--N 1.31 -1.112 0 CA-C-O 120.672 0.272 . . . . 25.0 111.158 179.75 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.52 -36.85 85.53 Favored 'General case' 0 C--O 1.219 -0.507 0 O-C-N 121.749 -0.595 . . . . 25.0 110.487 179.253 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -72.53 -26.69 61.85 Favored 'General case' 0 N--CA 1.442 -0.865 0 O-C-N 122.055 -0.403 . . . . 50.0 111.97 176.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -68.56 -38.19 80.55 Favored 'General case' 0 C--O 1.208 -1.087 0 N-CA-C 108.555 -0.906 . . . . 50.0 108.555 172.458 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 15.3 mm-40 -66.19 -37.22 85.09 Favored 'General case' 0 C--N 1.318 -0.772 0 O-C-N 121.697 -0.627 . . . . 50.0 109.702 177.277 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -62.67 -32.71 73.82 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 122.382 0.273 . . . . 25.0 111.504 179.312 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -76.32 -33.17 59.03 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 116.431 -0.35 . . . . 25.0 111.381 177.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 78.0 mt -81.62 -38.49 25.92 Favored 'General case' 0 C--O 1.217 -0.609 0 N-CA-C 112.557 0.577 . . . . 50.0 112.557 -175.585 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 90.6 mm-40 52.42 39.9 28.5 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 124.581 1.152 . . . . 25.0 111.184 -175.497 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 19.9 tttt -131.55 17.0 4.85 Favored 'General case' 0 N--CA 1.48 1.074 0 N-CA-C 117.63 2.456 . . . . 50.0 117.63 -173.355 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -78.33 51.49 1.03 Allowed 'General case' 0 C--N 1.315 -0.918 0 CA-C-O 122.718 1.247 . . . . 50.0 112.981 177.731 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 28.9 pt20 . . . . . 0 C--O 1.213 -0.846 0 CA-C-O 123.85 1.786 . . . . 25.0 113.772 -176.122 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.6 mpp? . . . . . 0 N--CA 1.472 0.67 0 CA-C-O 124.064 1.888 . . . . 25.0 112.377 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.1 pm0 -91.52 158.77 16.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 113.948 -1.478 . . . . 25.0 110.351 -177.107 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 54.88 18.03 2.03 Favored 'General case' 0 N--CA 1.479 0.99 0 N-CA-C 116.147 1.906 . . . . 25.0 116.147 176.217 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 56.1 mtmt -56.67 -35.55 68.57 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 114.292 1.219 . . . . 25.0 114.292 179.232 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 92.2 mt-30 -69.44 -24.46 63.82 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 112.094 0.405 . . . . 25.0 112.094 179.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 67.5 mm-40 -66.65 -39.33 88.19 Favored 'General case' 0 N--CA 1.466 0.374 0 N-CA-C 108.042 -1.096 . . . . 50.0 108.042 176.794 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 57.5 mt -67.77 -41.27 85.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 108.959 -0.756 . . . . 50.0 108.959 -179.779 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 87.7 mtp -63.63 -32.62 74.16 Favored 'General case' 0 C--N 1.321 -0.632 0 O-C-N 121.645 -0.66 . . . . 50.0 112.101 178.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.17 -38.86 78.92 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.784 0.326 . . . . 25.0 110.143 178.017 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.1 -42.02 85.27 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-O 120.889 0.376 . . . . 25.0 110.199 178.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 73.2 mt -63.06 -37.49 87.42 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-N 116.045 -0.525 . . . . 50.0 109.751 177.697 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -59.32 -38.46 80.33 Favored 'General case' 0 C--O 1.216 -0.692 0 C-N-CA 121.141 -0.224 . . . . 50.0 111.315 179.062 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 46.4 t -68.9 -44.92 72.23 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.347 0.594 . . . . 25.0 110.73 -179.708 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 94.4 mm-40 -65.66 -28.94 69.46 Favored 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 113.922 1.082 . . . . 50.0 113.922 -178.727 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 69.6 p -110.56 6.25 21.77 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 113.576 0.954 . . . . 25.0 113.576 -174.179 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.28 -72.5 0.05 Allowed 'General case' 0 C--O 1.219 -0.503 0 N-CA-C 113.096 0.776 . . . . 25.0 113.096 -174.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.0 p -69.74 -25.92 29.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 121.195 0.521 . . . . 50.0 109.821 -176.665 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 15.9 tt0 -59.88 -50.63 73.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.903 -0.589 . . . . 50.0 110.48 -179.604 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 19.5 m-30 -85.7 -20.82 28.8 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.191 -0.459 . . . . 50.0 111.077 -178.066 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 60.4 tt0 -61.64 -48.61 80.1 Favored 'General case' 0 N--CA 1.473 0.691 0 O-C-N 121.684 -0.635 . . . . 50.0 112.024 178.406 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 96.2 mm-40 -67.44 -34.91 78.19 Favored 'General case' 0 N--CA 1.451 -0.383 0 N-CA-C 109.349 -0.611 . . . . 50.0 109.349 -177.277 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 64.1 t80 -66.29 -43.02 87.54 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 121.735 -0.603 . . . . 50.0 111.109 175.357 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.3 -37.86 88.98 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 121.948 -0.47 . . . . 25.0 110.531 -177.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.44 -28.23 68.44 Favored 'General case' 0 C--O 1.216 -0.658 0 CA-C-N 116.699 -0.228 . . . . 25.0 110.643 177.05 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 21.1 tt0 -73.11 -20.54 60.91 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.179 -0.464 . . . . 50.0 111.418 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 97.8 mm-40 -100.32 -49.19 4.33 Favored 'General case' 0 N--CA 1.475 0.818 0 CA-C-N 116.12 -0.491 . . . . 50.0 111.116 -178.512 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 18.9 m-85 -119.62 69.9 12.56 Favored Pre-proline 0 C--O 1.247 0.95 0 CA-C-O 121.05 0.452 . . . . 50.0 110.875 -178.045 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 69.0 Cg_endo -70.08 141.84 44.97 Favored 'Trans proline' 0 C--O 1.212 -0.791 0 C-N-CA 116.393 -1.938 . . . . 50.0 112.862 -178.38 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 81.32 -9.47 54.37 Favored Glycine 0 CA--C 1.526 0.75 0 N-CA-C 114.931 0.733 . . . . 25.0 114.931 -179.01 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -111.35 83.49 1.78 Allowed 'General case' 0 CA--C 1.512 -0.518 0 O-C-N 121.695 -0.885 . . . . 50.0 110.866 -175.508 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 59.0 t80 -54.05 -47.52 71.55 Favored 'General case' 0 N--CA 1.466 0.327 0 N-CA-C 112.048 0.388 . . . . 50.0 112.048 -178.54 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -58.12 -44.87 87.96 Favored 'General case' 0 C--O 1.247 0.923 0 O-C-N 121.807 -0.558 . . . . 50.0 111.947 -176.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 91.1 mt-30 -69.98 -36.95 75.59 Favored 'General case' 0 CA--C 1.503 -0.861 0 CA-C-N 116.334 -0.394 . . . . 50.0 111.048 -177.269 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 70.5 mt-30 -59.37 -37.26 77.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.967 -0.561 . . . . 50.0 110.303 177.632 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 28.5 mm-40 -70.59 -39.68 73.71 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.254 0.549 . . . . 50.0 109.937 -176.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 77.0 mt -62.25 -43.36 97.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.326 -0.397 . . . . 50.0 109.99 177.735 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 36.8 tp -63.21 -45.96 89.24 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.089 -0.505 . . . . 50.0 111.059 -177.696 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 64.1 mt -59.03 -40.65 81.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.463 -0.335 . . . . 50.0 111.515 178.185 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 35.6 mtp180 -62.23 -42.77 99.61 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 120.265 -0.574 . . . . 50.0 109.645 178.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 62.0 tt0 -59.97 -42.43 94.11 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-O 121.032 0.444 . . . . 25.0 110.486 179.051 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 51.1 mt -64.23 -42.92 96.34 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.35 -0.386 . . . . 50.0 110.101 179.677 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -71.31 -39.1 71.66 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 113.26 0.837 . . . . 50.0 113.26 -178.445 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -68.53 -38.32 80.75 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.844 0.354 . . . . 25.0 110.797 179.576 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 19.5 mm100 -66.04 -42.96 88.86 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-O 121.072 0.463 . . . . 25.0 110.251 172.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 25.1 t60 -62.87 -28.22 69.89 Favored 'General case' 0 C--N 1.328 -0.36 0 O-C-N 122.128 -0.357 . . . . 50.0 110.88 179.31 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 59.9 t80 -58.12 -42.7 86.36 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 121.784 -0.573 . . . . 25.0 110.956 -179.417 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 93.0 mm-40 -66.28 -41.81 89.3 Favored 'General case' 0 C--O 1.251 1.18 0 N-CA-C 109.502 -0.555 . . . . 25.0 109.502 -179.405 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 37.7 tt0 -62.26 -41.91 98.86 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 121.081 0.467 . . . . 50.0 110.76 178.699 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 56.7 t80 -66.53 -38.98 88.32 Favored 'General case' 0 C--O 1.217 -0.611 0 CA-C-N 116.141 -0.481 . . . . 50.0 111.753 179.495 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.59 -37.21 86.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 121.996 -0.44 . . . . 50.0 110.902 178.549 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 40.7 tt0 -71.1 -40.59 71.42 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.774 -0.37 . . . . 25.0 110.144 176.531 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 60.1 tt0 -59.28 -43.83 92.5 Favored 'General case' 0 C--N 1.32 -0.678 0 O-C-N 122.538 -0.101 . . . . 50.0 110.895 179.562 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 65.2 mt -58.53 -31.88 68.35 Favored 'General case' 0 CA--C 1.538 0.514 0 N-CA-C 113.076 0.769 . . . . 25.0 113.076 -179.337 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -69.34 -38.32 78.11 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.038 0.446 . . . . 25.0 111.465 176.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -70.37 -36.89 74.41 Favored 'General case' 0 C--O 1.21 -1.022 0 N-CA-C 109.256 -0.646 . . . . 25.0 109.256 178.706 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 76.5 t -67.55 -39.79 83.05 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 O-C-N 122.125 -0.36 . . . . 50.0 110.078 177.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.3 mm-40 -57.59 -52.51 65.12 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.28 0.562 . . . . 50.0 110.49 177.151 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.3 pp -70.04 -29.11 66.07 Favored 'General case' 0 C--N 1.329 -0.291 0 O-C-N 122.162 -0.336 . . . . 25.0 111.531 -177.023 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.18 -41.52 88.64 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.176 0.512 . . . . 25.0 110.408 178.452 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 63.4 mt-30 -65.97 -35.16 79.84 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.569 -0.453 . . . . 50.0 110.248 -178.429 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 73.8 mm-40 -66.06 -50.81 62.83 Favored 'General case' 0 CA--C 1.514 -0.433 0 CA-C-O 121.229 0.537 . . . . 50.0 110.088 -179.496 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 16.5 pt20 -67.68 -27.61 66.98 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 113.041 0.756 . . . . 50.0 113.041 -177.239 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.57 -34.42 78.22 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.893 0.378 . . . . 25.0 111.116 178.332 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -87.05 -23.09 25.07 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.313 -0.403 . . . . 25.0 111.63 -179.52 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 57.1 mt -90.46 -48.54 7.04 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.273 0.472 . . . . 50.0 112.273 -176.085 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 50.26 24.92 1.62 Allowed 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 123.808 0.843 . . . . 25.0 113.099 -177.682 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 24.7 ttpt -95.37 39.19 1.12 Allowed 'General case' 0 CA--C 1.535 0.401 0 O-C-N 121.415 -0.803 . . . . 50.0 112.718 -174.337 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -85.61 58.81 5.25 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-O 122.798 1.285 . . . . 50.0 110.841 179.076 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 25.7 pt20 . . . . . 0 C--O 1.209 -1.063 0 CA-C-O 123.535 1.636 . . . . 25.0 111.609 -177.968 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.7 ttt . . . . . 0 N--CA 1.483 1.221 0 CA-C-O 124.663 2.173 . . . . 25.0 113.144 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 32.0 tt0 -128.78 159.31 36.1 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 113.694 -1.593 . . . . 25.0 110.051 -178.404 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 22.9 tt0 59.68 22.73 11.5 Favored 'General case' 0 N--CA 1.483 1.188 0 CA-C-O 122.75 1.262 . . . . 25.0 114.206 -178.548 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 25.7 mtpp -81.5 -31.72 32.74 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 115.15 1.537 . . . . 25.0 115.15 -178.435 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 65.7 mt-30 -65.71 -24.42 66.98 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 113.82 1.044 . . . . 25.0 113.82 -176.153 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 -61.21 -42.61 98.89 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.963 0.887 . . . . 50.0 109.179 177.689 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 28.7 mt -70.52 -40.21 77.08 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.492 0 CA-C-N 115.062 -0.972 . . . . 50.0 109.141 -178.514 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 87.3 mtp -59.28 -52.93 63.52 Favored 'General case' 0 C--O 1.22 -0.485 0 CA-C-N 116.372 -0.376 . . . . 50.0 110.533 179.136 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.33 -39.23 86.31 Favored 'General case' 0 C--N 1.322 -0.616 0 O-C-N 123.279 0.362 . . . . 25.0 111.365 -178.029 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.56 -44.82 96.34 Favored 'General case' 0 C--N 1.322 -0.618 0 C-N-CA 120.394 -0.522 . . . . 25.0 110.154 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 91.9 mt -71.29 -41.1 70.39 Favored 'General case' 0 C--O 1.22 -0.449 0 CA-C-O 120.707 0.289 . . . . 50.0 111.161 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 11.8 m120 -63.9 -31.33 72.47 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 116.67 -0.241 . . . . 50.0 111.569 -175.61 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 50.8 m -63.65 -34.56 78.11 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.229 0.538 . . . . 25.0 110.334 -179.402 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 11.5 mm100 -74.76 -20.6 59.75 Favored 'General case' 0 N--CA 1.468 0.433 0 N-CA-C 112.606 0.595 . . . . 50.0 112.606 -179.616 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 66.8 p -114.2 3.27 15.11 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 113.67 0.989 . . . . 25.0 113.67 -174.665 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -54.35 -63.58 1.11 Allowed 'General case' 0 C--O 1.246 0.907 0 N-CA-C 112.939 0.718 . . . . 25.0 112.939 -173.744 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.9 p -72.03 -24.8 22.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 121.425 0.631 . . . . 50.0 111.324 -177.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -61.16 -47.43 86.21 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.737 0.78 . . . . 50.0 110.36 177.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 -69.06 -32.15 71.42 Favored 'General case' 0 N--CA 1.439 -1.006 0 CA-C-N 115.951 -0.568 . . . . 50.0 111.419 176.64 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 40.6 tt0 -64.11 -39.16 93.45 Favored 'General case' 0 CA--C 1.533 0.293 0 O-C-N 122.135 -0.353 . . . . 50.0 111.319 -179.249 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 81.5 mt-30 -64.73 -44.39 90.33 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.794 -0.184 . . . . 50.0 110.544 176.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 91.1 t80 -65.41 -39.91 92.73 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.233 0.539 . . . . 50.0 110.876 178.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.37 -35.36 78.92 Favored 'General case' 0 C--N 1.322 -0.605 0 O-C-N 121.525 -0.734 . . . . 25.0 111.17 179.642 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.33 -28.12 67.71 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 122.105 -0.372 . . . . 25.0 111.625 177.394 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 26.3 tt0 -76.2 -26.06 55.78 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 121.371 0.605 . . . . 50.0 110.831 179.137 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 80.6 mm-40 -90.42 -49.2 6.65 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.579 -0.737 . . . . 50.0 112.46 -177.105 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -122.71 71.87 40.56 Favored Pre-proline 0 C--N 1.331 -0.228 0 CA-C-N 115.882 -0.599 . . . . 50.0 110.248 -177.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_endo -70.55 135.59 28.92 Favored 'Trans proline' 0 CA--C 1.532 0.388 0 C-N-CA 116.58 -1.813 . . . . 50.0 112.945 -178.181 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 83.53 -10.94 57.97 Favored Glycine 0 CA--C 1.528 0.893 0 N-CA-C 115.099 0.799 . . . . 25.0 115.099 -178.64 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 21.7 m120 -108.27 86.86 2.37 Favored 'General case' 0 C--O 1.223 -0.291 0 CA-C-N 117.839 0.819 . . . . 50.0 110.617 -178.262 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 71.6 t80 -55.98 -46.67 78.59 Favored 'General case' 0 C--O 1.21 -1.0 0 N-CA-C 112.887 0.699 . . . . 50.0 112.887 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -60.5 -44.11 96.32 Favored 'General case' 0 CA--C 1.541 0.617 0 O-C-N 121.403 -0.811 . . . . 50.0 111.338 -178.512 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -70.22 -34.77 73.3 Favored 'General case' 0 CA--C 1.507 -0.691 0 O-C-N 121.805 -0.559 . . . . 50.0 110.543 -176.734 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 73.0 mt-30 -60.04 -38.19 82.03 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 108.845 -0.798 . . . . 50.0 108.845 174.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 76.4 mm-40 -72.09 -38.74 69.31 Favored 'General case' 0 C--O 1.24 0.602 0 N-CA-C 109.283 -0.636 . . . . 50.0 109.283 -174.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 82.1 mt -62.28 -43.11 97.65 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.255 0 N-CA-C 108.528 -0.915 . . . . 50.0 108.528 -179.735 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 51.5 tp -63.21 -48.74 77.03 Favored 'General case' 0 C--O 1.215 -0.712 0 C-N-CA 120.75 -0.38 . . . . 50.0 111.248 179.024 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 67.2 mt -56.79 -37.34 53.01 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 O-C-N 122.024 -0.423 . . . . 50.0 111.656 179.737 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 34.6 mmt180 -61.83 -48.46 80.48 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 121.884 -0.51 . . . . 50.0 109.924 176.758 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 49.3 tt0 -60.18 -43.59 95.74 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.367 -0.379 . . . . 25.0 110.663 -179.067 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 72.1 mt -65.04 -36.98 86.1 Favored 'General case' 0 CA--C 1.544 0.74 0 N-CA-C 112.325 0.491 . . . . 50.0 112.325 -178.699 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -63.99 -42.71 97.1 Favored 'General case' 0 C--N 1.322 -0.627 0 O-C-N 121.919 -0.488 . . . . 50.0 110.192 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 90.2 mt-10 -73.99 -36.74 64.54 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.745 0.307 . . . . 25.0 110.856 179.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 42.5 tt0 -60.51 -43.34 97.2 Favored 'General case' 0 C--N 1.319 -0.75 0 O-C-N 121.557 -0.714 . . . . 25.0 111.67 176.213 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 9.1 t-80 -65.21 -31.86 73.24 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.692 0.758 . . . . 50.0 110.344 179.465 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 44.0 t80 -72.19 -40.22 68.06 Favored 'General case' 0 C--N 1.314 -0.937 0 O-C-N 121.864 -0.523 . . . . 25.0 110.993 176.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -61.53 -38.05 85.99 Favored 'General case' 0 C--N 1.327 -0.394 0 O-C-N 121.632 -0.667 . . . . 25.0 111.262 175.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -61.41 -45.35 94.69 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-O 121.454 0.645 . . . . 50.0 110.088 176.658 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 49.4 t80 -63.31 -36.49 83.87 Favored 'General case' 0 CA--C 1.547 0.846 0 O-C-N 121.595 -0.691 . . . . 50.0 110.891 177.719 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.18 -35.11 75.92 Favored 'General case' 0 C--N 1.32 -0.678 0 O-C-N 121.704 -0.623 . . . . 50.0 111.813 178.803 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 16.1 tm0? -69.63 -40.22 76.67 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 108.904 -0.776 . . . . 25.0 108.904 -178.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 6.5 tp60 -61.21 -47.85 84.2 Favored 'General case' 0 C--O 1.222 -0.352 0 N-CA-C 109.149 -0.685 . . . . 50.0 109.149 176.234 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 21.4 mt -65.76 -26.72 67.84 Favored 'General case' 0 C--O 1.21 -0.974 0 O-C-N 122.197 -0.314 . . . . 25.0 111.833 -179.01 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -67.14 -37.28 83.55 Favored 'General case' 0 C--N 1.315 -0.932 0 N-CA-C 109.713 -0.477 . . . . 25.0 109.713 177.22 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -72.53 -33.86 67.15 Favored 'General case' 0 C--O 1.238 0.49 0 N-CA-C 109.587 -0.523 . . . . 25.0 109.587 177.274 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 83.4 t -68.8 -36.22 73.21 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 CA-C-O 120.981 0.419 . . . . 50.0 111.231 176.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 10.6 mm-40 -60.35 -47.01 87.87 Favored 'General case' 0 C--O 1.221 -0.418 0 N-CA-C 109.083 -0.71 . . . . 50.0 109.083 175.153 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 67.0 mt -65.29 -33.75 76.73 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.931 -0.577 . . . . 25.0 111.49 178.65 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.93 -43.88 94.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 122.151 -0.343 . . . . 25.0 110.286 178.391 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -67.24 -34.53 77.64 Favored 'General case' 0 N--CA 1.449 -0.522 0 C-N-CA 120.123 -0.631 . . . . 50.0 110.554 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -61.73 -45.72 92.74 Favored 'General case' 0 C--O 1.212 -0.877 0 O-C-N 122.16 -0.338 . . . . 50.0 110.279 175.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 15.4 mt-30 -67.18 -34.55 77.77 Favored 'General case' 0 CA--C 1.513 -0.454 0 O-C-N 121.949 -0.469 . . . . 50.0 111.438 179.219 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.89 -30.79 71.81 Favored 'General case' 0 C--O 1.211 -0.957 0 N-CA-C 112.231 0.456 . . . . 25.0 112.231 177.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -80.14 -35.73 36.21 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.107 0.48 . . . . 25.0 110.927 177.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 57.5 mt -74.73 -41.28 60.42 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.089 -0.505 . . . . 50.0 111.505 -176.575 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 48.79 38.85 12.7 Favored 'General case' 0 N--CA 1.476 0.848 0 O-C-N 124.606 1.191 . . . . 25.0 111.247 -176.284 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 29.2 ttmt -118.92 26.78 9.29 Favored 'General case' 0 CA--C 1.514 -0.43 0 CA-C-O 122.392 1.091 . . . . 50.0 110.491 -177.068 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 7.9 tp-100 -118.93 98.2 6.07 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 114.77 -1.104 . . . . 50.0 108.879 -178.326 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 . . . . . 0 CA--C 1.565 1.52 0 CA-C-O 125.797 2.713 . . . . 25.0 114.066 -178.181 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.8 mpt? . . . . . 0 N--CA 1.482 1.16 0 CA-C-O 123.195 1.474 . . . . 25.0 113.549 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 25.7 mp0 -80.75 71.92 7.69 Favored 'General case' 0 C--N 1.351 0.631 0 CA-C-O 122.271 1.034 . . . . 25.0 108.896 179.319 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 95.0 mm-40 -116.82 168.01 10.59 Favored 'General case' 0 N--CA 1.475 0.812 0 O-C-N 120.499 -1.375 . . . . 25.0 111.566 -179.705 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 66.2 mttm 62.71 -44.21 0.19 Allowed 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 116.277 1.954 . . . . 25.0 116.277 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 57.4 mt-30 -67.22 -22.65 65.69 Favored 'General case' 0 C--O 1.212 -0.886 0 N-CA-C 109.41 -0.589 . . . . 25.0 109.41 175.044 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 98.2 mm-40 -61.02 -45.45 94.75 Favored 'General case' 0 C--O 1.207 -1.179 0 CA-C-N 115.658 -0.701 . . . . 50.0 111.566 170.772 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 56.8 mt -65.32 -43.64 94.95 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 N-CA-C 108.603 -0.888 . . . . 50.0 108.603 178.673 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 65.8 mtp -60.33 -38.58 84.2 Favored 'General case' 0 C--O 1.207 -1.157 0 CA-C-O 119.094 -0.479 . . . . 50.0 111.925 177.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.24 -40.79 90.47 Favored 'General case' 0 CA--C 1.512 -0.485 0 CA-C-N 118.313 0.506 . . . . 25.0 110.432 179.715 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.22 -34.27 75.94 Favored 'General case' 0 CA--C 1.555 1.159 0 CA-C-O 121.631 0.729 . . . . 25.0 110.355 179.574 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 57.7 mt -72.52 -43.97 62.83 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.833 -0.621 . . . . 50.0 112.635 178.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 -58.57 -36.59 74.19 Favored 'General case' 0 CA--C 1.506 -0.723 0 N-CA-C 109.585 -0.524 . . . . 50.0 109.585 179.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 70.3 m -61.17 -29.06 69.57 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 115.461 -0.79 . . . . 25.0 112.133 -178.172 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -83.06 -27.58 30.17 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.788 0.804 . . . . 50.0 110.583 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 69.1 p -102.22 -8.21 21.5 Favored 'General case' 0 C--O 1.214 -0.789 0 N-CA-C 113.912 1.079 . . . . 25.0 113.912 -170.556 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -49.57 -70.59 0.08 Allowed 'General case' 0 CA--C 1.548 0.887 0 N-CA-C 115.198 1.555 . . . . 25.0 115.198 -173.363 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.3 p -69.4 -23.68 26.74 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.316 0 CA-C-O 121.874 0.845 . . . . 50.0 110.563 -179.707 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 39.2 tt0 -66.26 -49.51 66.9 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-O 121.649 0.737 . . . . 50.0 110.371 -178.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 13.9 m-30 -79.47 -23.01 43.34 Favored 'General case' 0 CA--C 1.51 -0.562 0 CA-C-N 115.806 -0.634 . . . . 50.0 111.451 -177.172 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -60.85 -36.84 80.17 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 123.708 0.63 . . . . 50.0 111.825 176.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 -71.42 -36.9 71.47 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.544 -0.723 . . . . 50.0 110.633 -177.07 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 77.0 t80 -69.53 -36.65 76.59 Favored 'General case' 0 C--N 1.329 -0.323 0 O-C-N 123.959 0.787 . . . . 50.0 110.486 173.222 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.54 -36.71 83.33 Favored 'General case' 0 C--O 1.239 0.552 0 C-N-CA 120.126 -0.63 . . . . 25.0 109.597 -179.646 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.38 -20.37 62.15 Favored 'General case' 0 C--O 1.211 -0.93 0 O-C-N 121.727 -0.608 . . . . 25.0 111.22 177.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 16.2 tt0 -79.08 -22.47 45.25 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 120.979 0.419 . . . . 50.0 111.854 178.225 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -97.15 -44.81 6.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.199 -0.909 . . . . 50.0 113.245 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 29.5 m-85 -125.27 71.39 64.06 Favored Pre-proline 0 C--O 1.249 1.048 0 O-C-N 124.41 1.069 . . . . 50.0 111.74 179.16 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_endo -71.43 139.39 34.54 Favored 'Trans proline' 0 C--O 1.194 -1.711 0 C-N-CA 115.195 -2.737 . . . . 50.0 111.402 179.716 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 81.39 0.2 88.72 Favored Glycine 0 N--CA 1.466 0.695 0 C-N-CA 119.927 -1.13 . . . . 25.0 115.614 -179.037 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 27.4 m120 -121.4 87.03 2.68 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 117.997 0.898 . . . . 50.0 111.694 -177.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 48.5 t80 -54.37 -45.2 72.75 Favored 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 112.896 0.702 . . . . 50.0 112.896 177.607 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -61.19 -47.8 84.46 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 118.102 0.41 . . . . 50.0 111.5 -179.599 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 91.4 mm-40 -66.87 -34.58 78.11 Favored 'General case' 0 CA--C 1.513 -0.455 0 CA-C-O 121.784 0.802 . . . . 50.0 111.122 -178.191 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -61.28 -36.08 79.06 Favored 'General case' 0 CA--C 1.505 -0.757 0 N-CA-C 108.943 -0.762 . . . . 50.0 108.943 176.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 93.0 mm-40 -75.54 -35.06 60.77 Favored 'General case' 0 C--O 1.249 1.03 0 C-N-CA 120.207 -0.597 . . . . 50.0 111.135 -176.677 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 86.5 mt -61.3 -47.13 94.88 Favored 'Isoleucine or valine' 0 C--O 1.239 0.551 0 N-CA-C 108.062 -1.088 . . . . 50.0 108.062 179.176 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 24.5 tp -65.15 -47.94 75.28 Favored 'General case' 0 C--O 1.221 -0.435 0 CA-C-N 115.714 -0.675 . . . . 50.0 111.318 -177.017 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 61.0 mt -58.43 -40.63 79.11 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 CA-C-O 120.887 0.375 . . . . 50.0 111.73 -179.266 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 65.3 mtp180 -59.23 -44.92 92.31 Favored 'General case' 0 N--CA 1.476 0.84 0 O-C-N 121.769 -0.582 . . . . 50.0 110.483 178.704 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 30.7 tp60 -62.47 -43.31 99.13 Favored 'General case' 0 N--CA 1.45 -0.47 0 O-C-N 123.229 0.331 . . . . 25.0 111.6 178.796 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 19.3 mt -63.25 -42.02 99.14 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.224 -0.658 . . . . 50.0 109.224 -176.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -66.24 -39.35 89.47 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 121.996 -0.44 . . . . 50.0 112.084 -176.622 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 85.6 mt-10 -68.73 -32.86 72.94 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-O 121.727 0.775 . . . . 25.0 110.217 177.713 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 33.8 tt0 -70.22 -40.67 74.37 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.195 -0.457 . . . . 25.0 110.667 -179.41 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 23.2 m-70 -70.0 -19.56 63.33 Favored 'General case' 0 N--CA 1.478 0.95 0 O-C-N 122.097 -0.377 . . . . 50.0 111.707 177.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 60.8 t80 -58.53 -36.39 73.79 Favored 'General case' 0 C--N 1.313 -1.001 0 C-N-CA 121.091 -0.244 . . . . 25.0 111.434 177.105 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -64.03 -38.91 92.81 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 111.972 0.36 . . . . 25.0 111.972 179.448 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 45.6 tt0 -65.39 -41.35 93.78 Favored 'General case' 0 CA--C 1.512 -0.51 0 CA-C-O 121.612 0.72 . . . . 50.0 109.114 -178.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 40.0 t80 -64.2 -43.22 95.72 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.811 0.815 . . . . 50.0 110.604 178.74 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.25 -40.62 97.95 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.144 -0.935 . . . . 50.0 111.603 -179.856 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 56.6 tt0 -62.07 -41.79 98.53 Favored 'General case' 0 C--N 1.322 -0.609 0 O-C-N 121.878 -0.514 . . . . 25.0 111.428 175.587 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 64.9 tp60 -63.96 -41.02 97.69 Favored 'General case' 0 N--CA 1.451 -0.385 0 N-CA-C 110.014 -0.365 . . . . 50.0 110.014 179.783 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 73.4 mt -63.79 -27.63 69.32 Favored 'General case' 0 C--O 1.211 -0.924 0 N-CA-C 112.625 0.602 . . . . 25.0 112.625 177.605 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -70.55 -37.72 74.07 Favored 'General case' 0 C--N 1.318 -0.782 0 C-N-CA 120.046 -0.662 . . . . 25.0 109.987 177.52 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 50.2 mt-30 -69.06 -37.8 78.71 Favored 'General case' 0 C--N 1.321 -0.667 0 O-C-N 121.466 -0.771 . . . . 25.0 110.297 176.028 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 94.9 t -68.2 -35.57 71.81 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.394 0 CA-C-N 116.439 -0.346 . . . . 50.0 111.041 178.765 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -58.82 -47.25 85.47 Favored 'General case' 0 C--N 1.328 -0.356 0 O-C-N 121.508 -0.745 . . . . 50.0 111.082 172.035 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 86.2 mt -61.74 -37.05 82.78 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 120.696 -0.402 . . . . 25.0 111.848 176.359 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.49 -36.58 78.66 Favored 'General case' 0 C--N 1.32 -0.705 0 O-C-N 121.98 -0.45 . . . . 25.0 111.076 177.112 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 56.6 mt-30 -68.87 -41.56 78.21 Favored 'General case' 0 N--CA 1.472 0.629 0 O-C-N 121.843 -0.535 . . . . 50.0 110.705 176.065 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 36.1 mm-40 -59.49 -43.8 93.22 Favored 'General case' 0 C--O 1.211 -0.958 0 N-CA-C 108.587 -0.894 . . . . 50.0 108.587 -179.534 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 4.8 mm-40 -69.05 -30.45 68.79 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-O 121.203 0.525 . . . . 50.0 112.383 -178.284 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -70.36 -22.63 62.75 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.128 -0.487 . . . . 25.0 110.341 179.298 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -85.14 -23.56 28.36 Favored 'General case' 0 N--CA 1.476 0.83 0 N-CA-C 112.624 0.601 . . . . 25.0 112.624 174.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 83.7 mt -88.3 -39.02 14.7 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 121.759 -0.588 . . . . 50.0 111.754 -178.309 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 52.05 36.44 18.79 Favored 'General case' 0 C--O 1.207 -1.134 0 N-CA-C 115.166 1.543 . . . . 25.0 115.166 178.005 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 59.7 tttm -142.91 118.55 10.43 Favored 'General case' 0 C--O 1.214 -0.774 0 N-CA-C 109.832 -0.432 . . . . 50.0 109.832 177.08 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 42.36 80.71 0.03 OUTLIER 'General case' 0 CA--C 1.548 0.878 0 N-CA-C 115.113 1.523 . . . . 50.0 115.113 179.731 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 . . . . . 0 C--O 1.203 -1.391 0 CA-C-O 124.349 2.023 . . . . 25.0 110.257 172.197 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.8 ttm . . . . . 0 N--CA 1.492 1.636 0 CA-C-O 123.971 1.843 . . . . 25.0 113.39 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -73.92 151.11 40.47 Favored 'General case' 0 N--CA 1.433 -1.287 0 O-C-N 120.291 -1.506 . . . . 25.0 113.067 179.348 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 7.0 mp0 -69.19 47.48 0.07 Allowed 'General case' 0 CA--C 1.554 1.124 0 N-CA-C 115.392 1.627 . . . . 25.0 115.392 -179.062 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -61.46 -36.0 79.21 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 112.874 0.694 . . . . 25.0 112.874 -178.378 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.41 -29.07 69.7 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 112.926 0.713 . . . . 25.0 112.926 -176.084 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 94.4 mm-40 -63.64 -41.34 98.25 Favored 'General case' 0 N--CA 1.456 -0.144 0 CA-C-O 122.06 0.934 . . . . 50.0 110.109 178.056 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 28.5 mt -69.78 -39.64 78.14 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.885 0 CA-C-N 114.564 -1.198 . . . . 50.0 109.015 -178.21 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 92.7 mtp -62.54 -42.2 99.38 Favored 'General case' 0 C--N 1.309 -1.168 0 N-CA-C 111.982 0.364 . . . . 50.0 111.982 176.736 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.22 -41.95 89.85 Favored 'General case' 0 C--O 1.223 -0.304 0 CA-C-O 121.245 0.545 . . . . 25.0 110.774 179.453 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.52 -46.9 83.93 Favored 'General case' 0 CA--C 1.548 0.896 0 CA-C-O 121.663 0.744 . . . . 25.0 110.17 -178.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 58.0 mt -67.85 -36.59 80.58 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.523 0.678 . . . . 50.0 110.464 -177.654 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 63.7 m-20 -63.15 -36.3 83.17 Favored 'General case' 0 CA--C 1.508 -0.653 0 CA-C-N 116.096 -0.502 . . . . 50.0 111.503 178.718 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 42.4 t -63.21 -40.77 98.43 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 123.074 0.234 . . . . 25.0 110.822 179.088 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 89.3 mm-40 -76.22 -24.07 54.62 Favored 'General case' 0 C--N 1.332 -0.163 0 N-CA-C 112.329 0.492 . . . . 50.0 112.329 -175.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 38.4 p -104.37 -8.29 19.31 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 113.294 0.85 . . . . 25.0 113.294 -173.193 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -49.92 -63.57 1.07 Allowed 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 113.458 0.91 . . . . 25.0 113.458 -174.668 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 8.3 p -68.72 -32.18 53.88 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 O-C-N 121.292 -0.88 . . . . 50.0 111.599 -175.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 66.2 tt0 -64.48 -45.15 88.57 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 121.096 0.474 . . . . 50.0 109.993 -179.698 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 16.2 m-30 -75.34 -28.45 59.6 Favored 'General case' 0 C--O 1.212 -0.897 0 CA-C-N 115.674 -0.694 . . . . 50.0 110.275 179.246 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 39.2 tt0 -62.26 -43.61 98.44 Favored 'General case' 0 C--N 1.323 -0.582 0 O-C-N 121.404 -0.81 . . . . 50.0 112.577 178.68 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -61.79 -42.17 98.66 Favored 'General case' 0 C--O 1.239 0.549 0 N-CA-C 109.303 -0.629 . . . . 50.0 109.303 178.283 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 83.8 t80 -66.67 -44.19 82.48 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 111.91 0.337 . . . . 50.0 111.91 176.802 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.66 -38.09 83.7 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-O 121.148 0.499 . . . . 25.0 111.72 -177.629 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.17 -28.39 69.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.811 -0.632 . . . . 25.0 109.414 179.532 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -79.37 -19.26 50.59 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.814 -0.175 . . . . 50.0 110.746 -178.647 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 94.2 mm-40 -96.95 -44.87 6.83 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 122.134 -0.354 . . . . 50.0 111.883 -179.251 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -121.54 73.62 31.5 Favored Pre-proline 0 C--O 1.25 1.092 0 N-CA-C 108.677 -0.86 . . . . 50.0 108.677 178.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -68.59 137.39 38.95 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 116.475 -1.883 . . . . 50.0 113.741 -174.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 83.37 -21.63 8.39 Favored Glycine 0 N--CA 1.446 -0.644 0 N-CA-C 115.322 0.889 . . . . 25.0 115.322 -177.759 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 22.9 m120 -94.74 85.42 4.45 Favored 'General case' 0 N--CA 1.471 0.623 0 O-C-N 121.436 -1.038 . . . . 50.0 111.371 -175.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 64.2 t80 -54.44 -43.76 71.9 Favored 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 112.801 0.667 . . . . 50.0 112.801 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 20.4 pt-20 -61.26 -46.45 90.3 Favored 'General case' 0 C--O 1.206 -1.237 0 O-C-N 122.078 -0.389 . . . . 50.0 112.029 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 87.3 mm-40 -67.84 -35.71 79.06 Favored 'General case' 0 CA--C 1.509 -0.612 0 CA-C-O 121.701 0.762 . . . . 50.0 111.949 179.413 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 56.1 mt-30 -59.68 -38.98 82.99 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.63 -0.714 . . . . 50.0 110.232 177.44 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 79.6 mm-40 -71.33 -39.16 71.55 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-O 121.798 0.809 . . . . 50.0 110.743 -178.245 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 73.5 mt -62.71 -42.54 96.54 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.587 0 N-CA-C 108.302 -0.999 . . . . 50.0 108.302 178.322 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 37.2 tp -64.24 -47.77 78.36 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.124 0.487 . . . . 50.0 111.339 -178.238 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 59.9 mt -57.28 -42.91 81.11 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.003 0 O-C-N 121.467 -0.771 . . . . 50.0 109.893 178.253 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 7.9 tmm_? -62.02 -41.95 98.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 118.856 -0.592 . . . . 50.0 109.957 178.546 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -64.7 -41.11 96.26 Favored 'General case' 0 C--N 1.311 -1.079 0 CA-C-N 118.395 0.543 . . . . 25.0 110.716 178.486 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 78.3 mt -65.26 -37.4 87.1 Favored 'General case' 0 C--N 1.349 0.577 0 CA-C-O 120.95 0.405 . . . . 50.0 111.834 179.521 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -68.4 -41.57 80.29 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.566 -0.288 . . . . 50.0 110.406 179.433 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -70.52 -32.5 70.0 Favored 'General case' 0 N--CA 1.482 1.143 0 O-C-N 120.607 -1.308 . . . . 25.0 111.267 177.304 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 54.6 tt0 -59.17 -48.7 80.63 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-O 122.26 1.029 . . . . 25.0 109.874 175.045 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 73.6 m80 -73.21 -27.14 61.45 Favored 'General case' 0 C--O 1.25 1.117 0 O-C-N 121.372 -0.83 . . . . 50.0 111.708 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 32.1 t80 -65.88 -36.45 83.45 Favored 'General case' 0 N--CA 1.45 -0.468 0 C-N-CA 119.776 -0.77 . . . . 25.0 110.023 176.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 55.5 mt-30 -64.63 -39.07 93.05 Favored 'General case' 0 N--CA 1.475 0.782 0 N-CA-C 110.104 -0.332 . . . . 25.0 110.104 176.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 47.8 tt0 -62.46 -46.71 87.25 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-O 121.213 0.53 . . . . 50.0 110.459 177.444 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 38.2 t80 -64.48 -38.23 90.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.023 -0.535 . . . . 50.0 110.933 -178.625 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.38 -38.97 81.86 Favored 'General case' 0 N--CA 1.44 -0.942 0 O-C-N 121.986 -0.446 . . . . 50.0 111.75 178.824 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 82.5 mm-40 -71.42 -34.92 70.75 Favored 'General case' 0 N--CA 1.473 0.718 0 O-C-N 121.639 -0.663 . . . . 25.0 110.932 176.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -60.23 -46.33 90.13 Favored 'General case' 0 C--N 1.32 -0.714 0 C-N-CA 120.603 -0.439 . . . . 50.0 110.092 174.105 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 46.6 mt -64.69 -30.21 71.22 Favored 'General case' 0 C--N 1.314 -0.96 0 O-C-N 123.186 0.304 . . . . 25.0 111.813 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -64.67 -37.98 89.43 Favored 'General case' 0 C--N 1.308 -1.223 0 N-CA-C 108.987 -0.746 . . . . 25.0 108.987 178.84 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -71.54 -34.53 70.1 Favored 'General case' 0 C--N 1.317 -0.817 0 O-C-N 121.751 -0.593 . . . . 25.0 110.776 176.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 88.0 t -67.09 -35.93 75.69 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.975 0 CA-C-O 122.151 0.977 . . . . 50.0 108.666 177.758 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -60.99 -46.11 92.08 Favored 'General case' 0 C--O 1.205 -1.256 0 O-C-N 120.953 -1.092 . . . . 50.0 110.403 175.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 89.2 mt -65.06 -34.77 79.21 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-O 120.751 0.31 . . . . 25.0 111.416 179.305 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.08 -43.47 98.76 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.97 -0.559 . . . . 25.0 109.565 178.276 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -72.75 -32.75 65.89 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 120.324 -0.55 . . . . 50.0 110.419 179.279 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 4.1 mm-40 -61.35 -44.04 97.85 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 120.221 -0.591 . . . . 50.0 110.832 178.534 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -74.63 -24.32 58.83 Favored 'General case' 0 N--CA 1.448 -0.571 0 C-N-CA 120.508 -0.477 . . . . 50.0 111.645 -179.112 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.1 -34.79 78.35 Favored 'General case' 0 N--CA 1.47 0.557 0 O-C-N 123.695 0.622 . . . . 25.0 110.328 174.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -82.47 -37.94 24.64 Favored 'General case' 0 CA--C 1.547 0.865 0 CA-C-O 121.762 0.791 . . . . 25.0 111.006 178.262 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 57.2 mt -73.35 -34.36 65.57 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 115.818 -0.628 . . . . 50.0 110.922 -175.252 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 41.34 39.91 1.11 Allowed 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.018 1.327 . . . . 25.0 114.327 -179.279 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 12.4 tppt? -153.29 88.25 1.29 Allowed 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 115.299 -0.864 . . . . 50.0 111.752 -178.39 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 82.0 mt-30 -88.45 56.54 3.84 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-O 121.581 0.705 . . . . 50.0 109.382 174.252 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 . . . . . 0 C--N 1.357 0.913 0 CA-C-O 124.263 1.982 . . . . 25.0 110.501 -176.487 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 75.4 mtm . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 125.15 2.405 . . . . 25.0 111.566 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -88.74 130.96 35.23 Favored 'General case' 0 C--O 1.213 -0.863 0 CA-C-N 113.256 -1.793 . . . . 25.0 111.172 -179.273 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 -131.4 73.82 1.56 Allowed 'General case' 0 CA--C 1.538 0.487 0 CA-C-O 122.373 1.082 . . . . 25.0 109.892 178.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 58.9 mttp -56.97 -33.91 67.56 Favored 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 114.525 1.306 . . . . 25.0 114.525 -176.297 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 9.6 mp0 -63.52 -27.68 69.43 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 112.943 0.72 . . . . 25.0 112.943 -178.698 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -65.53 -40.09 92.51 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-O 121.664 0.745 . . . . 50.0 109.993 176.608 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 55.3 mt -68.13 -39.89 82.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 108.748 -0.834 . . . . 50.0 108.748 -177.654 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 83.3 mtp -65.18 -37.39 87.22 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.808 -0.633 . . . . 50.0 110.571 177.197 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.34 -38.61 88.05 Favored 'General case' 0 N--CA 1.448 -0.564 0 C-N-CA 120.714 -0.394 . . . . 25.0 110.945 178.796 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.45 -44.63 93.95 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 109.921 -0.4 . . . . 25.0 109.921 178.684 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 68.8 mt -66.37 -33.76 76.43 Favored 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 112.202 0.445 . . . . 50.0 112.202 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -55.72 -41.71 74.24 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 122.482 0.313 . . . . 50.0 110.469 178.618 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 18.6 t -65.94 -34.57 78.42 Favored 'General case' 0 C--O 1.22 -0.462 0 CA-C-O 121.218 0.532 . . . . 25.0 111.009 -177.184 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 28.6 mm100 -75.6 -44.74 41.43 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 113.25 0.833 . . . . 50.0 113.25 -177.536 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 34.2 p -86.86 -1.07 57.51 Favored 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 114.545 1.313 . . . . 25.0 114.545 -173.808 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -43.64 -70.37 0.11 Allowed 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 115.331 1.604 . . . . 25.0 115.331 -171.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 5.6 p -74.92 -24.02 17.8 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 O-C-N 121.643 -0.661 . . . . 50.0 111.044 -177.387 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 60.1 tt0 -64.63 -50.07 68.55 Favored 'General case' 0 C--O 1.238 0.448 0 CA-C-O 121.182 0.515 . . . . 50.0 111.021 -178.273 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 13.5 m-30 -76.24 -22.09 55.58 Favored 'General case' 0 N--CA 1.465 0.288 0 C-N-CA 120.595 -0.442 . . . . 50.0 109.956 -178.509 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 26.4 tt0 -62.34 -38.4 89.33 Favored 'General case' 0 C--O 1.222 -0.383 0 O-C-N 122.047 -0.408 . . . . 50.0 111.512 177.22 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 69.3 mt-30 -65.15 -39.18 92.62 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-O 120.974 0.416 . . . . 50.0 110.283 177.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 45.3 t80 -65.18 -43.78 90.6 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.9 -0.778 . . . . 50.0 108.9 177.213 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.44 -37.98 89.41 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 120.466 -0.494 . . . . 25.0 110.032 -176.485 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.49 -26.15 67.04 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 116.625 -0.261 . . . . 25.0 111.563 178.775 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -74.2 -17.0 60.95 Favored 'General case' 0 C--O 1.218 -0.605 0 O-C-N 121.677 -0.64 . . . . 50.0 111.043 177.158 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 88.5 mm-40 -107.02 -47.23 3.74 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.783 0.66 . . . . 50.0 112.783 -175.58 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -121.05 68.67 17.43 Favored Pre-proline 0 C--O 1.243 0.728 0 CA-C-N 116.375 -0.375 . . . . 50.0 110.992 177.577 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -64.84 140.72 68.3 Favored 'Trans proline' 0 CA--C 1.533 0.468 0 C-N-CA 116.377 -1.949 . . . . 50.0 112.516 -177.301 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 82.28 -21.56 7.02 Favored Glycine 0 CA--C 1.507 -0.416 0 N-CA-C 115.55 0.98 . . . . 25.0 115.55 179.584 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 22.7 m120 -96.76 83.07 3.37 Favored 'General case' 0 C--O 1.219 -0.537 0 CA-C-N 117.667 0.733 . . . . 50.0 110.457 -177.625 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 39.7 t80 -53.02 -45.57 68.0 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 112.494 0.553 . . . . 50.0 112.494 -178.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -62.93 -45.43 92.51 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 120.241 -0.584 . . . . 50.0 110.592 -177.353 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 95.3 mm-40 -68.65 -34.6 75.99 Favored 'General case' 0 CA--C 1.504 -0.808 0 O-C-N 121.105 -0.997 . . . . 50.0 110.42 -177.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -58.0 -38.37 76.02 Favored 'General case' 0 N--CA 1.442 -0.841 0 CA-C-O 120.765 0.317 . . . . 50.0 110.163 173.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 94.8 mm-40 -72.83 -37.92 67.29 Favored 'General case' 0 N--CA 1.48 1.055 0 O-C-N 121.925 -0.484 . . . . 50.0 109.911 -177.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 80.1 mt -62.05 -42.76 96.19 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.198 0 N-CA-C 109.938 -0.393 . . . . 50.0 109.938 177.585 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 30.4 tp -64.44 -45.76 86.09 Favored 'General case' 0 C--O 1.216 -0.704 0 CA-C-N 116.839 -0.164 . . . . 50.0 110.749 176.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 63.1 mt -58.67 -38.6 72.56 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 N-CA-C 109.589 -0.523 . . . . 50.0 109.589 178.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.6 tmt_? -58.89 -44.41 91.15 Favored 'General case' 0 C--O 1.24 0.576 0 N-CA-C 109.178 -0.675 . . . . 50.0 109.178 177.766 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 59.5 tt0 -66.69 -40.67 88.62 Favored 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 111.898 0.332 . . . . 25.0 111.898 177.573 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 96.3 mt -62.78 -40.98 99.0 Favored 'General case' 0 C--O 1.212 -0.905 0 N-CA-C 109.812 -0.44 . . . . 50.0 109.812 -179.305 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -70.92 -33.28 70.37 Favored 'General case' 0 C--O 1.216 -0.701 0 CA-C-N 116.548 -0.296 . . . . 50.0 111.312 178.753 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -65.98 -42.28 90.07 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.527 0.679 . . . . 25.0 109.72 175.154 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 55.4 tt0 -67.29 -43.23 82.27 Favored 'General case' 0 C--N 1.316 -0.862 0 O-C-N 121.709 -0.619 . . . . 25.0 110.894 178.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 12.9 t-160 -62.65 -41.08 98.84 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 108.968 -0.752 . . . . 50.0 108.968 177.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 44.9 t80 -61.87 -33.08 73.55 Favored 'General case' 0 C--O 1.215 -0.726 0 O-C-N 121.944 -0.472 . . . . 25.0 111.656 179.133 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.92 -42.49 97.38 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.092 0.472 . . . . 25.0 109.969 177.09 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -64.76 -41.18 96.09 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-O 121.246 0.546 . . . . 50.0 109.61 176.231 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 21.1 t80 -62.16 -34.32 76.19 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.322 -0.399 . . . . 50.0 111.255 178.574 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.46 -37.82 83.51 Favored 'General case' 0 N--CA 1.45 -0.439 0 O-C-N 122.177 -0.327 . . . . 50.0 111.09 176.581 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -67.68 -39.97 84.43 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.714 -0.476 . . . . 25.0 109.714 177.068 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -63.5 -43.95 95.74 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.72 -0.392 . . . . 50.0 111.03 178.239 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 48.2 mt -62.73 -28.47 69.99 Favored 'General case' 0 C--O 1.216 -0.708 0 N-CA-C 112.357 0.502 . . . . 25.0 112.357 -179.464 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -68.46 -38.11 80.79 Favored 'General case' 0 CA--C 1.548 0.874 0 O-C-N 121.279 -0.888 . . . . 25.0 110.887 175.693 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -71.22 -32.96 69.43 Favored 'General case' 0 C--O 1.212 -0.869 0 N-CA-C 109.673 -0.491 . . . . 25.0 109.673 178.35 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 82.5 t -69.0 -40.99 81.57 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.549 0 CA-C-O 121.483 0.658 . . . . 50.0 109.375 175.198 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -59.22 -51.01 71.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 121.762 -0.586 . . . . 50.0 111.078 179.065 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.8 pp -68.13 -29.23 68.09 Favored 'General case' 0 N--CA 1.444 -0.747 0 N-CA-C 111.807 0.299 . . . . 25.0 111.807 -177.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.13 -40.89 95.5 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 120.414 -0.515 . . . . 25.0 109.759 175.11 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 86.5 mt-30 -70.69 -32.1 69.22 Favored 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 120.807 -0.357 . . . . 50.0 111.065 -179.362 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 90.4 mm-40 -63.58 -49.49 73.17 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 119.97 -0.692 . . . . 50.0 109.916 175.234 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -68.16 -25.86 65.47 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.305 0.483 . . . . 50.0 112.305 -175.768 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.23 -32.85 74.35 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.634 0.254 . . . . 25.0 111.197 176.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -87.5 -32.91 19.18 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.543 0.687 . . . . 25.0 111.905 177.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 73.6 mt -74.38 -33.69 63.13 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 122.006 -0.434 . . . . 50.0 111.982 -177.736 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 85.1 mm-40 51.39 37.48 19.18 Favored 'General case' 0 N--CA 1.475 0.805 0 O-C-N 124.182 0.926 . . . . 25.0 113.195 178.366 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 10.9 ttpt -124.1 28.13 6.88 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 112.842 0.682 . . . . 50.0 112.842 -177.662 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 98.1 mm-40 -121.45 63.62 0.9 Allowed 'General case' 0 CA--C 1.542 0.658 0 CA-C-O 122.138 0.97 . . . . 50.0 108.894 178.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 . . . . . 0 C--O 1.208 -1.09 0 CA-C-O 124.646 2.165 . . . . 25.0 112.922 -175.774 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.3 ttm . . . . . 0 N--CA 1.495 1.781 0 CA-C-O 123.438 1.59 . . . . 25.0 111.406 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 32.5 tt0 -74.9 -13.75 60.58 Favored 'General case' 0 C--O 1.219 -0.543 0 CA-C-N 114.605 -1.179 . . . . 25.0 111.254 178.38 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -116.09 101.86 9.11 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.277 -0.419 . . . . 25.0 110.254 -178.324 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 23.0 ptmt -63.67 -30.11 71.25 Favored 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 115.492 1.664 . . . . 25.0 115.492 -176.607 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 85.0 mt-30 -71.37 -26.92 63.0 Favored 'General case' 0 N--CA 1.486 1.33 0 O-C-N 121.199 -0.938 . . . . 25.0 112.901 -177.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -65.56 -37.21 86.02 Favored 'General case' 0 C--O 1.221 -0.419 0 CA-C-O 121.948 0.88 . . . . 50.0 108.91 176.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 54.6 mt -68.4 -42.91 84.36 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.004 0 CA-C-N 115.175 -0.921 . . . . 50.0 110.379 -179.786 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 75.7 mtp -60.17 -42.51 95.11 Favored 'General case' 0 C--O 1.215 -0.724 0 C-N-CA 120.558 -0.457 . . . . 50.0 111.164 176.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.07 -39.2 74.48 Favored 'General case' 0 CA--C 1.54 0.593 0 O-C-N 121.442 -0.786 . . . . 25.0 112.03 -178.507 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.08 -45.12 86.58 Favored 'General case' 0 C--N 1.312 -1.063 0 CA-C-O 121.94 0.876 . . . . 25.0 110.562 179.219 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 87.4 mt -65.99 -32.69 74.32 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.041 -0.527 . . . . 50.0 110.532 -178.601 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 78.3 m-20 -64.58 -36.17 83.38 Favored 'General case' 0 N--CA 1.435 -1.189 0 CA-C-O 120.884 0.373 . . . . 50.0 110.085 -178.6 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 19.6 m -65.18 -42.49 93.6 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.559 0.695 . . . . 25.0 111.542 177.398 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 27.8 mm100 -72.14 -37.9 69.32 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 114.033 1.123 . . . . 50.0 114.033 -177.136 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 41.6 p -90.91 2.14 56.44 Favored 'General case' 0 C--N 1.313 -1.011 0 N-CA-C 113.406 0.891 . . . . 25.0 113.406 -177.523 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -50.68 -69.38 0.11 Allowed 'General case' 0 CA--C 1.546 0.799 0 N-CA-C 113.439 0.904 . . . . 25.0 113.439 -173.249 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.9 p -72.74 -26.66 23.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 O-C-N 121.134 -0.979 . . . . 50.0 110.2 -177.008 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 44.2 tt0 -59.5 -45.56 91.34 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.264 0.555 . . . . 50.0 110.406 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 12.7 m-30 -84.01 -22.43 31.35 Favored 'General case' 0 C--O 1.246 0.869 0 CA-C-O 121.356 0.598 . . . . 50.0 111.679 -178.153 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 59.4 tt0 -61.99 -36.58 81.93 Favored 'General case' 0 C--O 1.217 -0.643 0 CA-C-N 116.078 -0.51 . . . . 50.0 110.57 -179.59 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 98.1 mm-40 -60.99 -43.04 99.42 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 120.741 -0.383 . . . . 50.0 110.658 179.089 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 67.9 t80 -69.53 -44.57 70.7 Favored 'General case' 0 C--O 1.242 0.69 0 CA-C-O 121.162 0.506 . . . . 50.0 111.129 177.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.52 -34.96 73.29 Favored 'General case' 0 C--O 1.226 -0.166 0 O-C-N 121.511 -0.743 . . . . 25.0 111.375 -179.501 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.47 -24.26 64.68 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.141 0.422 . . . . 25.0 112.141 -178.187 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -79.19 -27.73 42.61 Favored 'General case' 0 C--O 1.242 0.659 0 O-C-N 122.26 -0.275 . . . . 50.0 110.266 178.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 84.6 mm-40 -89.58 -46.74 8.44 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 122.834 0.454 . . . . 50.0 111.326 -174.594 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -120.23 69.95 15.26 Favored Pre-proline 0 CA--C 1.528 0.118 0 CA-C-O 120.894 0.378 . . . . 50.0 110.676 177.661 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_endo -69.88 140.32 41.95 Favored 'Trans proline' 0 C--N 1.35 0.614 0 C-N-CA 116.596 -1.803 . . . . 50.0 113.744 -179.136 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 83.32 -11.33 55.87 Favored Glycine 0 C--N 1.346 1.132 0 N-CA-C 116.422 1.329 . . . . 25.0 116.422 -178.159 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -114.47 87.03 2.55 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 118.587 1.194 . . . . 50.0 109.584 -174.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 72.8 t80 -52.75 -48.05 67.01 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 113.018 0.747 . . . . 50.0 113.018 179.596 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -58.84 -45.57 89.73 Favored 'General case' 0 C--O 1.216 -0.695 0 N-CA-C 112.9 0.704 . . . . 50.0 112.9 -179.007 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 96.7 mm-40 -68.66 -35.66 77.54 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.037 0.446 . . . . 50.0 110.758 -178.23 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -59.3 -36.8 76.27 Favored 'General case' 0 C--O 1.205 -1.279 0 C-N-CA 120.193 -0.603 . . . . 50.0 110.262 173.706 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 85.0 mm-40 -70.58 -41.43 72.37 Favored 'General case' 0 N--CA 1.47 0.572 0 O-C-N 121.529 -0.732 . . . . 50.0 110.518 -177.707 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 68.7 mt -62.39 -41.92 93.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 N-CA-C 108.849 -0.797 . . . . 50.0 108.849 178.65 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 25.7 tp -65.19 -48.08 74.68 Favored 'General case' 0 N--CA 1.452 -0.354 0 O-C-N 122.08 -0.387 . . . . 50.0 110.146 -178.58 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 66.1 mt -57.71 -37.61 60.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 O-C-N 122.038 -0.414 . . . . 50.0 110.951 178.101 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.14 -42.34 90.44 Favored 'General case' 0 C--O 1.21 -1.01 0 CA-C-O 121.208 0.528 . . . . 50.0 111.989 179.029 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -71.21 -36.44 71.89 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 120.457 -0.497 . . . . 25.0 111.214 178.554 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 66.9 mt -63.0 -39.43 94.73 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 120.87 -0.332 . . . . 50.0 110.402 176.159 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 -68.26 -35.07 77.33 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 123.322 0.649 . . . . 50.0 111.297 178.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -59.18 -44.3 92.19 Favored 'General case' 0 N--CA 1.464 0.267 0 C-N-CA 120.3 -0.56 . . . . 25.0 110.246 175.74 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -71.23 -37.36 72.03 Favored 'General case' 0 C--O 1.217 -0.653 0 CA-C-N 116.223 -0.444 . . . . 25.0 111.815 177.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 55.2 t60 -63.17 -29.68 70.98 Favored 'General case' 0 C--N 1.314 -0.973 0 N-CA-C 111.691 0.256 . . . . 50.0 111.691 176.683 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 85.8 t80 -61.67 -31.8 71.94 Favored 'General case' 0 C--N 1.318 -0.767 0 O-C-N 122.067 -0.396 . . . . 25.0 110.59 177.167 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 -67.14 -41.52 85.96 Favored 'General case' 0 C--O 1.211 -0.925 0 C-N-CA 120.981 -0.287 . . . . 25.0 110.89 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 18.5 tt0 -62.16 -38.99 91.14 Favored 'General case' 0 CA--C 1.518 -0.262 0 O-C-N 121.703 -0.623 . . . . 50.0 110.74 179.078 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 28.2 t80 -63.77 -43.72 95.55 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.929 -0.578 . . . . 50.0 110.953 179.364 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 36.2 mmt -65.89 -40.43 91.57 Favored 'General case' 0 CA--C 1.514 -0.441 0 O-C-N 121.572 -0.705 . . . . 50.0 111.625 178.739 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -63.11 -40.96 99.15 Favored 'General case' 0 C--N 1.316 -0.88 0 C-N-CA 120.459 -0.497 . . . . 25.0 109.76 178.394 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 5.4 tp-100 -68.38 -40.51 81.37 Favored 'General case' 0 N--CA 1.441 -0.876 0 O-C-N 121.589 -0.694 . . . . 50.0 111.268 179.016 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 14.7 mt -64.52 -29.59 70.62 Favored 'General case' 0 C--O 1.204 -1.322 0 C-N-CA 119.411 -0.916 . . . . 25.0 112.385 179.562 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -64.26 -41.24 97.03 Favored 'General case' 0 C--N 1.319 -0.745 0 O-C-N 121.369 -0.832 . . . . 25.0 110.059 174.476 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 -68.51 -33.37 74.02 Favored 'General case' 0 CA--C 1.533 0.3 0 N-CA-C 108.933 -0.766 . . . . 25.0 108.933 178.53 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 71.8 t -68.9 -39.54 80.03 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 CA-C-O 121.147 0.498 . . . . 50.0 110.718 178.1 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 6.2 mm-40 -61.23 -47.5 85.79 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 108.518 -0.919 . . . . 50.0 108.518 176.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 54.4 mt -61.62 -40.84 96.29 Favored 'General case' 0 C--N 1.314 -0.936 0 N-CA-C 112.658 0.614 . . . . 25.0 112.658 178.048 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.27 -44.09 95.64 Favored 'General case' 0 N--CA 1.446 -0.636 0 C-N-CA 120.777 -0.369 . . . . 25.0 110.497 179.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 83.1 mt-30 -69.46 -41.15 76.6 Favored 'General case' 0 C--O 1.22 -0.46 0 C-N-CA 120.034 -0.666 . . . . 50.0 110.229 -176.34 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -70.65 -39.77 73.42 Favored 'General case' 0 C--N 1.306 -1.284 0 CA-C-O 121.948 0.88 . . . . 50.0 112.489 -176.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 4.6 pp0? -72.71 -22.78 60.83 Favored 'General case' 0 CA--C 1.506 -0.743 0 O-C-N 120.559 -1.338 . . . . 50.0 110.565 -177.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.27 -25.69 59.77 Favored 'General case' 0 C--O 1.235 0.328 0 N-CA-C 108.487 -0.931 . . . . 25.0 108.487 179.454 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -90.68 -36.37 14.39 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 122.041 0.924 . . . . 25.0 110.764 179.626 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 66.3 mt -75.97 -39.79 55.25 Favored 'General case' 0 N--CA 1.488 1.438 0 CA-C-N 115.841 -0.618 . . . . 50.0 110.478 -177.045 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 65.4 mt-30 52.57 36.26 20.12 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 114.867 1.432 . . . . 25.0 114.867 176.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 57.6 mttm -121.52 27.35 8.3 Favored 'General case' 0 C--O 1.202 -1.425 0 N-CA-C 115.388 1.625 . . . . 50.0 115.388 -175.425 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 47.8 79.7 0.06 Allowed 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 123.837 0.855 . . . . 50.0 113.269 178.556 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 24.3 pt20 . . . . . 0 CA--C 1.556 1.19 0 CA-C-O 123.175 1.464 . . . . 25.0 113.274 177.452 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.209 -1.078 0 N-CA-C 113.358 0.873 . . . . 25.0 113.358 . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.422 ' C ' ' H ' ' A' ' 4' ' ' LYS . 2.8 tp-100 51.04 46.55 26.27 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-O 121.946 0.879 . . . . 25.0 110.157 -178.427 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 13.6 mp0 -66.91 6.64 0.48 Allowed 'General case' 0 C--O 1.213 -0.83 0 N-CA-C 113.444 0.905 . . . . 25.0 113.444 178.314 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.422 ' H ' ' C ' ' A' ' 2' ' ' GLN . 55.4 mtpt -52.44 -36.2 53.95 Favored 'General case' 0 C--N 1.346 0.426 0 CA-C-O 121.632 0.729 . . . . 25.0 110.569 171.936 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 18.3 pt20 -66.77 -23.62 66.1 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 113.012 0.745 . . . . 25.0 113.012 -179.049 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -71.67 -36.66 70.72 Favored 'General case' 0 C--O 1.218 -0.565 0 O-C-N 120.761 -1.212 . . . . 50.0 110.141 175.482 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 47.9 mt -67.57 -39.6 82.67 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.36 0 N-CA-C 108.44 -0.948 . . . . 50.0 108.44 178.355 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 77.5 mtp -63.46 -42.24 98.61 Favored 'General case' 0 C--O 1.206 -1.217 0 CA-C-N 115.917 -0.583 . . . . 50.0 112.31 177.214 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.36 -40.93 92.54 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-O 121.916 0.865 . . . . 25.0 110.637 -179.678 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.26 -47.09 71.75 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.248 -0.887 . . . . 25.0 110.393 -179.306 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 79.0 mt -64.06 -39.87 95.01 Favored 'General case' 0 C--O 1.242 0.66 0 O-C-N 121.101 -0.999 . . . . 50.0 111.51 -179.917 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 50.0 m-20 -64.13 -30.05 71.14 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.197 -0.456 . . . . 50.0 110.92 179.708 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 49.3 m -62.74 -36.2 82.27 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-O 120.7 0.286 . . . . 25.0 110.984 179.016 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -75.6 -27.07 58.35 Favored 'General case' 0 C--O 1.241 0.658 0 N-CA-C 113.458 0.91 . . . . 50.0 113.458 179.824 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 59.7 p -105.95 -5.22 19.79 Favored 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 114.809 1.411 . . . . 25.0 114.809 -170.462 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -48.97 -69.75 0.11 Allowed 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 114.091 1.145 . . . . 25.0 114.091 -175.065 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.5 p -68.89 -26.98 33.88 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-O 121.72 0.771 . . . . 50.0 110.258 -177.723 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 50.0 tt0 -64.5 -50.27 68.06 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.266 0.555 . . . . 50.0 111.647 -177.91 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 18.7 m-30 -75.27 -21.72 58.33 Favored 'General case' 0 C--N 1.315 -0.919 0 C-N-CA 119.185 -1.006 . . . . 50.0 110.882 -178.719 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 45.5 tt0 -60.92 -36.31 78.97 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 122.597 0.359 . . . . 50.0 111.202 179.593 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -70.58 -38.77 74.11 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 120.948 -0.301 . . . . 50.0 111.232 179.431 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 56.1 t80 -69.57 -36.75 76.58 Favored 'General case' 0 C--O 1.22 -0.466 0 N-CA-C 109.918 -0.401 . . . . 50.0 109.918 176.02 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.95 -42.45 97.3 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.884 -0.413 . . . . 25.0 109.884 178.753 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.51 -29.43 70.47 Favored 'General case' 0 C--O 1.205 -1.25 0 C-N-CA 120.208 -0.597 . . . . 25.0 111.278 179.231 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 37.4 tt0 -69.71 -30.79 68.5 Favored 'General case' 0 C--O 1.21 -1.026 0 CA-C-O 121.102 0.477 . . . . 50.0 109.986 178.025 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 5.5 mm-40 -89.64 -46.84 8.35 Favored 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 113.795 1.035 . . . . 50.0 113.795 -175.515 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -123.09 70.72 42.04 Favored Pre-proline 0 C--O 1.238 0.497 0 O-C-N 123.634 0.584 . . . . 50.0 110.321 179.527 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_endo -67.07 135.15 36.47 Favored 'Trans proline' 0 CA--C 1.539 0.735 0 C-N-CA 117.969 -0.888 . . . . 50.0 112.469 -172.95 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 81.99 -14.62 31.42 Favored Glycine 0 CA--C 1.536 1.361 0 CA-C-N 115.91 -0.586 . . . . 25.0 114.415 179.646 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -100.48 85.75 3.02 Favored 'General case' 0 C--O 1.217 -0.628 0 CA-C-N 117.828 0.814 . . . . 50.0 110.892 -176.662 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 60.1 t80 -52.23 -48.14 65.3 Favored 'General case' 0 CA--C 1.507 -0.706 0 N-CA-C 112.737 0.643 . . . . 50.0 112.737 -179.16 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -61.95 -46.08 90.88 Favored 'General case' 0 N--CA 1.478 0.933 0 N-CA-C 111.823 0.305 . . . . 50.0 111.823 -179.004 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 26.8 mm100 -65.59 -35.7 81.59 Favored 'General case' 0 C--N 1.318 -0.768 0 O-C-N 121.418 -0.801 . . . . 50.0 110.29 -179.638 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 70.8 mt-30 -61.79 -37.02 82.81 Favored 'General case' 0 N--CA 1.439 -1.018 0 C-N-CA 120.061 -0.656 . . . . 50.0 110.892 176.65 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 98.2 mm-40 -72.32 -36.66 68.92 Favored 'General case' 0 C--O 1.243 0.759 0 CA-C-O 120.977 0.418 . . . . 50.0 110.854 -178.384 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 56.4 mt -62.98 -42.43 96.61 Favored 'Isoleucine or valine' 0 C--O 1.258 1.528 0 O-C-N 122.0 -0.437 . . . . 50.0 110.986 175.688 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 42.5 tp -64.19 -47.65 78.97 Favored 'General case' 0 C--O 1.212 -0.896 0 C-N-CA 119.812 -0.755 . . . . 50.0 110.638 -179.687 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 63.9 mt -56.97 -42.4 78.85 Favored 'Isoleucine or valine' 0 C--O 1.249 1.044 0 O-C-N 121.925 -0.484 . . . . 50.0 110.716 179.037 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.82 -37.64 79.74 Favored 'General case' 0 C--O 1.24 0.589 0 O-C-N 122.036 -0.415 . . . . 50.0 112.086 179.025 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 12.4 tm0? -71.62 -43.89 65.38 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 117.751 0.251 . . . . 25.0 110.343 177.897 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 84.9 mt -59.58 -43.7 93.55 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-O 121.828 0.823 . . . . 50.0 110.899 -177.178 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -63.8 -35.36 80.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.94 -0.573 . . . . 50.0 110.197 -176.918 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -70.93 -36.38 72.61 Favored 'General case' 0 C--N 1.321 -0.668 0 O-C-N 122.025 -0.422 . . . . 25.0 111.919 179.196 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 45.4 tt0 -69.26 -41.31 77.06 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-O 121.27 0.557 . . . . 25.0 110.999 176.223 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 68.8 m-70 -66.79 -28.12 68.13 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 122.29 1.043 . . . . 50.0 111.16 178.688 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 69.2 t80 -61.88 -33.58 74.46 Favored 'General case' 0 CA--C 1.544 0.744 0 O-C-N 121.651 -0.656 . . . . 25.0 111.046 176.71 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 73.0 mt-30 -63.86 -39.84 95.16 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.58 0.705 . . . . 25.0 111.235 -179.969 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 46.0 tt0 -62.38 -41.65 98.81 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 121.773 -0.579 . . . . 50.0 109.636 -179.261 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 35.7 t80 -64.84 -42.73 94.7 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 116.085 -0.507 . . . . 50.0 111.12 179.507 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.54 -40.3 85.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.529 0.681 . . . . 50.0 111.725 178.846 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -58.95 -42.24 89.36 Favored 'General case' 0 C--O 1.235 0.32 0 O-C-N 122.03 -0.419 . . . . 25.0 111.662 178.129 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 7.2 tp-100 -63.34 -46.09 88.23 Favored 'General case' 0 C--O 1.216 -0.679 0 CA-C-O 121.531 0.682 . . . . 50.0 110.749 177.922 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 59.1 mt -63.94 -28.43 69.82 Favored 'General case' 0 CA--C 1.512 -0.49 0 N-CA-C 112.961 0.726 . . . . 25.0 112.961 -178.337 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -65.45 -38.86 91.1 Favored 'General case' 0 C--N 1.318 -0.778 0 C-N-CA 122.752 0.421 . . . . 25.0 110.118 176.809 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -69.09 -36.65 77.81 Favored 'General case' 0 C--O 1.218 -0.578 0 C-N-CA 120.677 -0.409 . . . . 25.0 110.488 177.519 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 84.5 t -67.53 -37.5 78.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 N-CA-C 109.256 -0.646 . . . . 50.0 109.256 178.41 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -63.43 -45.43 90.96 Favored 'General case' 0 C--N 1.314 -0.965 0 O-C-N 121.405 -0.81 . . . . 50.0 110.11 176.035 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 15.1 mt -63.72 -35.92 82.16 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.636 -0.257 . . . . 25.0 111.125 179.5 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -57.23 -46.82 82.61 Favored 'General case' 0 C--O 1.216 -0.701 0 N-CA-C 109.021 -0.733 . . . . 25.0 109.021 178.469 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 59.8 mt-30 -64.72 -37.83 88.94 Favored 'General case' 0 N--CA 1.434 -1.233 0 C-N-CA 120.392 -0.523 . . . . 50.0 110.639 -179.923 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 18.6 mt-30 -64.46 -42.51 95.89 Favored 'General case' 0 C--O 1.214 -0.794 0 C-N-CA 120.265 -0.574 . . . . 50.0 110.89 177.578 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 50.2 mt-30 -71.55 -29.4 64.7 Favored 'General case' 0 C--N 1.307 -1.269 0 CA-C-O 120.355 0.121 . . . . 50.0 110.912 -175.837 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -62.98 -30.05 71.29 Favored 'General case' 0 C--N 1.31 -1.132 0 CA-C-N 116.003 -0.544 . . . . 25.0 110.462 175.405 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -92.56 -34.76 13.91 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.225 0.454 . . . . 25.0 112.225 178.729 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 35.3 mt -69.88 -41.47 74.73 Favored 'General case' 0 CA--C 1.498 -1.019 0 O-C-N 122.137 -0.352 . . . . 50.0 111.424 -176.889 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 83.2 mt-30 53.93 24.05 4.34 Favored 'General case' 0 CA--C 1.554 1.129 0 N-CA-C 114.312 1.227 . . . . 25.0 114.312 176.286 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 26.4 ttpt 54.88 35.93 25.48 Favored 'General case' 0 C--O 1.251 1.171 0 N-CA-C 114.001 1.111 . . . . 50.0 114.001 -179.117 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -80.56 78.58 7.29 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 123.284 1.516 . . . . 50.0 108.0 175.209 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 26.3 mm100 . . . . . 0 C--O 1.209 -1.076 0 CA-C-O 124.646 2.165 . . . . 25.0 112.457 -173.447 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 74.7 mtm . . . . . 0 N--CA 1.504 2.264 0 CA-C-O 123.492 1.615 . . . . 25.0 111.201 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 3.4 pm0 -75.26 46.54 0.33 Allowed 'General case' 0 C--O 1.253 1.244 0 CA-C-N 113.707 -1.588 . . . . 25.0 113.052 176.874 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 48.3 tt0 -73.91 58.56 0.66 Allowed 'General case' 0 CA--C 1.544 0.733 0 CA-C-O 122.351 1.072 . . . . 25.0 111.214 -178.727 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 55.5 pttt -132.73 -28.83 1.56 Allowed 'General case' 0 C--O 1.221 -0.418 0 CA-C-N 115.427 -0.806 . . . . 25.0 110.06 -177.859 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -72.62 -23.94 61.0 Favored 'General case' 0 C--O 1.211 -0.921 0 N-CA-C 113.868 1.062 . . . . 25.0 113.868 -177.188 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 13.7 mm-40 -59.7 -43.07 94.25 Favored 'General case' 0 C--O 1.211 -0.969 0 CA-C-O 121.992 0.901 . . . . 50.0 109.246 174.204 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 81.1 mt -69.23 -38.88 78.46 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.024 0 N-CA-C 108.522 -0.918 . . . . 50.0 108.522 -177.304 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 78.8 mtp -61.99 -42.16 98.84 Favored 'General case' 0 C--O 1.207 -1.175 0 N-CA-C 109.434 -0.58 . . . . 50.0 109.434 179.454 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.49 -39.71 94.35 Favored 'General case' 0 CA--C 1.55 0.961 0 CA-C-N 118.175 0.443 . . . . 25.0 110.204 179.803 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.47 -46.3 86.8 Favored 'General case' 0 N--CA 1.477 0.909 0 CA-C-O 121.375 0.607 . . . . 25.0 110.956 178.72 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 89.6 mt -65.03 -35.99 82.93 Favored 'General case' 0 CA--C 1.498 -1.03 0 CA-C-N 116.062 -0.517 . . . . 50.0 112.02 177.99 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 82.1 m-20 -64.92 -39.87 94.19 Favored 'General case' 0 C--O 1.212 -0.906 0 C-N-CA 120.638 -0.425 . . . . 50.0 110.254 -178.359 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 32.1 t -71.71 -42.76 66.98 Favored 'General case' 0 C--O 1.241 0.645 0 C-N-CA 120.8 -0.36 . . . . 25.0 111.392 177.763 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -61.06 -41.36 96.48 Favored 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 113.472 0.916 . . . . 50.0 113.472 -179.333 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 71.6 p -99.36 -4.91 30.56 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 115.077 1.51 . . . . 25.0 115.077 -171.551 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -45.33 -65.18 0.57 Allowed 'General case' 0 CA--C 1.532 0.259 0 N-CA-C 114.093 1.146 . . . . 25.0 114.093 -173.032 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 8.4 p -72.16 -28.25 28.93 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 C-N-CA 120.742 -0.383 . . . . 50.0 110.952 -172.976 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 6.2 mp0 -63.42 -45.5 90.66 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-O 121.18 0.514 . . . . 50.0 111.722 177.997 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 19.6 m-30 -79.61 -23.59 42.56 Favored 'General case' 0 N--CA 1.445 -0.689 0 O-C-N 121.575 -0.703 . . . . 50.0 111.445 -177.832 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 37.2 tt0 -60.5 -38.97 86.07 Favored 'General case' 0 C--O 1.213 -0.855 0 N-CA-C 112.344 0.498 . . . . 50.0 112.344 178.161 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -62.77 -42.91 99.91 Favored 'General case' 0 C--N 1.32 -0.691 0 C-N-CA 120.289 -0.564 . . . . 50.0 110.536 -179.366 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 33.9 t80 -67.98 -42.56 80.63 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 115.566 -0.743 . . . . 50.0 110.999 176.925 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.25 -35.39 77.14 Favored 'General case' 0 C--O 1.215 -0.714 0 CA-C-O 121.478 0.656 . . . . 25.0 110.137 -178.547 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.62 -25.01 66.39 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.661 0.743 . . . . 25.0 112.422 179.444 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -79.24 -26.48 42.47 Favored 'General case' 0 C--O 1.212 -0.892 0 O-C-N 121.723 -0.61 . . . . 50.0 110.597 177.281 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 30.5 mm-40 -86.31 -46.32 10.42 Favored 'General case' 0 N--CA 1.469 0.525 0 N-CA-C 113.527 0.936 . . . . 50.0 113.527 178.47 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 29.6 m-85 -124.06 73.12 56.31 Favored Pre-proline 0 C--O 1.245 0.817 0 CA-C-N 116.022 -0.535 . . . . 50.0 109.619 179.698 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -71.78 138.67 32.16 Favored 'Trans proline' 0 C--N 1.356 0.951 0 C-N-CA 117.307 -1.328 . . . . 50.0 114.388 -176.232 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.98 -12.0 19.5 Favored Glycine 0 N--CA 1.45 -0.394 0 N-CA-C 115.826 1.091 . . . . 25.0 115.826 -176.669 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 21.6 m120 -105.22 87.82 2.72 Favored 'General case' 0 N--CA 1.482 1.15 0 CA-C-O 121.424 0.63 . . . . 50.0 111.781 -176.788 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 81.7 t80 -56.87 -44.19 81.97 Favored 'General case' 0 N--CA 1.477 0.91 0 N-CA-C 112.678 0.621 . . . . 50.0 112.678 -179.873 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -60.54 -46.33 90.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.286 -0.416 . . . . 50.0 110.064 -179.218 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 94.7 mm-40 -70.31 -35.56 73.74 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 118.762 0.71 . . . . 50.0 111.254 -177.068 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 61.2 mt-30 -57.23 -38.0 73.13 Favored 'General case' 0 N--CA 1.479 0.989 0 CA-C-N 116.01 -0.541 . . . . 50.0 110.35 175.187 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 93.2 mm-40 -71.49 -39.66 70.72 Favored 'General case' 0 N--CA 1.441 -0.884 0 C-N-CA 120.373 -0.531 . . . . 50.0 111.902 -179.869 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 76.9 mt -63.43 -34.13 65.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 N-CA-C 107.791 -1.188 . . . . 50.0 107.791 -178.011 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 29.3 tp -71.31 -47.03 59.22 Favored 'General case' 0 C--O 1.221 -0.397 0 N-CA-C 113.195 0.813 . . . . 50.0 113.195 176.383 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 43.2 mt -57.28 -41.73 78.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 N-CA-C 109.587 -0.523 . . . . 50.0 109.587 178.589 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 60.6 ttp180 -59.55 -42.81 93.24 Favored 'General case' 0 C--O 1.21 -1.022 0 N-CA-C 112.066 0.395 . . . . 50.0 112.066 178.341 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -62.32 -42.6 99.51 Favored 'General case' 0 C--O 1.22 -0.456 0 O-C-N 123.343 0.402 . . . . 25.0 111.82 176.444 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 71.0 mt -64.48 -38.7 91.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 121.588 -0.695 . . . . 50.0 111.499 179.215 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -70.43 -37.29 74.38 Favored 'General case' 0 C--N 1.32 -0.713 0 O-C-N 122.075 -0.391 . . . . 50.0 111.34 -178.271 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -66.23 -37.7 86.15 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-N 115.576 -0.738 . . . . 25.0 109.428 175.974 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -66.14 -44.98 82.6 Favored 'General case' 0 C--O 1.243 0.731 0 O-C-N 121.938 -0.476 . . . . 25.0 110.146 176.496 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 73.3 t60 -63.91 -24.66 67.82 Favored 'General case' 0 C--O 1.224 -0.269 0 C-N-CA 122.457 0.303 . . . . 50.0 111.419 -178.764 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 28.0 t80 -59.23 -35.5 73.75 Favored 'General case' 0 N--CA 1.48 1.048 0 O-C-N 122.065 -0.397 . . . . 25.0 110.721 176.64 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 81.2 mt-30 -63.01 -46.03 89.58 Favored 'General case' 0 CA--C 1.547 0.838 0 CA-C-O 121.733 0.778 . . . . 25.0 110.956 177.868 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 44.3 tt0 -69.14 -41.79 76.83 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 115.658 -0.701 . . . . 50.0 110.564 -178.414 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 46.6 t80 -61.61 -35.68 78.56 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.021 0.438 . . . . 50.0 110.561 -179.041 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.55 -42.51 82.53 Favored 'General case' 0 CA--C 1.508 -0.663 0 C-N-CA 120.169 -0.613 . . . . 50.0 112.184 177.567 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 65.7 mt-30 -66.35 -36.18 82.25 Favored 'General case' 0 C--N 1.322 -0.622 0 O-C-N 122.11 -0.368 . . . . 25.0 110.238 178.069 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 70.2 tp60 -65.18 -39.35 92.78 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 123.267 0.354 . . . . 50.0 110.121 177.336 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 18.4 mt -67.45 -27.2 66.84 Favored 'General case' 0 C--N 1.312 -1.063 0 O-C-N 121.31 -0.869 . . . . 25.0 113.168 177.641 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -67.93 -40.12 83.39 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.068 -0.715 . . . . 25.0 109.068 175.493 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -70.59 -36.66 73.69 Favored 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 120.308 -0.557 . . . . 25.0 110.012 178.495 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 81.4 t -65.06 -36.85 78.77 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.915 0 CA-C-N 116.191 -0.458 . . . . 50.0 111.211 175.965 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -61.46 -42.28 98.53 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 118.91 0.777 . . . . 50.0 110.533 176.766 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 42.4 mt -66.55 -34.75 78.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.459 -0.791 . . . . 25.0 110.383 179.358 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.98 -38.08 87.61 Favored 'General case' 0 C--N 1.313 -0.987 0 CA-C-N 116.171 -0.468 . . . . 25.0 110.321 176.537 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -67.43 -32.41 73.27 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 120.28 -0.568 . . . . 50.0 111.39 177.486 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 10.8 mm100 -67.45 -43.74 80.37 Favored 'General case' 0 C--O 1.214 -0.814 0 N-CA-C 110.174 -0.306 . . . . 50.0 110.174 174.598 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -70.35 -30.93 67.99 Favored 'General case' 0 C--O 1.241 0.641 0 O-C-N 121.217 -0.927 . . . . 50.0 111.339 -179.637 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -62.96 -33.54 75.6 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 115.391 -0.822 . . . . 25.0 109.604 176.13 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -83.84 -31.06 26.0 Favored 'General case' 0 N--CA 1.481 1.078 0 N-CA-C 112.287 0.477 . . . . 25.0 112.287 177.375 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 37.9 mt -78.43 -40.22 36.49 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 113.726 1.01 . . . . 50.0 113.726 -176.599 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 81.1 mt-30 49.8 38.53 15.92 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.752 1.221 . . . . 25.0 110.791 178.006 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 16.2 ttmt -119.48 29.51 7.58 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 115.137 -0.938 . . . . 50.0 112.989 -173.227 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -78.25 57.32 1.84 Allowed 'General case' 0 CA--C 1.554 1.099 0 CA-C-O 120.913 0.387 . . . . 50.0 110.872 178.057 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 . . . . . 0 C--O 1.205 -1.265 0 N-CA-C 115.499 1.666 . . . . 25.0 115.499 -172.961 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.5 tpp . . . . . 0 N--CA 1.484 1.243 0 CA-C-O 126.651 3.12 . . . . 25.0 111.082 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 2.2 mm-40 -139.13 -174.65 3.91 Favored 'General case' 0 C--O 1.222 -0.375 0 CA-C-N 111.205 -2.725 . . . . 25.0 105.411 -174.482 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 67.5 mt-30 49.7 35.81 9.61 Favored 'General case' 0 N--CA 1.475 0.778 0 O-C-N 123.911 0.757 . . . . 25.0 112.955 176.864 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.6 mppt? -67.91 -36.37 80.08 Favored 'General case' 0 N--CA 1.48 1.043 0 O-C-N 121.599 -0.688 . . . . 25.0 112.551 -178.838 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 53.7 mt-30 -70.83 -24.8 62.61 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 121.612 -0.68 . . . . 25.0 111.918 179.713 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 82.4 mm-40 -61.91 -39.84 93.38 Favored 'General case' 0 C--O 1.209 -1.073 0 N-CA-C 107.086 -1.45 . . . . 50.0 107.086 178.368 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 30.5 mt -66.59 -43.1 90.73 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.838 0 CA-C-O 121.242 0.544 . . . . 50.0 110.488 179.547 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 87.5 mtp -61.67 -39.38 91.21 Favored 'General case' 0 C--O 1.216 -0.677 0 CA-C-N 116.135 -0.484 . . . . 50.0 110.491 -178.298 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.81 -36.57 83.88 Favored 'General case' 0 CA--C 1.553 1.068 0 N-CA-C 112.51 0.559 . . . . 25.0 112.51 178.644 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.49 -46.07 87.83 Favored 'General case' 0 C--O 1.248 0.977 0 N-CA-C 108.576 -0.898 . . . . 25.0 108.576 177.263 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 90.8 mt -64.89 -38.05 89.67 Favored 'General case' 0 C--O 1.209 -1.062 0 N-CA-C 112.614 0.598 . . . . 50.0 112.614 177.542 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -65.55 -35.4 80.75 Favored 'General case' 0 C--N 1.316 -0.872 0 N-CA-C 109.135 -0.691 . . . . 50.0 109.135 -178.54 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 27.1 m -66.48 -38.34 87.07 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.919 -0.582 . . . . 25.0 111.097 176.38 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 82.1 mm-40 -74.7 -16.27 60.76 Favored 'General case' 0 N--CA 1.475 0.786 0 N-CA-C 113.199 0.815 . . . . 50.0 113.199 -179.619 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 52.1 p -124.22 0.79 8.44 Favored 'General case' 0 N--CA 1.478 0.931 0 N-CA-C 113.816 1.043 . . . . 25.0 113.816 -174.945 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -49.16 -51.93 29.5 Favored 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 112.981 0.734 . . . . 25.0 112.981 -172.579 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.9 p -79.54 -32.19 14.47 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.626 0 N-CA-C 112.629 0.603 . . . . 50.0 112.629 -177.723 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 6.5 mp0 -64.62 -42.6 95.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 121.623 -0.673 . . . . 50.0 110.265 178.606 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 15.5 m-30 -73.6 -27.6 61.38 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.964 -0.562 . . . . 50.0 112.262 179.55 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 7.4 tm0? -67.51 -45.45 75.76 Favored 'General case' 0 C--O 1.216 -0.659 0 O-C-N 121.821 -0.549 . . . . 50.0 111.128 172.86 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -62.2 -38.93 91.03 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 118.882 0.765 . . . . 50.0 110.79 177.183 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 61.4 t80 -64.54 -44.71 89.96 Favored 'General case' 0 C--O 1.215 -0.754 0 O-C-N 123.553 0.533 . . . . 50.0 112.416 178.337 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.66 -32.27 73.74 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-O 122.276 1.036 . . . . 25.0 110.541 179.639 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.78 -28.57 67.72 Favored 'General case' 0 N--CA 1.443 -0.784 0 O-C-N 121.431 -0.793 . . . . 25.0 109.216 -179.523 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 19.2 tt0 -77.2 -18.66 57.58 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.101 -0.954 . . . . 50.0 112.81 -179.583 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 87.0 mm-40 -97.93 -45.48 6.27 Favored 'General case' 0 CA--C 1.514 -0.404 0 CA-C-N 115.575 -0.738 . . . . 50.0 111.535 -178.397 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 25.6 m-85 -124.69 68.37 52.6 Favored Pre-proline 0 C--N 1.326 -0.435 0 C-N-CA 122.869 0.467 . . . . 50.0 110.928 178.849 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_endo -65.63 138.71 55.23 Favored 'Trans proline' 0 C--N 1.356 0.97 0 C-N-CA 116.693 -1.738 . . . . 50.0 113.841 -176.374 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 86.84 -30.13 4.76 Favored Glycine 0 CA--C 1.529 0.913 0 O-C-N 125.148 1.53 . . . . 25.0 114.267 -177.129 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -94.88 84.35 4.16 Favored 'General case' 0 C--O 1.216 -0.66 0 CA-C-N 119.294 1.547 . . . . 50.0 111.161 -174.062 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 59.8 t80 -54.16 -42.0 69.1 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-O 121.177 0.513 . . . . 50.0 112.254 178.597 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -61.15 -43.78 98.34 Favored 'General case' 0 C--O 1.217 -0.643 0 O-C-N 120.745 -1.222 . . . . 50.0 111.493 -179.178 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 98.2 mm-40 -72.14 -32.22 66.71 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-O 121.002 0.429 . . . . 50.0 110.872 -179.887 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 70.8 mt-30 -61.72 -34.91 76.64 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 115.926 -0.579 . . . . 50.0 110.132 175.263 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 93.2 mm-40 -76.13 -36.51 58.79 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 121.037 -0.265 . . . . 50.0 110.869 -178.621 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 84.3 mt -63.03 -42.25 95.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 N-CA-C 109.166 -0.679 . . . . 50.0 109.166 176.588 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 42.2 tp -65.77 -46.57 78.26 Favored 'General case' 0 C--N 1.319 -0.742 0 C-N-CA 120.521 -0.471 . . . . 50.0 110.553 -176.685 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 72.0 mt -61.39 -36.57 73.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 N-CA-C 109.947 -0.39 . . . . 50.0 109.947 -179.159 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.5 tmt_? -56.07 -42.47 76.72 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 120.782 -0.367 . . . . 50.0 110.949 175.616 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -69.77 -43.34 72.37 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 120.927 -0.309 . . . . 25.0 110.958 178.275 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 85.9 mt -61.63 -41.34 97.35 Favored 'General case' 0 C--N 1.318 -0.784 0 O-C-N 122.216 -0.303 . . . . 50.0 111.468 -176.687 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -64.63 -38.25 90.37 Favored 'General case' 0 C--O 1.244 0.785 0 CA-C-O 121.358 0.599 . . . . 50.0 112.301 -178.437 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -74.43 -45.81 44.04 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-O 121.06 0.457 . . . . 25.0 110.819 -179.038 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 -62.68 -37.19 85.45 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 122.812 0.445 . . . . 25.0 112.0 -179.287 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 72.4 t60 -65.26 -37.36 86.95 Favored 'General case' 0 C--O 1.213 -0.821 0 CA-C-O 120.974 0.416 . . . . 50.0 109.917 177.105 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 52.3 t80 -63.46 -31.12 72.18 Favored 'General case' 0 C--O 1.218 -0.604 0 C-N-CA 120.036 -0.666 . . . . 25.0 111.241 177.839 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 88.9 mm-40 -66.52 -40.07 88.97 Favored 'General case' 0 C--O 1.238 0.46 0 N-CA-C 109.886 -0.413 . . . . 25.0 109.886 177.537 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -64.8 -46.92 80.01 Favored 'General case' 0 CA--C 1.51 -0.577 0 CA-C-O 121.447 0.641 . . . . 50.0 110.056 177.23 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 51.2 t80 -59.26 -38.5 80.24 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.996 -0.547 . . . . 50.0 110.673 -179.373 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.48 -37.81 65.62 Favored 'General case' 0 CA--C 1.537 0.45 0 O-C-N 121.989 -0.444 . . . . 50.0 111.971 178.573 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 45.0 tt0 -61.34 -46.83 88.59 Favored 'General case' 0 CA--C 1.544 0.743 0 O-C-N 121.62 -0.675 . . . . 25.0 111.608 177.044 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -63.65 -39.8 95.25 Favored 'General case' 0 C--O 1.218 -0.593 0 N-CA-C 108.713 -0.847 . . . . 50.0 108.713 -179.893 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 19.9 mt -64.77 -35.44 81.08 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 112.449 0.537 . . . . 25.0 112.449 177.752 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -60.93 -41.63 96.57 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 116.45 -0.341 . . . . 25.0 110.877 176.664 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 92.6 mt-30 -69.67 -31.8 70.06 Favored 'General case' 0 C--N 1.318 -0.761 0 N-CA-C 112.516 0.561 . . . . 25.0 112.516 179.013 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 93.1 t -71.13 -40.06 74.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 C-N-CA 119.927 -0.709 . . . . 50.0 110.733 178.49 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.6 mm-40 -59.0 -45.8 89.76 Favored 'General case' 0 N--CA 1.444 -0.764 0 CA-C-O 121.558 0.694 . . . . 50.0 110.903 176.875 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 59.0 mt -64.76 -39.7 94.06 Favored 'General case' 0 N--CA 1.439 -0.975 0 CA-C-N 115.461 -0.791 . . . . 25.0 112.445 176.826 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.52 -43.0 99.64 Favored 'General case' 0 C--O 1.24 0.571 0 CA-C-O 121.622 0.725 . . . . 25.0 110.248 179.584 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -66.46 -40.51 89.43 Favored 'General case' 0 C--N 1.322 -0.618 0 O-C-N 122.012 -0.43 . . . . 50.0 111.605 179.756 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -67.55 -37.97 83.46 Favored 'General case' 0 C--O 1.201 -1.492 0 C-N-CA 119.493 -0.883 . . . . 50.0 112.814 -177.341 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -70.4 -28.16 64.86 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 119.271 -0.971 . . . . 50.0 113.05 178.289 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -66.65 -29.47 69.5 Favored 'General case' 0 N--CA 1.471 0.622 0 N-CA-C 109.435 -0.58 . . . . 25.0 109.435 177.017 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -85.78 -38.31 18.34 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.385 -0.371 . . . . 25.0 110.901 177.712 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 69.9 mt -74.27 -36.2 63.8 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 112.134 0.42 . . . . 50.0 112.134 -174.342 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.447 ' C ' ' H ' ' A' ' 68' ' ' GLN . 20.6 mm100 46.67 37.71 4.92 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-O 122.081 0.943 . . . . 25.0 113.537 179.499 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 8.1 mmmm -77.82 31.78 0.17 Allowed 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 123.828 0.851 . . . . 50.0 110.497 177.248 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.447 ' H ' ' C ' ' A' ' 66' ' ' GLN . 85.9 mt-30 -125.2 75.62 1.47 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 122.652 1.215 . . . . 50.0 110.876 -178.191 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 . . . . . 0 N--CA 1.44 -0.941 0 CA-C-O 122.849 1.309 . . . . 25.0 109.153 174.102 . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 60.8 mtt . . . . . 0 N--CA 1.509 2.489 0 CA-C-O 124.944 2.307 . . . . 25.0 113.496 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 72.0 mt-30 -103.74 145.6 29.84 Favored 'General case' 0 CA--C 1.518 -0.281 0 CA-C-N 114.036 -1.438 . . . . 25.0 107.279 169.762 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 16.6 pt20 -146.22 161.81 39.43 Favored 'General case' 0 C--O 1.215 -0.749 0 N-CA-C 109.772 -0.455 . . . . 25.0 109.772 -178.531 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 67.5 mttm 64.72 -45.48 0.32 Allowed 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 125.667 1.587 . . . . 25.0 114.845 -173.988 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -66.64 -22.66 66.1 Favored 'General case' 0 C--O 1.206 -1.21 0 C-N-CA 123.357 0.663 . . . . 25.0 110.429 173.237 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 35.5 mm-40 -58.53 -39.76 81.05 Favored 'General case' 0 C--O 1.217 -0.646 0 CA-C-O 122.618 1.199 . . . . 50.0 109.665 173.372 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 42.3 mt -73.36 -36.01 47.73 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.638 0 N-CA-C 107.128 -1.434 . . . . 50.0 107.128 -177.765 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 74.1 mtp -64.6 -42.94 95.22 Favored 'General case' 0 C--O 1.21 -0.992 0 O-C-N 121.025 -1.047 . . . . 50.0 111.969 177.924 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.97 -43.38 91.36 Favored 'General case' 0 N--CA 1.44 -0.955 0 O-C-N 122.022 -0.424 . . . . 25.0 110.442 177.406 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.03 -46.85 85.62 Favored 'General case' 0 CA--C 1.549 0.913 0 CA-C-O 121.037 0.446 . . . . 25.0 110.09 179.831 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 89.8 mt -67.19 -37.08 83.07 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-O 120.976 0.417 . . . . 50.0 111.095 -178.055 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 74.3 m-20 -65.79 -39.13 90.65 Favored 'General case' 0 C--O 1.216 -0.668 0 CA-C-N 116.505 -0.316 . . . . 50.0 110.184 -179.551 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 44.3 t -61.68 -45.5 93.72 Favored 'General case' 0 C--O 1.24 0.564 0 CA-C-O 121.602 0.715 . . . . 25.0 110.788 177.007 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 17.5 mm-40 -65.47 -24.34 67.14 Favored 'General case' 0 N--CA 1.474 0.769 0 N-CA-C 113.341 0.867 . . . . 50.0 113.341 -178.23 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 56.1 p -115.29 5.97 14.82 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 113.264 0.839 . . . . 25.0 113.264 -175.183 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -49.02 -66.97 0.31 Allowed 'General case' 0 N--CA 1.478 0.974 0 N-CA-C 113.781 1.03 . . . . 25.0 113.781 -174.586 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 8.8 p -70.09 -27.94 34.28 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 CA-C-O 121.241 0.544 . . . . 50.0 110.279 -178.131 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.1 tm0? -62.53 -49.72 74.2 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.222 -0.444 . . . . 50.0 111.647 -178.151 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 20.7 m-30 -81.63 -20.55 39.45 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.327 -0.397 . . . . 50.0 110.417 178.088 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 57.4 tt0 -59.93 -41.0 90.8 Favored 'General case' 0 C--O 1.218 -0.577 0 C-N-CA 120.276 -0.57 . . . . 50.0 112.368 176.432 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 90.7 mm-40 -69.97 -34.13 72.99 Favored 'General case' 0 C--O 1.216 -0.679 0 CA-C-N 118.373 0.533 . . . . 50.0 111.288 179.74 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 78.7 t80 -67.61 -40.02 84.74 Favored 'General case' 0 C--N 1.318 -0.788 0 O-C-N 121.849 -0.532 . . . . 50.0 110.195 176.175 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.401 ' HA ' HD22 ' A' ' 37' ' ' LEU . . . -62.98 -37.77 88.48 Favored 'General case' 0 CA--C 1.547 0.832 0 CA-C-O 121.594 0.712 . . . . 25.0 109.34 178.729 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.85 -26.91 67.87 Favored 'General case' 0 C--N 1.321 -0.637 0 O-C-N 121.699 -0.626 . . . . 25.0 111.071 178.402 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -83.14 -9.99 58.89 Favored 'General case' 0 N--CA 1.48 1.066 0 N-CA-C 112.497 0.555 . . . . 50.0 112.497 -179.855 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 9.4 mm-40 -103.29 -48.44 4.01 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 115.311 -0.859 . . . . 50.0 110.33 178.002 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -121.18 66.46 15.82 Favored Pre-proline 0 C--O 1.259 1.602 0 CA-C-O 121.744 0.783 . . . . 50.0 111.009 -178.807 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -68.95 138.58 40.81 Favored 'Trans proline' 0 C--O 1.219 -0.456 0 C-N-CA 116.056 -2.163 . . . . 50.0 111.343 -179.941 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 89.67 -7.73 81.26 Favored Glycine 0 CA--C 1.521 0.42 0 N-CA-C 114.64 0.616 . . . . 25.0 114.64 -179.947 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 19.6 m120 -120.41 82.7 1.94 Allowed 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 118.092 0.946 . . . . 50.0 111.609 -178.331 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 50.5 t80 -51.09 -45.74 61.59 Favored 'General case' 0 N--CA 1.471 0.575 0 N-CA-C 112.742 0.645 . . . . 50.0 112.742 179.538 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -65.18 -43.62 91.07 Favored 'General case' 0 C--N 1.328 -0.35 0 O-C-N 121.874 -0.516 . . . . 50.0 111.996 -176.97 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 88.1 mm-40 -67.88 -33.99 75.8 Favored 'General case' 0 C--O 1.22 -0.5 0 O-C-N 121.482 -0.761 . . . . 50.0 111.329 178.893 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 69.5 mt-30 -58.7 -37.67 76.59 Favored 'General case' 0 C--O 1.22 -0.458 0 CA-C-N 115.767 -0.651 . . . . 50.0 110.739 173.841 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -74.17 -36.73 64.08 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.847 0.832 . . . . 50.0 109.784 -177.304 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 95.5 mt -63.34 -41.39 92.58 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.591 0 CA-C-N 116.157 -0.474 . . . . 50.0 110.007 177.1 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.401 HD22 ' HA ' ' A' ' 23' ' ' ALA . 43.2 tp -60.41 -46.9 88.34 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.997 -0.281 . . . . 50.0 110.305 179.994 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 73.8 mt -59.38 -40.69 82.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 N-CA-C 113.607 0.965 . . . . 50.0 113.607 176.118 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 52.7 ttp180 -55.61 -40.43 72.06 Favored 'General case' 0 C--O 1.217 -0.614 0 CA-C-N 116.173 -0.467 . . . . 50.0 109.969 177.202 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 19.6 mm100 -77.81 -34.84 51.9 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 113.116 0.784 . . . . 25.0 113.116 178.716 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 85.9 mt -64.48 -42.42 95.89 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 120.606 -0.438 . . . . 50.0 110.823 179.725 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 -68.0 -28.68 67.63 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 121.048 -0.261 . . . . 50.0 110.754 -175.268 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -63.11 -43.72 97.66 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.176 -0.466 . . . . 25.0 110.56 175.618 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 44.6 tt0 -75.9 -35.49 59.8 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-O 121.294 0.569 . . . . 25.0 110.452 -177.579 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 64.2 m80 -70.23 -22.3 62.92 Favored 'General case' 0 N--CA 1.486 1.362 0 O-C-N 120.673 -1.267 . . . . 50.0 110.822 178.709 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 48.1 t80 -63.18 -34.84 78.51 Favored 'General case' 0 CA--C 1.514 -0.411 0 O-C-N 121.322 -0.861 . . . . 25.0 109.965 176.671 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -64.97 -42.68 94.35 Favored 'General case' 0 CA--C 1.506 -0.714 0 CA-C-N 115.176 -0.92 . . . . 25.0 110.593 178.655 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 39.2 tt0 -62.05 -41.51 98.21 Favored 'General case' 0 C--O 1.242 0.699 0 CA-C-O 122.322 1.058 . . . . 50.0 110.194 179.377 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 45.7 t80 -65.3 -39.62 92.74 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.617 -0.719 . . . . 50.0 110.024 179.405 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.46 -37.58 88.02 Favored 'General case' 0 N--CA 1.474 0.725 0 CA-C-N 115.895 -0.593 . . . . 50.0 109.681 177.163 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 67.0 tp60 -63.4 -43.29 97.96 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 109.589 -0.522 . . . . 25.0 109.589 179.026 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 68.9 tp60 -66.72 -39.29 87.95 Favored 'General case' 0 N--CA 1.449 -0.499 0 O-C-N 121.69 -0.631 . . . . 50.0 111.58 -179.872 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 32.9 mt -63.47 -31.88 73.17 Favored 'General case' 0 C--O 1.213 -0.825 0 C-N-CA 122.72 0.408 . . . . 25.0 111.624 179.295 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -70.31 -35.79 73.9 Favored 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 109.756 -0.461 . . . . 25.0 109.756 -178.176 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -67.7 -37.72 82.67 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-O 121.405 0.621 . . . . 25.0 109.451 177.473 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 77.8 t -68.76 -38.97 79.54 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 N-CA-C 109.333 -0.617 . . . . 50.0 109.333 178.542 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 -59.44 -50.27 74.57 Favored 'General case' 0 C--O 1.211 -0.943 0 CA-C-O 119.077 -0.487 . . . . 50.0 110.082 177.389 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 71.7 mt -63.7 -38.56 91.57 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 118.29 0.496 . . . . 25.0 111.496 -179.741 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -57.42 -42.82 83.11 Favored 'General case' 0 CA--C 1.512 -0.507 0 N-CA-C 109.993 -0.373 . . . . 25.0 109.993 178.983 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 67.2 mt-30 -71.23 -28.94 64.55 Favored 'General case' 0 CA--C 1.547 0.839 0 N-CA-C 112.52 0.563 . . . . 50.0 112.52 178.89 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 63.6 mt-30 -67.75 -40.21 84.13 Favored 'General case' 0 N--CA 1.47 0.549 0 O-C-N 121.27 -0.894 . . . . 50.0 109.749 171.921 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -65.62 -35.58 81.22 Favored 'General case' 0 C--O 1.249 1.029 0 CA-C-O 121.709 0.766 . . . . 50.0 110.249 177.483 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -66.26 -32.39 73.78 Favored 'General case' 0 CA--C 1.552 1.027 0 CA-C-N 115.036 -0.984 . . . . 25.0 110.028 179.45 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -82.21 -25.73 33.94 Favored 'General case' 0 C--O 1.207 -1.152 0 N-CA-C 109.918 -0.401 . . . . 25.0 109.918 179.563 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 31.1 mt -80.64 -44.24 19.17 Favored 'General case' 0 N--CA 1.448 -0.541 0 N-CA-C 112.438 0.533 . . . . 50.0 112.438 -176.981 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 12.0 mm100 48.68 28.79 1.94 Allowed 'General case' 0 C--O 1.213 -0.854 0 C-N-CA 123.875 0.87 . . . . 25.0 112.75 -177.632 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 6.0 tmtt? -119.7 18.65 12.64 Favored 'General case' 0 C--O 1.212 -0.896 0 O-C-N 121.85 -0.531 . . . . 50.0 109.976 -177.328 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 -127.48 63.68 1.35 Allowed 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.557 -0.747 . . . . 50.0 110.301 -175.897 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 67.9 mt-30 . . . . . 0 CA--C 1.561 1.375 0 CA-C-O 127.929 3.728 . . . . 25.0 111.647 -178.64 . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.3 ttp . . . . . 0 N--CA 1.51 2.567 0 CA-C-O 123.9 1.809 . . . . 25.0 114.881 . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 57.09 21.88 6.86 Favored 'General case' 0 CA--C 1.57 1.713 0 O-C-N 120.335 -1.478 . . . . 25.0 114.004 -177.149 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -85.89 64.08 8.4 Favored 'General case' 0 N--CA 1.432 -1.337 0 O-C-N 120.583 -1.323 . . . . 25.0 110.193 176.237 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 38.7 ttmt -51.4 -40.17 58.73 Favored 'General case' 0 C--O 1.218 -0.59 0 N-CA-C 114.221 1.193 . . . . 25.0 114.221 -178.537 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 80.7 mt-30 -67.93 -31.84 71.87 Favored 'General case' 0 C--N 1.316 -0.883 0 O-C-N 120.772 -1.205 . . . . 25.0 109.814 -174.151 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 83.2 mt-30 -71.48 -37.19 71.33 Favored 'General case' 0 C--O 1.199 -1.567 0 C-N-CA 120.444 -0.502 . . . . 50.0 111.733 178.545 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 30.3 mt -67.56 -40.69 84.76 Favored 'Isoleucine or valine' 0 C--O 1.262 1.717 0 N-CA-C 108.952 -0.759 . . . . 50.0 108.952 178.078 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.8 mmt -67.36 -36.49 81.49 Favored 'General case' 0 C--N 1.309 -1.162 0 O-C-N 124.183 0.927 . . . . 50.0 111.585 -178.795 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.48 -41.14 84.61 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-O 122.498 1.142 . . . . 25.0 108.847 177.455 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.96 -50.16 51.58 Favored 'General case' 0 N--CA 1.469 0.478 0 O-C-N 121.564 -0.71 . . . . 25.0 111.117 -178.973 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 87.8 mt -62.27 -33.65 75.03 Favored 'General case' 0 C--O 1.202 -1.409 0 CA-C-O 120.707 0.289 . . . . 50.0 110.459 178.18 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 8.2 m120 -69.43 -33.2 72.61 Favored 'General case' 0 N--CA 1.485 1.293 0 O-C-N 120.397 -1.439 . . . . 50.0 108.542 -179.636 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 73.3 m -68.83 -44.04 74.29 Favored 'General case' 0 N--CA 1.491 1.587 0 N-CA-C 108.059 -1.089 . . . . 25.0 108.059 -178.599 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 93.2 mm-40 -70.59 -17.49 62.9 Favored 'General case' 0 C--N 1.315 -0.928 0 N-CA-C 113.938 1.088 . . . . 50.0 113.938 -177.434 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 75.7 p -121.7 -1.67 9.46 Favored 'General case' 0 C--O 1.244 0.78 0 N-CA-C 116.771 2.138 . . . . 25.0 116.771 -175.556 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.72 -63.71 1.06 Allowed 'General case' 0 N--CA 1.491 1.603 0 N-CA-C 115.049 1.499 . . . . 25.0 115.049 -175.259 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.6 p -73.62 -25.07 20.46 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.027 0 O-C-N 121.229 -0.919 . . . . 50.0 110.162 -177.937 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 15.3 tt0 -67.57 -40.01 84.91 Favored 'General case' 0 C--N 1.313 -0.994 0 O-C-N 120.322 -1.486 . . . . 50.0 109.354 -177.197 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 17.8 m-30 -84.64 -20.32 31.52 Favored 'General case' 0 C--N 1.309 -1.19 0 CA-C-N 116.022 -0.535 . . . . 50.0 110.303 -179.021 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 28.6 tt0 -66.24 -41.42 90.04 Favored 'General case' 0 C--N 1.29 -1.988 0 N-CA-C 109.013 -0.736 . . . . 50.0 109.013 179.85 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 54.3 mt-30 -63.68 -37.49 87.53 Favored 'General case' 0 C--O 1.207 -1.151 0 N-CA-C 108.05 -1.093 . . . . 50.0 108.05 -177.33 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 79.9 t80 -68.56 -43.02 77.5 Favored 'General case' 0 CA--C 1.517 -0.294 0 N-CA-C 112.512 0.56 . . . . 50.0 112.512 176.773 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.52 -36.7 85.06 Favored 'General case' 0 C--O 1.248 1.017 0 N-CA-C 108.917 -0.772 . . . . 25.0 108.917 -179.653 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.35 -23.64 65.63 Favored 'General case' 0 C--N 1.319 -0.744 0 C-N-CA 118.732 -1.187 . . . . 25.0 112.813 176.471 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 19.6 tt0 -82.14 -27.12 32.94 Favored 'General case' 0 CA--C 1.557 1.221 0 N-CA-C 108.399 -0.963 . . . . 50.0 108.399 -178.555 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 74.0 mm-40 -84.99 -50.14 7.72 Favored 'General case' 0 N--CA 1.499 2.023 0 N-CA-C 113.618 0.97 . . . . 50.0 113.618 178.893 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 25.5 m-85 -119.45 69.47 11.45 Favored Pre-proline 0 N--CA 1.477 0.89 0 N-CA-C 107.676 -1.231 . . . . 50.0 107.676 -179.961 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -69.37 140.16 43.42 Favored 'Trans proline' 0 C--O 1.209 -0.927 0 C-N-CA 116.905 -1.597 . . . . 50.0 110.62 -171.026 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 81.1 -25.11 3.7 Favored Glycine 0 N--CA 1.44 -1.058 0 CA-C-O 117.136 -1.925 . . . . 25.0 116.863 -174.796 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -96.57 83.89 3.57 Favored 'General case' 0 C--O 1.24 0.555 0 CA-C-N 120.527 2.164 . . . . 50.0 112.381 -172.98 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 21.4 t80 -54.01 -49.53 68.68 Favored 'General case' 0 CA--C 1.549 0.928 0 CA-C-O 118.694 -0.669 . . . . 50.0 110.556 -175.148 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 26.4 pt-20 -56.52 -45.6 81.0 Favored 'General case' 0 CA--C 1.552 1.034 0 CA-C-N 120.125 1.33 . . . . 50.0 111.192 -178.845 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 97.3 mm-40 -68.05 -36.79 80.46 Favored 'General case' 0 C--O 1.24 0.582 0 N-CA-C 114.557 1.318 . . . . 50.0 114.557 177.404 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 70.1 mt-30 -57.13 -38.39 73.38 Favored 'General case' 0 C--O 1.26 1.615 0 O-C-N 124.659 1.225 . . . . 50.0 110.068 175.635 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 91.3 mm-40 -69.87 -41.24 75.09 Favored 'General case' 0 N--CA 1.447 -0.598 0 C-N-CA 119.998 -0.681 . . . . 50.0 109.893 -175.806 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 70.6 mt -61.02 -42.72 94.15 Favored 'Isoleucine or valine' 0 CA--C 1.576 1.981 0 CA-C-O 122.055 0.931 . . . . 50.0 109.904 -177.777 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 42.5 tp -62.09 -49.43 75.98 Favored 'General case' 0 N--CA 1.428 -1.528 0 CA-C-O 122.185 0.993 . . . . 50.0 113.061 179.1 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 33.0 mt -55.09 -42.63 65.98 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 114.538 -1.21 . . . . 50.0 108.945 177.722 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 73.8 mtp180 -64.35 -37.95 89.3 Favored 'General case' 0 N--CA 1.474 0.73 0 O-C-N 121.55 -0.719 . . . . 50.0 110.033 -178.858 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -62.82 -47.61 82.66 Favored 'General case' 0 C--N 1.297 -1.684 0 O-C-N 123.171 0.294 . . . . 25.0 111.714 176.071 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 35.3 mt -62.36 -27.3 68.97 Favored 'General case' 0 CA--C 1.549 0.926 0 N-CA-C 114.58 1.326 . . . . 50.0 114.58 179.294 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 92.1 mt-30 -73.3 -36.97 66.35 Favored 'General case' 0 CA--C 1.568 1.652 0 CA-C-N 115.233 -0.894 . . . . 50.0 111.351 177.65 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -62.96 -37.87 88.84 Favored 'General case' 0 N--CA 1.492 1.631 0 CA-C-N 116.172 -0.467 . . . . 25.0 111.666 172.924 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -65.27 -44.83 86.79 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-O 122.045 0.926 . . . . 25.0 110.738 174.089 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 78.0 t60 -59.67 -29.37 68.01 Favored 'General case' 0 N--CA 1.434 -1.234 0 N-CA-C 113.239 0.829 . . . . 50.0 113.239 175.889 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 62.6 t80 -63.24 -35.22 79.6 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 120.023 -1.673 . . . . 25.0 109.609 179.341 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 69.1 mt-30 -64.91 -40.06 94.49 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 114.904 -1.044 . . . . 25.0 110.382 176.136 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 8.2 mp0 -70.45 -34.99 73.07 Favored 'General case' 0 N--CA 1.447 -0.576 0 C-N-CA 118.029 -1.469 . . . . 50.0 109.538 179.934 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 17.8 t80 -60.03 -40.24 88.66 Favored 'General case' 0 C--O 1.211 -0.958 0 N-CA-C 113.426 0.899 . . . . 50.0 113.426 175.216 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 37.9 mmt -66.85 -36.36 82.16 Favored 'General case' 0 CA--C 1.508 -0.667 0 O-C-N 120.751 -1.218 . . . . 50.0 111.76 174.775 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 -66.49 -37.77 85.81 Favored 'General case' 0 C--O 1.258 1.544 0 O-C-N 124.578 1.174 . . . . 25.0 110.056 178.338 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 72.4 tp60 -69.96 -46.36 65.43 Favored 'General case' 0 C--N 1.307 -1.272 0 CA-C-O 118.466 -0.778 . . . . 50.0 110.387 174.856 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 47.9 mt -57.78 -35.14 70.38 Favored 'General case' 0 C--O 1.209 -1.069 0 CA-C-N 119.604 1.093 . . . . 25.0 111.23 -178.839 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -58.11 -42.13 85.05 Favored 'General case' 0 CA--C 1.55 0.964 0 N-CA-C 109.767 -0.457 . . . . 25.0 109.767 -178.377 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 52.5 mt-30 -70.81 -33.38 70.64 Favored 'General case' 0 C--N 1.297 -1.699 0 C-N-CA 123.323 0.649 . . . . 25.0 111.182 177.844 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 86.6 t -70.07 -33.58 55.7 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.729 0 N-CA-C 109.377 -0.601 . . . . 50.0 109.377 177.679 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -68.19 -45.72 72.63 Favored 'General case' 0 C--O 1.247 0.966 0 N-CA-C 107.069 -1.456 . . . . 50.0 107.069 179.945 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 24.0 mt -67.07 -32.98 74.52 Favored 'General case' 0 N--CA 1.434 -1.232 0 O-C-N 123.77 0.669 . . . . 25.0 110.702 178.351 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.45 -39.9 89.2 Favored 'General case' 0 C--O 1.253 1.281 0 O-C-N 121.969 -0.457 . . . . 25.0 110.713 173.76 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -69.15 -32.59 72.04 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-N 115.903 -0.59 . . . . 50.0 110.201 178.643 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -70.49 -46.38 63.84 Favored 'General case' 0 N--CA 1.443 -0.787 0 O-C-N 124.262 0.976 . . . . 50.0 111.361 -177.82 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -67.7 -27.27 66.68 Favored 'General case' 0 CA--C 1.569 1.675 0 C-N-CA 119.711 -0.796 . . . . 50.0 111.488 176.917 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.11 -22.3 59.53 Favored 'General case' 0 N--CA 1.496 1.859 0 C-N-CA 123.471 0.708 . . . . 25.0 110.442 -179.522 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -85.21 -30.03 24.21 Favored 'General case' 0 CA--C 1.547 0.844 0 O-C-N 124.426 1.079 . . . . 25.0 109.128 175.26 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 72.6 mt -84.81 -51.02 7.07 Favored 'General case' 0 N--CA 1.478 0.934 0 N-CA-C 113.163 0.801 . . . . 50.0 113.163 -179.542 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 16.8 mm100 48.28 45.48 20.17 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-O 122.746 1.26 . . . . 25.0 113.033 -175.808 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 12.6 mptt -108.27 3.29 23.4 Favored 'General case' 0 C--N 1.353 0.754 0 CA-C-N 113.346 -1.752 . . . . 50.0 112.191 176.906 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 86.5 mt-30 -125.07 98.29 5.61 Favored 'General case' 0 N--CA 1.489 1.496 0 CA-C-O 122.138 0.97 . . . . 50.0 109.999 173.84 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 36.7 tt0 . . . . . 0 C--O 1.186 -2.246 0 CA-C-O 125.444 2.545 . . . . 25.0 111.14 178.347 . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 85.7 mmm . . . . . 0 N--CA 1.488 1.447 0 N-CA-C 115.038 1.495 . . . . 25.0 115.038 . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 56.2 mt-30 -127.33 41.87 3.43 Favored 'General case' 0 N--CA 1.478 0.962 0 CA-C-N 113.75 -1.568 . . . . 25.0 110.182 -175.357 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 67.4 mt-30 -88.2 90.22 8.3 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 108.315 -0.994 . . . . 25.0 108.315 -179.684 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 18.1 ptmt -150.68 -34.63 0.16 Allowed 'General case' 0 CA--C 1.512 -0.509 0 N-CA-C 118.001 2.593 . . . . 25.0 118.001 -172.112 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 -62.01 -25.85 67.88 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 114.024 1.12 . . . . 25.0 114.024 179.919 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 90.6 mt-30 -66.36 -40.27 89.66 Favored 'General case' 0 C--O 1.205 -1.237 0 O-C-N 121.05 -1.031 . . . . 50.0 109.091 178.311 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 77.4 mt -64.82 -47.6 87.81 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.817 0 N-CA-C 107.016 -1.476 . . . . 50.0 107.016 -178.406 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 78.6 mtp -59.15 -46.78 87.49 Favored 'General case' 0 N--CA 1.427 -1.576 0 C-N-CA 120.186 -0.605 . . . . 50.0 111.092 -179.909 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.59 -37.75 82.39 Favored 'General case' 0 CA--C 1.555 1.146 0 N-CA-C 113.929 1.085 . . . . 25.0 113.929 -178.388 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.25 -44.88 82.46 Favored 'General case' 0 CA--C 1.497 -1.096 0 CA-C-N 116.391 -0.368 . . . . 25.0 110.299 176.897 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 98.0 mt -67.78 -41.35 83.39 Favored 'General case' 0 C--N 1.308 -1.207 0 O-C-N 124.343 1.027 . . . . 50.0 110.354 -177.946 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 96.0 m-20 -69.19 -27.76 65.78 Favored 'General case' 0 C--O 1.248 0.982 0 CA-C-N 115.857 -0.61 . . . . 50.0 110.999 -176.122 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.44 -22.86 65.49 Favored 'General case' 0 N--CA 1.483 1.213 0 N-CA-C 111.757 0.281 . . . . 25.0 111.757 -178.264 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 58.6 mm-40 -75.62 -19.86 58.92 Favored 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 112.888 0.699 . . . . 50.0 112.888 175.464 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 38.0 p -125.95 11.33 7.71 Favored 'General case' 0 N--CA 1.432 -1.343 0 CA-C-O 121.618 0.723 . . . . 25.0 112.582 -171.701 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.08 -65.06 0.62 Allowed 'General case' 0 C--O 1.248 0.992 0 C-N-CA 123.532 0.733 . . . . 25.0 111.882 -176.337 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.0 p -73.98 -25.88 20.64 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.855 0 CA-C-O 122.072 0.939 . . . . 50.0 111.796 -178.464 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 43.2 tt0 -62.81 -42.56 99.77 Favored 'General case' 0 C--O 1.216 -0.685 0 CA-C-O 121.971 0.891 . . . . 50.0 111.505 -179.903 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 18.8 m-30 -77.63 -25.84 50.05 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-O 117.532 -1.223 . . . . 50.0 111.043 177.095 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 55.5 tt0 -67.84 -45.06 75.69 Favored 'General case' 0 C--O 1.243 0.726 0 CA-C-O 121.799 0.809 . . . . 50.0 109.257 179.67 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 19.2 mm100 -64.19 -40.85 96.95 Favored 'General case' 0 N--CA 1.441 -0.904 0 CA-C-O 122.637 1.208 . . . . 50.0 110.297 178.01 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 87.1 t80 -64.44 -41.96 96.26 Favored 'General case' 0 N--CA 1.468 0.454 0 O-C-N 120.822 -1.174 . . . . 50.0 112.051 177.459 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.15 -41.37 88.14 Favored 'General case' 0 N--CA 1.434 -1.235 0 CA-C-O 119.48 -0.295 . . . . 25.0 110.872 -177.511 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.16 -26.11 65.6 Favored 'General case' 0 C--N 1.319 -0.749 0 O-C-N 125.726 1.891 . . . . 25.0 111.386 -177.737 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -75.4 -25.03 57.28 Favored 'General case' 0 CA--C 1.552 1.042 0 C-N-CA 123.517 0.727 . . . . 50.0 110.514 -179.427 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 83.2 mm-40 -95.66 -43.77 7.76 Favored 'General case' 0 CA--C 1.554 1.105 0 N-CA-C 114.221 1.193 . . . . 50.0 114.221 179.136 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -125.89 68.69 63.64 Favored Pre-proline 0 N--CA 1.47 0.54 0 CA-C-O 122.413 1.102 . . . . 50.0 111.211 -179.574 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 70.7 Cg_endo -72.07 143.54 40.54 Favored 'Trans proline' 0 CA--C 1.534 0.487 0 C-N-CA 116.567 -1.822 . . . . 50.0 112.743 -175.067 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.19 -3.43 58.16 Favored Glycine 0 C--O 1.267 2.215 0 C-N-CA 119.722 -1.227 . . . . 25.0 113.879 -176.749 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -117.35 85.12 2.27 Favored 'General case' 0 C--O 1.196 -1.753 0 CA-C-O 122.004 0.906 . . . . 50.0 111.398 176.323 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 26.4 t80 -54.94 -44.41 74.27 Favored 'General case' 0 C--O 1.21 -0.983 0 N-CA-C 113.301 0.852 . . . . 50.0 113.301 177.797 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -62.76 -42.55 99.73 Favored 'General case' 0 N--CA 1.48 1.053 0 N-CA-C 113.926 1.084 . . . . 50.0 113.926 -178.906 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 97.9 mm-40 -67.61 -34.58 77.29 Favored 'General case' 0 C--O 1.251 1.142 0 O-C-N 121.33 -0.856 . . . . 50.0 111.21 176.115 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 69.5 mt-30 -62.97 -35.91 81.73 Favored 'General case' 0 C--N 1.308 -1.222 0 CA-C-O 122.251 1.024 . . . . 50.0 110.924 178.042 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 40.5 mm-40 -70.24 -42.74 71.81 Favored 'General case' 0 C--O 1.2 -1.501 0 N-CA-C 107.675 -1.231 . . . . 50.0 107.675 179.582 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 68.6 mt -59.83 -39.94 81.32 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.518 0 CA-C-O 122.864 1.316 . . . . 50.0 109.888 -177.315 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 26.4 tp -64.59 -53.3 49.85 Favored 'General case' 0 C--O 1.206 -1.222 0 CA-C-N 114.818 -1.083 . . . . 50.0 112.086 -178.583 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 61.8 mt -53.68 -42.25 50.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 C-N-CA 123.522 0.729 . . . . 50.0 110.669 176.623 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 22.2 ttm180 -54.68 -45.61 73.94 Favored 'General case' 0 C--O 1.249 1.078 0 CA-C-N 118.116 0.417 . . . . 50.0 110.29 177.512 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 58.5 mt-30 -65.65 -40.7 92.74 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 113.804 1.038 . . . . 25.0 113.804 178.016 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 44.7 mt -65.82 -40.23 91.63 Favored 'General case' 0 CA--C 1.56 1.352 0 C-N-CA 119.308 -0.957 . . . . 50.0 109.212 -179.888 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 -61.31 -33.24 73.27 Favored 'General case' 0 C--N 1.309 -1.193 0 CA-C-N 116.122 -0.49 . . . . 50.0 112.03 175.764 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -67.53 -42.7 82.31 Favored 'General case' 0 C--N 1.316 -0.878 0 O-C-N 121.351 -0.843 . . . . 25.0 112.641 177.339 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -61.21 -49.39 77.35 Favored 'General case' 0 C--N 1.353 0.732 0 CA-C-O 121.339 0.59 . . . . 25.0 109.815 177.406 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 11.7 t60 -63.81 -38.98 93.1 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-O 118.833 -0.603 . . . . 50.0 110.937 -178.485 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 38.1 t80 -63.6 -41.8 98.3 Favored 'General case' 0 CA--C 1.505 -0.766 0 N-CA-C 113.889 1.07 . . . . 25.0 113.889 176.133 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 59.6 mt-30 -64.13 -34.86 79.02 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 120.229 -0.589 . . . . 25.0 111.879 177.579 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.9 tp-100 -61.14 -41.58 96.99 Favored 'General case' 0 C--N 1.314 -0.968 0 C-N-CA 120.132 -0.627 . . . . 50.0 110.39 178.308 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 28.7 t80 -72.12 -38.44 69.28 Favored 'General case' 0 C--N 1.344 0.35 0 CA-C-O 122.089 0.947 . . . . 50.0 110.408 -178.093 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 30.3 mmt -59.65 -33.58 71.72 Favored 'General case' 0 C--O 1.197 -1.666 0 CA-C-N 115.437 -0.801 . . . . 50.0 110.683 174.539 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 55.3 tt0 -67.53 -39.57 85.04 Favored 'General case' 0 CA--C 1.557 1.234 0 C-N-CA 118.465 -1.294 . . . . 25.0 110.496 -175.855 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 58.3 tt0 -59.42 -53.47 57.85 Favored 'General case' 0 C--N 1.313 -0.994 0 O-C-N 121.237 -0.915 . . . . 50.0 109.275 173.841 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.0 mt -64.56 -27.56 69.04 Favored 'General case' 0 C--O 1.198 -1.65 0 O-C-N 122.045 -0.409 . . . . 25.0 110.375 -172.576 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -60.0 -44.52 94.5 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 109.178 -0.675 . . . . 25.0 109.178 175.938 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -71.23 -40.76 70.87 Favored 'General case' 0 C--O 1.248 0.98 0 N-CA-C 108.945 -0.761 . . . . 25.0 108.945 -177.845 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 90.7 t -60.11 -38.54 77.35 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.154 0 CA-C-O 117.78 -1.105 . . . . 50.0 110.543 173.6 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 7.7 mm100 -63.65 -42.68 98.08 Favored 'General case' 0 C--O 1.208 -1.093 0 CA-C-N 120.117 1.326 . . . . 50.0 109.192 -179.822 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 93.5 mt -64.81 -46.82 80.39 Favored 'General case' 0 N--CA 1.446 -0.668 0 CA-C-O 118.561 -0.733 . . . . 25.0 109.214 178.906 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -49.71 -51.04 41.46 Favored 'General case' 0 C--O 1.253 1.281 0 N-CA-C 111.988 0.366 . . . . 25.0 111.988 176.337 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 -66.84 -32.95 74.57 Favored 'General case' 0 C--O 1.194 -1.835 0 N-CA-C 113.41 0.893 . . . . 50.0 113.41 -178.537 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -71.99 -37.08 69.92 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 119.3 0.954 . . . . 50.0 111.747 176.363 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -66.96 -35.11 79.25 Favored 'General case' 0 CA--C 1.505 -0.766 0 CA-C-N 120.061 1.3 . . . . 50.0 111.186 175.467 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.39 -34.9 74.57 Favored 'General case' 0 C--O 1.212 -0.885 0 C-N-CA 120.253 -0.579 . . . . 25.0 111.568 172.932 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -80.85 -35.97 32.07 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 120.724 -1.235 . . . . 25.0 111.581 179.928 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 63.5 mt -71.61 -23.18 61.67 Favored 'General case' 0 C--O 1.254 1.297 0 N-CA-C 113.03 0.752 . . . . 50.0 113.03 -176.513 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -106.36 31.37 5.23 Favored 'General case' 0 C--O 1.215 -0.729 0 CA-C-N 115.182 -0.917 . . . . 25.0 112.825 179.476 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -115.31 25.85 10.53 Favored 'General case' 0 N--CA 1.492 1.65 0 C-N-CA 125.559 1.543 . . . . 50.0 114.599 -175.757 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 63.8 mt-30 50.33 65.47 1.43 Allowed 'General case' 0 CA--C 1.538 0.503 0 CA-C-O 123.375 1.56 . . . . 50.0 112.368 178.883 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 4.2 pm0 . . . . . 0 C--O 1.192 -1.924 0 N-CA-C 115.808 1.781 . . . . 25.0 115.808 176.655 . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 40.8 tpp . . . . . 0 N--CA 1.477 0.89 0 CA-C-O 125.843 2.735 . . . . 25.0 114.189 . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 22.2 tm0? -103.36 -36.45 8.02 Favored 'General case' 0 C--N 1.353 0.748 0 CA-C-N 111.773 -2.467 . . . . 25.0 112.918 179.85 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -76.85 116.91 17.93 Favored 'General case' 0 N--CA 1.434 -1.249 0 C-N-CA 120.29 -0.564 . . . . 25.0 109.858 -176.133 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -116.48 -37.18 3.78 Favored 'General case' 0 C--O 1.241 0.611 0 N-CA-C 113.645 0.98 . . . . 25.0 113.645 -178.518 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 68.5 mt-30 -65.57 -30.43 71.16 Favored 'General case' 0 C--N 1.306 -1.312 0 CA-C-N 114.297 -1.32 . . . . 25.0 112.433 176.601 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 9.6 mm-40 -58.49 -39.0 78.79 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.28 -0.418 . . . . 50.0 111.965 171.997 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 56.6 mt -71.74 -40.86 70.39 Favored 'Isoleucine or valine' 0 C--N 1.351 0.664 0 N-CA-C 104.028 -2.582 . . . . 50.0 104.028 -173.611 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 61.5 mtp -64.32 -37.07 86.18 Favored 'General case' 0 CA--C 1.507 -0.689 0 N-CA-C 109.723 -0.473 . . . . 50.0 109.723 -177.107 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.15 -33.98 77.3 Favored 'General case' 0 CA--C 1.543 0.702 0 O-C-N 125.548 1.78 . . . . 25.0 110.388 177.301 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.91 -46.28 68.72 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.548 -0.751 . . . . 25.0 110.745 177.423 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 95.0 mt -63.19 -38.27 90.53 Favored 'General case' 0 C--O 1.207 -1.145 0 C-N-CA 123.745 0.818 . . . . 50.0 109.237 178.103 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -60.57 -38.3 84.12 Favored 'General case' 0 C--N 1.313 -1.018 0 CA-C-O 118.969 -0.539 . . . . 50.0 111.139 -179.951 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 14.7 t -63.46 -37.6 87.92 Favored 'General case' 0 C--O 1.205 -1.249 0 N-CA-C 112.924 0.713 . . . . 25.0 112.924 176.45 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -69.86 -31.36 69.15 Favored 'General case' 0 C--O 1.205 -1.241 0 N-CA-C 115.334 1.605 . . . . 50.0 115.334 179.204 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 72.7 p -114.8 3.9 14.79 Favored 'General case' 0 C--O 1.2 -1.524 0 N-CA-C 113.936 1.087 . . . . 25.0 113.936 -171.045 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -48.54 -64.18 0.87 Allowed 'General case' 0 CA--C 1.547 0.845 0 O-C-N 121.138 -0.976 . . . . 25.0 113.465 -173.62 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 11.3 p -76.23 -29.08 18.89 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.081 0 O-C-N 121.914 -0.491 . . . . 50.0 111.732 -179.072 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 55.9 tt0 -62.58 -45.12 94.34 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 108.106 -1.072 . . . . 50.0 108.106 -178.34 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 14.1 m-30 -75.91 -25.47 56.05 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-O 118.963 -0.541 . . . . 50.0 112.391 176.143 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -64.8 -44.19 90.72 Favored 'General case' 0 CA--C 1.569 1.692 0 C-N-CA 120.386 -0.525 . . . . 50.0 110.567 177.096 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -63.43 -40.87 98.33 Favored 'General case' 0 C--O 1.245 0.848 0 N-CA-C 113.636 0.976 . . . . 50.0 113.636 176.45 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 89.2 t80 -65.89 -41.11 91.95 Favored 'General case' 0 N--CA 1.439 -1.001 0 N-CA-C 113.161 0.8 . . . . 50.0 113.161 173.827 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -68.06 -35.59 78.47 Favored 'General case' 0 CA--C 1.559 1.312 0 CA-C-O 121.773 0.797 . . . . 25.0 111.016 -178.602 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.71 -27.14 65.68 Favored 'General case' 0 N--CA 1.476 0.872 0 O-C-N 120.786 -1.196 . . . . 25.0 113.244 173.511 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -72.76 -20.68 61.14 Favored 'General case' 0 C--O 1.244 0.794 0 N-CA-C 113.261 0.838 . . . . 50.0 113.261 175.222 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 83.1 mm-40 -99.85 -40.6 7.62 Favored 'General case' 0 N--CA 1.496 1.865 0 CA-C-O 122.773 1.273 . . . . 50.0 114.112 -177.238 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 22.8 m-85 -126.44 67.24 64.89 Favored Pre-proline 0 N--CA 1.496 1.83 0 CA-C-N 114.9 -1.046 . . . . 50.0 112.335 -179.452 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -69.0 138.43 40.2 Favored 'Trans proline' 0 CA--C 1.548 1.187 0 C-N-CA 118.591 -0.473 . . . . 50.0 113.319 -174.571 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.44 3.73 83.16 Favored Glycine 0 CA--C 1.537 1.452 0 O-C-N 120.249 -1.532 . . . . 25.0 113.238 -179.923 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -121.42 86.81 2.64 Favored 'General case' 0 N--CA 1.474 0.772 0 O-C-N 120.403 -1.645 . . . . 50.0 111.125 -179.808 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 47.0 t80 -58.74 -47.06 85.92 Favored 'General case' 0 N--CA 1.515 2.782 0 N-CA-C 113.146 0.795 . . . . 50.0 113.146 178.333 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -62.63 -38.37 89.97 Favored 'General case' 0 C--O 1.192 -1.938 0 O-C-N 121.052 -1.03 . . . . 50.0 111.967 179.766 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 97.3 mm-40 -71.55 -35.27 70.56 Favored 'General case' 0 CA--C 1.495 -1.138 0 O-C-N 120.338 -1.476 . . . . 50.0 113.397 -179.933 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 71.3 mt-30 -59.31 -40.49 86.37 Favored 'General case' 0 C--O 1.252 1.186 0 CA-C-N 114.533 -1.212 . . . . 50.0 111.195 175.687 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 63.8 mm-40 -65.7 -43.15 90.06 Favored 'General case' 0 CA--C 1.546 0.8 0 CA-C-O 121.311 0.577 . . . . 50.0 109.562 -177.936 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 93.3 mt -60.1 -45.74 95.31 Favored 'Isoleucine or valine' 0 C--O 1.248 1.019 0 N-CA-C 107.652 -1.24 . . . . 50.0 107.652 -178.916 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 34.8 tp -60.42 -47.24 86.95 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-O 118.386 -0.816 . . . . 50.0 111.897 178.598 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 61.7 mt -57.53 -40.48 75.11 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 CA-C-N 119.484 1.038 . . . . 50.0 110.274 179.887 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.2 -36.21 74.96 Favored 'General case' 0 N--CA 1.475 0.778 0 O-C-N 123.594 0.559 . . . . 50.0 110.842 178.834 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -74.26 -44.3 53.49 Favored 'General case' 0 CA--C 1.501 -0.923 0 C-N-CA 120.179 -0.608 . . . . 25.0 111.136 177.883 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 97.6 mt -60.99 -38.3 85.53 Favored 'General case' 0 N--CA 1.438 -1.052 0 C-N-CA 120.269 -0.573 . . . . 50.0 110.952 -173.978 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 34.9 mm-40 -64.14 -40.15 95.54 Favored 'General case' 0 C--O 1.222 -0.352 0 O-C-N 120.629 -1.294 . . . . 50.0 109.607 -179.612 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -77.38 -29.88 53.42 Favored 'General case' 0 N--CA 1.485 1.295 0 O-C-N 120.634 -1.291 . . . . 25.0 110.036 -176.88 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 77.4 mm-40 -68.15 -44.16 76.65 Favored 'General case' 0 N--CA 1.492 1.629 0 N-CA-C 108.047 -1.094 . . . . 25.0 108.047 179.3 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 25.7 t60 -64.1 -40.26 95.84 Favored 'General case' 0 C--O 1.249 1.037 0 CA-C-O 120.906 0.384 . . . . 50.0 110.934 173.954 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 69.8 t80 -60.83 -34.27 74.31 Favored 'General case' 0 C--O 1.241 0.642 0 N-CA-C 113.272 0.841 . . . . 25.0 113.272 -176.658 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -67.64 -43.94 79.12 Favored 'General case' 0 N--CA 1.501 2.098 0 C-N-CA 119.738 -0.785 . . . . 25.0 109.637 -179.2 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 49.6 tt0 -66.12 -37.09 84.87 Favored 'General case' 0 C--O 1.213 -0.827 0 CA-C-N 116.357 -0.383 . . . . 50.0 110.071 178.188 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 41.5 t80 -61.47 -48.32 81.67 Favored 'General case' 0 C--O 1.203 -1.369 0 C-N-CA 123.39 0.676 . . . . 50.0 109.841 175.877 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.73 -39.55 91.96 Favored 'General case' 0 C--O 1.206 -1.192 0 CA-C-N 118.72 0.691 . . . . 50.0 111.742 177.605 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -70.72 -37.71 73.53 Favored 'General case' 0 CA--C 1.554 1.124 0 N-CA-C 109.403 -0.591 . . . . 25.0 109.403 -179.795 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 7.3 tp60 -65.82 -44.71 84.76 Favored 'General case' 0 C--N 1.31 -1.134 0 N-CA-C 108.055 -1.091 . . . . 50.0 108.055 179.513 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 19.7 mt -58.61 -27.71 64.92 Favored 'General case' 0 C--O 1.201 -1.457 0 N-CA-C 113.834 1.049 . . . . 25.0 113.834 177.629 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -67.81 -40.26 83.88 Favored 'General case' 0 CA--C 1.542 0.658 0 N-CA-C 108.975 -0.75 . . . . 25.0 108.975 178.628 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 -70.94 -34.4 71.45 Favored 'General case' 0 CA--C 1.494 -1.183 0 C-N-CA 123.473 0.709 . . . . 25.0 111.041 178.468 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 83.7 t -67.75 -40.52 83.98 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 CA-C-N 115.603 -0.726 . . . . 50.0 110.427 177.762 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.11 -42.67 91.08 Favored 'General case' 0 CA--C 1.473 -1.999 0 CA-C-O 121.216 0.532 . . . . 50.0 110.495 174.658 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 75.7 mt -67.93 -35.8 79.05 Favored 'General case' 0 C--O 1.217 -0.643 0 C-N-CA 119.515 -0.874 . . . . 25.0 111.602 178.796 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.17 -36.4 81.76 Favored 'General case' 0 N--CA 1.481 1.109 0 N-CA-C 108.447 -0.946 . . . . 25.0 108.447 176.616 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -74.52 -37.1 63.18 Favored 'General case' 0 C--O 1.211 -0.922 0 O-C-N 121.251 -0.906 . . . . 50.0 111.157 -179.714 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -64.66 -46.88 80.59 Favored 'General case' 0 C--O 1.198 -1.625 0 CA-C-O 121.035 0.445 . . . . 50.0 110.406 176.769 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.62 -32.43 74.01 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 118.283 -1.367 . . . . 50.0 113.193 -178.41 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -66.31 -27.79 68.18 Favored 'General case' 0 CA--C 1.547 0.855 0 CA-C-O 121.366 0.603 . . . . 25.0 111.056 176.98 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -80.91 -35.19 32.76 Favored 'General case' 0 CA--C 1.555 1.148 0 O-C-N 120.929 -1.107 . . . . 25.0 110.39 174.985 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 59.8 mt -79.68 -38.5 33.43 Favored 'General case' 0 C--O 1.208 -1.089 0 CA-C-O 117.501 -1.237 . . . . 50.0 113.185 -174.08 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 44.18 49.64 7.65 Favored 'General case' 0 C--O 1.221 -0.398 0 CA-C-O 122.498 1.142 . . . . 25.0 112.055 -177.667 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 51.4 mttm -128.61 38.5 3.95 Favored 'General case' 0 C--O 1.256 1.398 0 CA-C-N 114.187 -1.37 . . . . 50.0 113.074 -179.79 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -84.77 74.65 10.43 Favored 'General case' 0 C--N 1.365 1.263 0 N-CA-C 107.102 -1.444 . . . . 50.0 107.102 177.637 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 . . . . . 0 C--O 1.217 -0.622 0 CA-C-O 127.043 3.306 . . . . 25.0 110.398 -172.893 . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.5 ptp . . . . . 0 N--CA 1.502 2.14 0 N-CA-C 116.732 2.123 . . . . 25.0 116.732 . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -71.07 -12.13 61.34 Favored 'General case' 0 C--N 1.369 1.42 0 CA-C-N 113.76 -1.564 . . . . 25.0 112.065 -176.986 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 65.1 mt-30 -61.8 127.25 30.54 Favored 'General case' 0 C--O 1.213 -0.852 0 N-CA-C 112.059 0.392 . . . . 25.0 112.059 -178.502 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 62.7 mttp -67.3 -32.75 73.95 Favored 'General case' 0 C--O 1.2 -1.531 0 N-CA-C 114.022 1.119 . . . . 25.0 114.022 176.076 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 28.2 tt0 -66.12 -28.98 69.21 Favored 'General case' 0 N--CA 1.439 -0.98 0 CA-C-O 119.248 -0.406 . . . . 25.0 111.325 -172.737 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 19.0 mm100 -61.2 -36.85 81.0 Favored 'General case' 0 C--O 1.211 -0.965 0 CA-C-O 118.72 -0.657 . . . . 50.0 112.209 175.077 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 35.4 mt -69.63 -46.02 76.38 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.9 0 C-N-CA 123.26 0.624 . . . . 50.0 109.91 176.32 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 73.6 mtp -65.88 -31.43 72.37 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.06 -0.973 . . . . 50.0 111.61 -177.29 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.87 -38.39 88.69 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.066 -0.716 . . . . 25.0 109.066 175.654 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.86 -44.67 72.87 Favored 'General case' 0 CA--C 1.532 0.256 0 O-C-N 121.109 -0.994 . . . . 25.0 108.51 -178.647 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 80.0 mt -63.21 -36.91 85.2 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-O 118.444 -0.789 . . . . 50.0 110.069 179.024 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -54.09 -40.18 67.01 Favored 'General case' 0 C--N 1.312 -1.045 0 CA-C-O 121.941 0.877 . . . . 50.0 111.416 172.878 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 14.8 m -75.14 -44.88 44.49 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 119.021 -1.072 . . . . 25.0 108.771 -176.566 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -67.25 -37.83 84.15 Favored 'General case' 0 C--O 1.196 -1.741 0 N-CA-C 112.927 0.714 . . . . 50.0 112.927 -173.941 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 75.3 p -106.0 11.65 31.36 Favored 'General case' 0 CA--C 1.502 -0.884 0 N-CA-C 116.225 1.935 . . . . 25.0 116.225 -175.337 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -49.84 -70.51 0.09 Allowed 'General case' 0 CA--C 1.552 1.031 0 N-CA-C 114.316 1.228 . . . . 25.0 114.316 178.601 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 4.5 p -71.58 -26.92 27.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-O 123.31 1.529 . . . . 50.0 110.442 -174.861 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 40.8 tt0 -62.23 -48.97 77.6 Favored 'General case' 0 CA--C 1.557 1.239 0 CA-C-N 113.888 -1.505 . . . . 50.0 107.072 -176.149 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 12.0 m-30 -81.75 -22.71 37.1 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 120.687 -1.258 . . . . 50.0 112.022 -179.239 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -61.76 -27.83 69.01 Favored 'General case' 0 CA--C 1.569 1.689 0 CA-C-O 122.021 0.915 . . . . 50.0 113.435 -177.903 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -58.91 -41.61 87.67 Favored 'General case' 0 C--O 1.259 1.561 0 O-C-N 120.187 -1.57 . . . . 50.0 112.162 177.072 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 72.0 t80 -74.68 -35.17 62.78 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 123.775 0.83 . . . . 50.0 112.994 173.665 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.02 -40.87 97.3 Favored 'General case' 0 C--O 1.213 -0.829 0 C-N-CA 120.774 -0.37 . . . . 25.0 110.024 -179.342 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -73.25 -25.03 60.55 Favored 'General case' 0 N--CA 1.48 1.064 0 O-C-N 124.315 1.009 . . . . 25.0 111.693 -179.66 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 66.4 tt0 -71.05 -25.94 62.87 Favored 'General case' 0 CA--C 1.564 1.518 0 O-C-N 123.744 0.652 . . . . 50.0 110.044 175.232 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 11.5 mm100 -96.46 -46.58 6.31 Favored 'General case' 0 C--N 1.313 -0.995 0 O-C-N 124.1 0.875 . . . . 50.0 112.9 -178.956 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 30.3 m-85 -120.64 70.94 18.33 Favored Pre-proline 0 CA--C 1.562 1.409 0 CA-C-O 121.392 0.615 . . . . 50.0 112.049 179.611 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -67.54 137.29 42.25 Favored 'Trans proline' 0 C--O 1.199 -1.462 0 O-C-N 119.222 -0.988 . . . . 50.0 114.375 -177.662 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 76.86 -13.73 8.38 Favored Glycine 0 CA--C 1.565 3.208 0 N-CA-C 115.94 1.136 . . . . 25.0 115.94 -176.032 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 11.8 m120 -99.53 84.83 3.03 Favored 'General case' 0 C--N 1.309 -1.19 0 O-C-N 120.644 -1.504 . . . . 50.0 109.661 -177.552 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 55.3 t80 -51.88 -48.77 63.93 Favored 'General case' 0 N--CA 1.489 1.476 0 N-CA-C 114.084 1.142 . . . . 50.0 114.084 174.297 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -61.26 -40.94 95.96 Favored 'General case' 0 C--O 1.204 -1.309 0 C-N-CA 118.408 -1.317 . . . . 50.0 112.774 -177.831 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 -69.43 -35.89 76.12 Favored 'General case' 0 C--N 1.318 -0.761 0 O-C-N 121.66 -0.65 . . . . 50.0 110.933 -178.893 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 67.8 mt-30 -60.15 -36.56 77.8 Favored 'General case' 0 CA--C 1.504 -0.815 0 CA-C-N 115.462 -0.79 . . . . 50.0 109.824 174.717 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 85.8 mm-40 -70.3 -40.3 74.34 Favored 'General case' 0 N--CA 1.487 1.399 0 N-CA-C 108.421 -0.955 . . . . 50.0 108.421 -177.306 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 84.4 mt -60.69 -42.37 91.73 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.709 0 C-N-CA 123.664 0.786 . . . . 50.0 109.044 -178.32 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 13.2 tp -67.7 -48.94 65.12 Favored 'General case' 0 C--O 1.21 -1.02 0 CA-C-N 115.29 -0.868 . . . . 50.0 110.543 -177.345 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 67.5 mt -53.76 -47.97 61.87 Favored 'Isoleucine or valine' 0 C--O 1.248 1.009 0 C-N-CA 123.484 0.713 . . . . 50.0 110.61 175.563 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 8.0 tmm_? -58.05 -40.67 81.52 Favored 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 119.836 -0.745 . . . . 50.0 110.618 175.9 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 38.5 tt0 -61.37 -46.44 90.17 Favored 'General case' 0 C--O 1.225 -0.227 0 O-C-N 119.562 -1.961 . . . . 25.0 112.901 176.127 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 47.4 mt -59.27 -42.51 91.37 Favored 'General case' 0 C--N 1.3 -1.549 0 N-CA-C 113.481 0.919 . . . . 50.0 113.481 178.721 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -65.4 -35.77 81.96 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.507 -0.77 . . . . 50.0 112.529 175.733 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 87.9 mt-10 -72.36 -33.93 67.62 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 118.813 -1.155 . . . . 25.0 109.802 -178.243 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 4.2 tp60 -66.7 -38.03 85.93 Favored 'General case' 0 CA--C 1.544 0.746 0 CA-C-O 121.824 0.821 . . . . 25.0 109.813 175.186 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 46.0 t-80 -67.86 -39.73 83.73 Favored 'General case' 0 C--O 1.21 -1.015 0 CA-C-O 122.154 0.978 . . . . 50.0 111.804 179.919 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 23.4 t80 -57.2 -31.21 65.22 Favored 'General case' 0 C--N 1.353 0.759 0 O-C-N 121.657 -0.652 . . . . 25.0 110.074 179.032 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -63.41 -44.88 93.39 Favored 'General case' 0 C--O 1.258 1.519 0 O-C-N 121.503 -0.748 . . . . 25.0 110.599 176.729 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -69.45 -32.0 70.66 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 109.131 -0.692 . . . . 50.0 109.131 178.912 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 24.8 t80 -64.69 -37.9 89.15 Favored 'General case' 0 C--O 1.256 1.43 0 CA-C-O 121.394 0.616 . . . . 50.0 111.39 176.114 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.75 -36.79 67.77 Favored 'General case' 0 CA--C 1.492 -1.26 0 CA-C-N 114.719 -1.128 . . . . 50.0 112.688 175.927 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.24 -46.11 81.91 Favored 'General case' 0 N--CA 1.471 0.605 0 O-C-N 124.494 1.121 . . . . 25.0 109.484 -177.968 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -60.77 -42.38 97.39 Favored 'General case' 0 C--N 1.32 -0.688 0 O-C-N 122.305 -0.247 . . . . 50.0 110.59 177.71 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 29.8 mt -63.19 -33.12 74.8 Favored 'General case' 0 N--CA 1.444 -0.735 0 N-CA-C 112.745 0.646 . . . . 25.0 112.745 178.592 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -63.0 -38.93 93.16 Favored 'General case' 0 C--N 1.322 -0.607 0 O-C-N 121.034 -1.041 . . . . 25.0 110.624 178.04 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 69.8 mt-30 -70.81 -32.06 69.01 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 119.834 -0.746 . . . . 25.0 109.623 176.419 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 41.9 t -73.08 -36.14 49.89 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.276 0 N-CA-C 107.09 -1.448 . . . . 50.0 107.09 -174.056 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 68.6 mt-30 -64.52 -47.31 79.35 Favored 'General case' 0 C--O 1.177 -2.717 0 CA-C-N 115.376 -0.829 . . . . 50.0 110.614 177.261 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 68.9 mt -63.19 -30.27 71.45 Favored 'General case' 0 C--N 1.293 -1.866 0 N-CA-C 113.264 0.838 . . . . 25.0 113.264 176.512 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.1 -42.8 99.67 Favored 'General case' 0 CA--C 1.5 -0.95 0 C-N-CA 120.485 -0.486 . . . . 25.0 110.233 173.412 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -69.18 -40.35 78.16 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 118.615 -1.234 . . . . 50.0 110.064 -179.801 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 43.8 mm-40 -59.2 -52.89 63.75 Favored 'General case' 0 N--CA 1.484 1.236 0 CA-C-O 121.407 0.622 . . . . 50.0 110.558 178.635 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -64.81 -27.84 69.16 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 115.105 1.52 . . . . 50.0 115.105 -176.718 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -71.99 -27.78 62.97 Favored 'General case' 0 C--N 1.307 -1.274 0 O-C-N 123.613 0.57 . . . . 25.0 110.517 176.461 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -76.84 -42.74 39.03 Favored 'General case' 0 C--O 1.218 -0.554 0 N-CA-C 108.272 -1.01 . . . . 25.0 108.272 174.796 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 47.5 mt -71.18 -32.08 68.43 Favored 'General case' 0 N--CA 1.48 1.074 0 N-CA-C 114.818 1.414 . . . . 50.0 114.818 -175.385 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 17.2 pt20 30.26 48.57 0.06 Allowed 'General case' 0 N--CA 1.492 1.672 0 C-N-CA 126.088 1.755 . . . . 25.0 113.725 -178.16 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -85.99 22.16 1.78 Allowed 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 114.267 -1.333 . . . . 50.0 112.726 -178.05 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -124.97 90.3 3.22 Favored 'General case' 0 C--O 1.208 -1.099 0 CA-C-O 123.055 1.407 . . . . 50.0 107.211 -179.558 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 47.2 tt0 . . . . . 0 C--O 1.187 -2.227 0 CA-C-O 125.315 2.483 . . . . 25.0 110.226 -178.688 . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.9 ptm . . . . . 0 N--CA 1.531 3.605 0 N-CA-C 115.912 1.819 . . . . 25.0 115.912 . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 68.2 mt-30 -126.03 33.78 4.99 Favored 'General case' 0 N--CA 1.482 1.129 0 O-C-N 119.908 -1.745 . . . . 25.0 112.428 -176.856 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 7.1 tp-100 -135.29 103.9 5.68 Favored 'General case' 0 CA--C 1.548 0.903 0 N-CA-C 113.237 0.828 . . . . 25.0 113.237 -175.006 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.14 -27.09 63.45 Favored 'General case' 0 N--CA 1.446 -0.631 0 N-CA-C 113.883 1.068 . . . . 25.0 113.883 -179.977 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -68.39 -27.32 66.11 Favored 'General case' 0 CA--C 1.505 -0.787 0 O-C-N 121.307 -0.871 . . . . 25.0 111.454 -177.952 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 -62.12 -40.35 95.61 Favored 'General case' 0 CA--C 1.559 1.314 0 N-CA-C 109.614 -0.513 . . . . 50.0 109.614 176.024 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 46.0 mt -73.87 -35.37 42.62 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.298 0 CA-C-N 115.863 -0.608 . . . . 50.0 110.379 -179.814 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 83.0 mtp -65.97 -35.35 80.34 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 119.897 -0.721 . . . . 50.0 111.673 176.98 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.26 -35.21 80.33 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 109.446 -0.576 . . . . 25.0 109.446 179.195 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.26 -49.31 64.83 Favored 'General case' 0 C--O 1.246 0.884 0 C-N-CA 120.631 -0.427 . . . . 25.0 110.146 177.086 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 94.8 mt -61.3 -30.27 70.38 Favored 'General case' 0 N--CA 1.481 1.107 0 N-CA-C 112.554 0.576 . . . . 50.0 112.554 178.693 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -64.0 -38.02 89.56 Favored 'General case' 0 CA--C 1.5 -0.951 0 N-CA-C 108.605 -0.887 . . . . 50.0 108.605 -177.677 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 15.4 t -69.08 -35.67 76.75 Favored 'General case' 0 C--O 1.223 -0.33 0 N-CA-C 111.905 0.335 . . . . 25.0 111.905 -177.661 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -72.13 -39.45 68.82 Favored 'General case' 0 C--O 1.217 -0.627 0 N-CA-C 113.363 0.875 . . . . 50.0 113.363 -178.484 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 76.5 p -109.24 11.33 25.46 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 115.527 1.677 . . . . 25.0 115.527 -170.802 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.47 -64.75 0.81 Allowed 'General case' 0 N--CA 1.478 0.972 0 O-C-N 121.52 -0.737 . . . . 25.0 111.42 -174.686 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 5.4 p -70.6 -24.32 25.16 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.831 0 O-C-N 121.579 -0.7 . . . . 50.0 110.07 -178.755 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 -64.15 -45.71 87.3 Favored 'General case' 0 C--N 1.317 -0.823 0 C-N-CA 122.876 0.47 . . . . 50.0 111.766 177.672 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 21.5 m-30 -83.84 -24.47 30.92 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 112.48 0.548 . . . . 50.0 112.48 177.553 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 46.4 tt0 -61.03 -42.57 98.72 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-O 121.329 0.585 . . . . 50.0 112.509 178.04 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 25.7 mm100 -70.69 -32.19 69.33 Favored 'General case' 0 N--CA 1.432 -1.367 0 O-C-N 121.586 -0.696 . . . . 50.0 112.599 179.045 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 37.3 t80 -71.93 -36.5 69.95 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 109.107 -0.701 . . . . 50.0 109.107 174.861 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.98 -34.15 77.76 Favored 'General case' 0 CA--C 1.497 -1.061 0 N-CA-C 108.582 -0.895 . . . . 25.0 108.582 -179.89 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.57 -26.75 68.0 Favored 'General case' 0 CA--C 1.544 0.744 0 CA-C-N 118.143 0.429 . . . . 25.0 112.07 -179.094 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -80.84 -14.39 58.08 Favored 'General case' 0 C--N 1.308 -1.209 0 N-CA-C 113.847 1.054 . . . . 50.0 113.847 178.782 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 50.7 mm-40 -103.56 -38.4 7.15 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-O 121.289 0.566 . . . . 50.0 110.542 -179.029 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 37.4 m-85 -129.08 70.54 81.69 Favored Pre-proline 0 C--O 1.247 0.949 0 CA-C-N 115.667 -0.697 . . . . 50.0 111.43 177.572 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -67.84 144.85 66.57 Favored 'Trans proline' 0 C--O 1.2 -1.386 0 C-N-CA 114.648 -3.101 . . . . 50.0 112.369 -176.641 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 82.06 -29.22 3.13 Favored Glycine 0 C--O 1.219 -0.79 0 N-CA-C 114.779 0.672 . . . . 25.0 114.779 -179.474 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -97.35 84.67 3.5 Favored 'General case' 0 CA--C 1.494 -1.192 0 O-C-N 122.074 -0.663 . . . . 50.0 111.887 -171.535 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 47.4 t80 -53.94 -44.29 70.54 Favored 'General case' 0 C--N 1.317 -0.844 0 O-C-N 124.343 1.027 . . . . 50.0 112.105 179.243 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -60.73 -43.31 98.04 Favored 'General case' 0 C--O 1.213 -0.858 0 C-N-CA 120.019 -0.672 . . . . 50.0 111.07 -179.61 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 30.6 mm100 -71.47 -36.57 71.22 Favored 'General case' 0 CA--C 1.507 -0.699 0 CA-C-O 122.183 0.992 . . . . 50.0 112.307 -179.399 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 60.1 mt-30 -56.99 -37.54 71.79 Favored 'General case' 0 N--CA 1.477 0.925 0 CA-C-O 122.099 0.952 . . . . 50.0 110.852 174.367 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 93.7 mm-40 -75.62 -37.36 59.81 Favored 'General case' 0 C--N 1.321 -0.671 0 O-C-N 121.617 -0.677 . . . . 50.0 112.552 -176.263 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 79.7 mt -60.13 -40.86 84.65 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.726 0 N-CA-C 107.404 -1.332 . . . . 50.0 107.404 175.752 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 18.2 tp -66.3 -46.88 75.42 Favored 'General case' 0 C--O 1.219 -0.523 0 CA-C-O 121.307 0.575 . . . . 50.0 112.438 -179.941 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 48.8 mt -58.47 -38.35 69.66 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 N-CA-C 108.499 -0.926 . . . . 50.0 108.499 179.148 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 5.7 tpt180 -55.2 -47.95 74.55 Favored 'General case' 0 C--O 1.244 0.793 0 CA-C-N 119.577 1.081 . . . . 50.0 110.274 177.271 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 49.7 tt0 -65.64 -43.42 89.5 Favored 'General case' 0 N--CA 1.476 0.825 0 CA-C-O 118.777 -0.63 . . . . 25.0 111.64 -179.768 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 56.5 mt -59.51 -41.59 90.27 Favored 'General case' 0 N--CA 1.48 1.041 0 N-CA-C 108.682 -0.859 . . . . 50.0 108.682 -176.251 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -69.46 -31.46 69.77 Favored 'General case' 0 C--O 1.254 1.319 0 O-C-N 121.841 -0.537 . . . . 50.0 110.556 -178.66 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -68.18 -39.26 82.57 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.314 -0.403 . . . . 25.0 110.589 178.734 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -73.89 -38.56 64.34 Favored 'General case' 0 CA--C 1.546 0.827 0 CA-C-N 116.043 -0.526 . . . . 25.0 112.085 177.511 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 41.9 t-80 -62.05 -31.68 72.12 Favored 'General case' 0 CA--C 1.554 1.101 0 N-CA-C 109.026 -0.731 . . . . 50.0 109.026 176.09 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 63.5 t80 -61.86 -35.96 79.84 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-N 118.089 0.404 . . . . 25.0 110.635 176.96 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 81.5 mt-30 -73.02 -37.51 66.89 Favored 'General case' 0 N--CA 1.48 1.061 0 O-C-N 121.568 -0.707 . . . . 25.0 111.083 -179.295 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -66.14 -39.95 90.23 Favored 'General case' 0 C--O 1.249 1.058 0 CA-C-O 121.595 0.712 . . . . 50.0 109.862 175.799 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 19.4 t80 -65.97 -43.21 88.54 Favored 'General case' 0 C--N 1.301 -1.515 0 CA-C-N 115.876 -0.602 . . . . 50.0 110.83 177.948 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.0 -42.32 99.82 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 108.707 -0.849 . . . . 50.0 108.707 179.8 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 65.3 tt0 -60.63 -44.03 96.83 Favored 'General case' 0 C--O 1.245 0.853 0 C-N-CA 118.486 -1.286 . . . . 25.0 111.749 -179.771 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 42.5 tt0 -63.07 -40.77 98.68 Favored 'General case' 0 C--O 1.218 -0.598 0 CA-C-N 118.642 0.656 . . . . 50.0 109.658 179.274 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 37.9 mt -65.78 -27.03 67.98 Favored 'General case' 0 C--O 1.21 -1.009 0 N-CA-C 112.862 0.69 . . . . 25.0 112.862 -177.985 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -68.19 -36.57 79.78 Favored 'General case' 0 N--CA 1.443 -0.807 0 CA-C-N 119.896 1.226 . . . . 25.0 108.565 174.844 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -72.9 -34.3 66.55 Favored 'General case' 0 CA--C 1.553 1.093 0 O-C-N 120.937 -1.102 . . . . 25.0 109.848 177.623 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 76.9 t -67.29 -40.81 85.67 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.593 0 N-CA-C 109.215 -0.661 . . . . 50.0 109.215 178.109 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 8.7 mm-40 -56.78 -46.59 81.42 Favored 'General case' 0 C--O 1.222 -0.354 0 O-C-N 121.228 -0.92 . . . . 50.0 109.967 177.314 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 75.2 mt -66.64 -30.68 71.01 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 120.458 -0.497 . . . . 25.0 111.315 -178.741 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -66.86 -32.68 74.12 Favored 'General case' 0 CA--C 1.546 0.797 0 O-C-N 121.495 -0.753 . . . . 25.0 110.189 175.592 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 62.7 mt-30 -78.0 -31.41 50.61 Favored 'General case' 0 C--N 1.309 -1.186 0 O-C-N 121.603 -0.686 . . . . 50.0 111.691 179.149 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -68.72 -40.23 80.04 Favored 'General case' 0 N--CA 1.443 -0.801 0 C-N-CA 120.475 -0.49 . . . . 50.0 111.446 175.751 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -70.61 -23.49 62.57 Favored 'General case' 0 CA--C 1.485 -1.531 0 C-N-CA 119.722 -0.791 . . . . 50.0 112.882 179.645 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -76.52 -17.01 59.49 Favored 'General case' 0 C--O 1.205 -1.256 0 CA-C-N 115.926 -0.579 . . . . 25.0 109.629 -179.142 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -94.11 -30.7 14.52 Favored 'General case' 0 N--CA 1.437 -1.107 0 O-C-N 123.983 0.802 . . . . 25.0 110.507 175.486 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 32.7 mt -76.05 -33.71 59.61 Favored 'General case' 0 CA--C 1.504 -0.804 0 C-N-CA 123.179 0.592 . . . . 50.0 110.298 -178.752 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 47.4 29.96 1.45 Allowed 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 114.355 1.243 . . . . 25.0 114.355 179.485 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 46.2 tttm 51.64 32.66 9.5 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 125.338 1.455 . . . . 50.0 113.348 -177.347 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 96.5 mm-40 -79.37 80.4 5.73 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 123.213 1.482 . . . . 50.0 109.979 178.751 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 46.6 tt0 . . . . . 0 C--O 1.214 -0.807 0 CA-C-O 125.002 2.334 . . . . 25.0 114.084 -177.174 . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.9 ttt . . . . . 0 CA--C 1.503 -0.836 0 CA-C-O 122.707 1.241 . . . . 25.0 113.067 . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -125.84 150.65 47.68 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 126.867 2.067 . . . . 25.0 114.882 -178.676 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 56.81 36.0 27.08 Favored 'General case' 0 C--O 1.203 -1.376 0 CA-C-O 122.98 1.371 . . . . 25.0 112.403 -177.434 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 17.8 pttm -78.6 -26.87 45.49 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-N 113.477 -1.692 . . . . 25.0 113.686 -179.341 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 9.4 tm0? -70.12 -30.27 67.42 Favored 'General case' 0 N--CA 1.429 -1.514 0 CA-C-O 118.635 -0.698 . . . . 25.0 111.725 -178.994 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -59.22 -40.21 85.12 Favored 'General case' 0 N--CA 1.481 1.092 0 CA-C-O 121.807 0.813 . . . . 50.0 112.498 175.964 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 16.9 mt -66.8 -38.41 81.44 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.166 0 N-CA-C 109.123 -0.695 . . . . 50.0 109.123 177.685 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 73.8 mtp -66.01 -37.56 86.22 Favored 'General case' 0 C--O 1.212 -0.894 0 O-C-N 121.076 -1.015 . . . . 50.0 111.63 -178.678 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.87 -42.49 99.13 Favored 'General case' 0 CA--C 1.563 1.47 0 CA-C-N 115.938 -0.574 . . . . 25.0 109.539 178.215 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.8 -49.02 76.6 Favored 'General case' 0 C--O 1.255 1.352 0 N-CA-C 113.11 0.782 . . . . 25.0 113.11 176.482 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 86.2 mt -62.28 -36.19 81.33 Favored 'General case' 0 C--N 1.351 0.648 0 O-C-N 121.723 -0.61 . . . . 50.0 109.363 179.665 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 -70.37 -31.39 68.63 Favored 'General case' 0 C--O 1.203 -1.389 0 CA-C-O 122.497 1.142 . . . . 50.0 109.171 -174.541 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 51.1 m -68.42 -45.83 71.55 Favored 'General case' 0 CA--C 1.554 1.105 0 CA-C-N 115.131 -0.941 . . . . 25.0 109.974 -176.303 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -76.67 -9.4 58.64 Favored 'General case' 0 C--O 1.217 -0.625 0 N-CA-C 115.647 1.721 . . . . 50.0 115.647 -176.288 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 74.1 p -120.03 9.27 11.16 Favored 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 113.451 0.908 . . . . 25.0 113.451 176.766 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.66 -62.57 1.7 Allowed 'General case' 0 C--N 1.316 -0.885 0 CA-C-O 121.152 0.501 . . . . 25.0 112.093 -176.667 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 5.1 p -68.94 -36.39 73.76 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.071 0 CA-C-N 116.093 -0.503 . . . . 50.0 110.944 179.539 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -62.53 -44.99 94.99 Favored 'General case' 0 CA--C 1.516 -0.357 0 N-CA-C 109.188 -0.671 . . . . 50.0 109.188 -176.612 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 12.8 m-30 -76.97 -27.68 54.86 Favored 'General case' 0 C--O 1.195 -1.804 0 N-CA-C 109.016 -0.735 . . . . 50.0 109.016 -178.661 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 44.6 tt0 -60.64 -42.33 96.72 Favored 'General case' 0 C--O 1.245 0.841 0 O-C-N 121.14 -0.975 . . . . 50.0 109.004 176.509 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 33.4 mm-40 -61.12 -42.45 98.55 Favored 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 110.52 -0.178 . . . . 50.0 110.52 -179.788 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 78.8 t80 -69.91 -32.19 70.36 Favored 'General case' 0 N--CA 1.481 1.086 0 N-CA-C 115.012 1.486 . . . . 50.0 115.012 173.395 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.89 -30.88 65.85 Favored 'General case' 0 CA--C 1.547 0.856 0 O-C-N 120.342 -1.474 . . . . 25.0 108.66 -176.386 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.98 -21.41 63.24 Favored 'General case' 0 C--O 1.217 -0.645 0 C-N-CA 123.488 0.715 . . . . 25.0 110.544 176.299 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 40.5 tt0 -85.37 -10.23 56.57 Favored 'General case' 0 C--N 1.313 -0.998 0 CA-C-O 121.843 0.83 . . . . 50.0 108.999 -177.045 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 34.3 mm-40 -106.51 -47.13 3.84 Favored 'General case' 0 C--O 1.239 0.513 0 CA-C-N 115.203 -0.908 . . . . 50.0 110.23 177.587 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 31.5 m-85 -120.38 72.95 20.57 Favored Pre-proline 0 CA--C 1.557 1.237 0 CA-C-O 120.731 0.301 . . . . 50.0 110.497 179.902 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_endo -65.98 146.48 82.66 Favored 'Trans proline' 0 C--N 1.368 1.568 0 C-N-CA 115.393 -2.604 . . . . 50.0 111.522 -178.854 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 74.07 6.89 75.33 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 116.4 1.32 . . . . 25.0 116.4 174.037 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -131.33 77.53 1.78 Allowed 'General case' 0 N--CA 1.444 -0.773 0 CA-C-N 115.01 -0.595 . . . . 50.0 109.457 -177.585 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -54.2 -42.83 70.17 Favored 'General case' 0 CA--C 1.557 1.225 0 N-CA-C 108.621 -0.881 . . . . 50.0 108.621 178.28 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -56.25 -47.43 78.54 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.028 -1.045 . . . . 50.0 111.784 -179.532 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 27.8 mm100 -70.66 -33.4 70.9 Favored 'General case' 0 N--CA 1.439 -0.99 0 N-CA-C 113.597 0.962 . . . . 50.0 113.597 178.208 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -57.98 -37.82 74.93 Favored 'General case' 0 C--O 1.259 1.596 0 C-N-CA 120.121 -0.631 . . . . 50.0 110.617 174.018 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 59.3 mm-40 -70.22 -31.79 69.38 Favored 'General case' 0 N--CA 1.485 1.316 0 CA-C-O 123.817 1.77 . . . . 50.0 111.17 -172.893 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 85.5 mt -68.91 -41.9 82.19 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.99 0 CA-C-N 114.025 -1.443 . . . . 50.0 108.756 -179.34 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 33.0 tp -64.92 -46.2 82.65 Favored 'General case' 0 C--N 1.308 -1.213 0 CA-C-N 114.592 -1.186 . . . . 50.0 112.817 -177.877 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 67.6 mt -58.26 -31.27 41.95 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.917 0 CA-C-N 115.733 -0.667 . . . . 50.0 110.409 173.835 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 11.9 ttp85 -59.95 -42.45 94.09 Favored 'General case' 0 N--CA 1.434 -1.24 0 C-N-CA 118.483 -1.287 . . . . 50.0 110.639 -179.747 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 64.4 tp60 -77.01 -38.51 52.88 Favored 'General case' 0 C--O 1.242 0.684 0 CA-C-O 121.397 0.617 . . . . 25.0 110.794 -176.402 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 71.2 mt -53.91 -43.42 69.69 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 122.987 1.375 . . . . 50.0 110.156 177.978 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -68.56 -39.92 80.82 Favored 'General case' 0 C--O 1.275 2.422 0 O-C-N 121.415 -0.803 . . . . 50.0 111.282 -178.031 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -59.87 -44.01 94.4 Favored 'General case' 0 N--CA 1.489 1.477 0 CA-C-O 121.57 0.7 . . . . 25.0 111.577 176.525 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -68.12 -38.2 81.99 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 121.364 -0.835 . . . . 25.0 110.964 177.863 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 10.5 t60 -63.4 -34.38 77.6 Favored 'General case' 0 N--CA 1.44 -0.927 0 C-N-CA 119.718 -0.793 . . . . 50.0 111.433 175.18 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 10.4 t80 -59.2 -37.35 77.22 Favored 'General case' 0 C--O 1.218 -0.566 0 O-C-N 120.885 -1.135 . . . . 25.0 112.853 176.957 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -67.67 -40.41 84.43 Favored 'General case' 0 C--O 1.254 1.297 0 N-CA-C 108.656 -0.868 . . . . 25.0 108.656 179.454 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -65.72 -40.89 92.66 Favored 'General case' 0 N--CA 1.481 1.103 0 CA-C-O 122.28 1.038 . . . . 50.0 109.008 -179.403 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 34.2 t80 -67.58 -43.05 81.48 Favored 'General case' 0 C--N 1.3 -1.56 0 N-CA-C 107.923 -1.14 . . . . 50.0 107.923 -178.168 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.39 -36.33 75.61 Favored 'General case' 0 CA--C 1.487 -1.443 0 N-CA-C 113.535 0.939 . . . . 50.0 113.535 176.267 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 43.1 tt0 -65.56 -48.47 72.28 Favored 'General case' 0 CA--C 1.551 0.983 0 O-C-N 124.635 1.209 . . . . 25.0 110.73 177.116 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 66.8 tp60 -57.31 -48.75 78.14 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-O 122.392 1.092 . . . . 50.0 110.917 -179.892 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 46.0 mt -59.47 -29.97 68.2 Favored 'General case' 0 C--O 1.203 -1.385 0 CA-C-N 115.09 -0.959 . . . . 25.0 110.131 -178.255 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -68.66 -38.61 80.55 Favored 'General case' 0 N--CA 1.467 0.408 0 O-C-N 120.781 -1.199 . . . . 25.0 109.754 177.655 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -67.31 -38.77 85.48 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-O 122.106 0.955 . . . . 25.0 112.704 175.802 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 92.8 t -66.95 -40.32 85.4 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.289 0 O-C-N 121.022 -1.049 . . . . 50.0 109.552 177.493 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 14.0 mm-40 -55.34 -46.86 76.37 Favored 'General case' 0 CA--C 1.501 -0.928 0 O-C-N 121.903 -0.498 . . . . 50.0 110.67 176.31 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 65.9 mt -63.93 -36.23 83.27 Favored 'General case' 0 C--N 1.304 -1.396 0 CA-C-O 122.17 0.986 . . . . 25.0 111.378 178.995 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.01 -39.61 95.27 Favored 'General case' 0 C--O 1.239 0.551 0 CA-C-N 115.005 -0.998 . . . . 25.0 111.707 -179.694 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 57.4 mt-30 -75.95 -31.03 58.87 Favored 'General case' 0 N--CA 1.436 -1.16 0 CA-C-N 115.203 -0.908 . . . . 50.0 112.985 176.435 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 13.4 mm-40 -64.6 -46.6 81.95 Favored 'General case' 0 N--CA 1.48 1.062 0 CA-C-N 115.893 -0.594 . . . . 50.0 111.698 175.972 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -67.94 -28.54 67.57 Favored 'General case' 0 C--N 1.319 -0.727 0 C-N-CA 119.684 -0.806 . . . . 50.0 111.199 179.779 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.33 -32.78 72.1 Favored 'General case' 0 N--CA 1.422 -1.853 0 CA-C-O 121.081 0.467 . . . . 25.0 111.917 177.649 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -77.42 -34.99 54.53 Favored 'General case' 0 CA--C 1.499 -0.99 0 CA-C-N 115.422 -0.808 . . . . 25.0 110.061 178.136 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 43.9 mt -69.03 -44.31 72.95 Favored 'General case' 0 C--O 1.266 1.963 0 O-C-N 122.042 -0.411 . . . . 50.0 111.806 -177.64 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 34.47 50.13 0.38 Allowed 'General case' 0 N--CA 1.499 1.981 0 O-C-N 124.501 1.126 . . . . 25.0 109.561 -174.655 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 8.1 ttmt -117.93 17.33 14.2 Favored 'General case' 0 CA--C 1.548 0.883 0 N-CA-C 114.469 1.285 . . . . 50.0 114.469 -176.096 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -85.84 90.58 8.09 Favored 'General case' 0 C--O 1.201 -1.48 0 N-CA-C 104.921 -2.252 . . . . 50.0 104.921 178.741 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 24.0 pt20 . . . . . 0 N--CA 1.516 2.826 0 N-CA-C 116.922 2.193 . . . . 25.0 116.922 176.647 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 72.6 mmtt . . . . . 0 N--CA 1.469 0.522 0 N-CA-C 116.129 1.9 . . . . 25.0 116.129 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 23.1 pt20 -67.47 -22.26 65.48 Favored 'General case' 0 N--CA 1.468 0.438 0 N-CA-C 114.117 1.154 . . . . 25.0 114.117 -174.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 16.6 mm-40 -61.87 -37.12 83.37 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 121.544 0.688 . . . . 25.0 109.906 177.65 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 16.4 mt -67.61 -37.44 78.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.403 -0.817 . . . . 25.0 108.867 -178.608 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 69.7 mtp -65.81 -36.96 84.98 Favored 'General case' 0 C--O 1.223 -0.339 0 O-C-N 122.091 -0.381 . . . . 25.0 111.111 178.392 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.45 -40.81 85.39 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.229 0.538 . . . . 25.0 110.044 178.688 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.1 -46.03 82.75 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.161 0.505 . . . . 25.0 110.312 178.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 57.2 mt -63.15 -33.08 74.69 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.853 -0.612 . . . . 25.0 110.686 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -57.95 -51.08 71.12 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 110.199 -0.297 . . . . 25.0 110.199 178.137 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 19.8 m -65.3 -36.99 85.76 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 112.307 0.484 . . . . 25.0 112.307 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 20.5 mm-40 -71.39 -28.26 63.9 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.986 0.735 . . . . 25.0 112.986 -177.156 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 74.5 p -112.13 5.75 18.74 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 113.149 0.796 . . . . 25.0 113.149 -175.039 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.35 -68.64 0.16 Allowed 'General case' 0 CA--C 1.533 0.315 0 N-CA-C 113.67 0.989 . . . . 25.0 113.67 -174.528 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.9 p -70.7 -27.31 30.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 C-N-CA 120.128 -0.629 . . . . 25.0 110.619 -177.569 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 37.0 tt0 -59.76 -47.81 84.18 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 120.973 0.416 . . . . 25.0 110.339 179.353 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 16.5 m-30 -81.99 -24.69 35.31 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.477 -0.328 . . . . 25.0 111.078 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.522 ' HA ' HD11 ' A' ' 38' ' ' ILE . 46.6 tt0 -62.47 -41.22 98.62 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 122.056 -0.402 . . . . 25.0 111.077 178.35 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -62.89 -39.9 95.92 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.853 -0.425 . . . . 25.0 109.853 179.721 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 86.4 t80 -69.29 -43.26 74.2 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.039 0.447 . . . . 25.0 111.749 177.8 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.44 -36.91 81.7 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 122.117 -0.365 . . . . 25.0 111.253 -177.879 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.35 -26.07 67.11 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.542 -0.299 . . . . 25.0 111.619 179.37 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -76.65 -28.99 56.23 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.015 0.436 . . . . 25.0 110.077 178.439 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 30.1 mm100 -89.01 -44.42 10.41 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 113.06 0.763 . . . . 25.0 113.06 -176.279 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -122.47 67.12 27.37 Favored Pre-proline 0 C--O 1.241 0.654 0 CA-C-N 116.154 -0.476 . . . . 25.0 109.86 179.453 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -68.64 142.34 52.86 Favored 'Trans proline' 0 C--N 1.348 0.548 0 C-N-CA 115.761 -2.359 . . . . 25.0 111.677 -177.063 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 82.31 -15.77 27.07 Favored Glycine 0 C--O 1.223 -0.573 0 N-CA-C 114.905 0.722 . . . . 25.0 114.905 -178.623 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 8.4 m120 -109.34 84.18 1.88 Allowed 'General case' 0 CA--C 1.514 -0.441 0 CA-C-N 118.249 1.024 . . . . 25.0 109.92 -178.749 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 52.1 t80 -55.09 -42.28 72.64 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.648 -0.705 . . . . 25.0 110.979 178.569 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -57.71 -46.8 83.91 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 112.36 0.504 . . . . 25.0 112.36 179.225 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.433 ' HA ' HD12 ' A' ' 36' ' ' ILE . 80.9 mt-30 -72.56 -33.45 66.8 Favored 'General case' 0 CA--C 1.508 -0.667 0 O-C-N 122.128 -0.358 . . . . 25.0 111.241 -178.401 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 68.7 mt-30 -58.55 -38.17 77.27 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.201 -0.666 . . . . 25.0 109.201 175.824 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 95.6 mm-40 -71.63 -39.39 70.45 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-O 120.961 0.41 . . . . 25.0 111.06 -177.723 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.433 HD12 ' HA ' ' A' ' 33' ' ' GLN . 72.9 mt -63.13 -42.34 96.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 109.337 -0.616 . . . . 25.0 109.337 178.584 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 47.3 tp -63.04 -49.66 73.69 Favored 'General case' 0 C--O 1.22 -0.478 0 CA-C-N 116.486 -0.324 . . . . 25.0 110.79 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.522 HD11 ' HA ' ' A' ' 20' ' ' GLN . 61.4 mt -56.59 -39.78 64.74 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 CA-C-O 120.641 0.257 . . . . 25.0 110.803 179.079 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 70.4 ttt180 -57.12 -43.71 82.59 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.571 0.224 . . . . 25.0 110.99 178.533 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 47.5 tt0 -73.34 -34.64 65.76 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 111.637 0.236 . . . . 25.0 111.637 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 98.3 mt -62.34 -39.47 93.2 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 109.177 -0.675 . . . . 25.0 109.177 179.085 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -68.06 -36.26 79.57 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.517 -0.311 . . . . 25.0 111.214 179.355 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -68.9 -40.8 78.93 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.046 0.451 . . . . 25.0 110.343 179.323 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -68.86 -37.31 79.0 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 121.715 -0.615 . . . . 25.0 109.647 178.783 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 66.0 t-80 -62.16 -32.99 73.66 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 121.857 -0.527 . . . . 25.0 109.929 175.699 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 20.9 t80 -63.4 -34.49 77.84 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 121.69 -0.632 . . . . 25.0 111.099 178.825 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -65.8 -43.18 89.48 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.035 -0.728 . . . . 25.0 109.035 178.487 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 41.7 tt0 -64.35 -41.18 96.89 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.197 -0.456 . . . . 25.0 109.787 178.183 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 22.4 t80 -60.26 -39.73 87.84 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.132 0.491 . . . . 25.0 110.49 179.424 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.327 -0.403 0 O-C-N 121.868 -0.52 . . . . 25.0 111.654 179.057 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 25.5 pttm . . . . . 0 N--CA 1.48 1.07 0 N-CA-C 114.712 1.375 . . . . 25.0 114.712 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -69.93 -26.93 64.37 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 113.307 0.854 . . . . 25.0 113.307 -176.205 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 16.5 mm100 -62.62 -40.45 97.0 Favored 'General case' 0 N--CA 1.471 0.625 0 CA-C-O 121.409 0.623 . . . . 25.0 109.599 177.635 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 39.4 mt -68.41 -43.03 84.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 114.515 -1.22 . . . . 25.0 108.308 -176.536 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 75.3 mtp -63.07 -39.81 95.82 Favored 'General case' 0 C--O 1.215 -0.719 0 CA-C-N 116.305 -0.407 . . . . 25.0 110.801 177.61 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.99 -40.01 96.46 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 121.717 -0.615 . . . . 25.0 110.545 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.8 -44.1 82.15 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-O 120.985 0.421 . . . . 25.0 111.274 178.502 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 63.9 mt -64.13 -39.79 94.8 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.795 0.331 . . . . 25.0 110.364 178.712 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 66.9 m-20 -63.94 -36.21 83.22 Favored 'General case' 0 C--O 1.21 -0.986 0 N-CA-C 109.78 -0.452 . . . . 25.0 109.78 179.503 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 22.4 t -65.72 -34.68 78.76 Favored 'General case' 0 N--CA 1.469 0.512 0 O-C-N 121.728 -0.607 . . . . 25.0 111.287 179.467 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 69.0 mt-30 -73.51 -25.66 60.53 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-O 120.788 0.327 . . . . 25.0 111.782 -178.715 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 60.3 p -112.78 -3.64 14.16 Favored 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 113.723 1.009 . . . . 25.0 113.723 -172.209 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -49.46 -61.56 2.03 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 113.321 0.86 . . . . 25.0 113.321 -174.554 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.7 p -75.52 -28.99 20.39 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.577 0 CA-C-O 120.886 0.374 . . . . 25.0 111.515 -178.212 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 27.1 tt0 -64.06 -47.99 77.98 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-O 121.394 0.616 . . . . 25.0 110.751 -178.082 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 19.5 m-30 -74.59 -24.09 58.83 Favored 'General case' 0 C--O 1.215 -0.761 0 CA-C-N 116.216 -0.447 . . . . 25.0 110.255 178.845 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.416 ' HA ' HD11 ' A' ' 38' ' ' ILE . 19.7 tt0 -63.42 -40.11 96.29 Favored 'General case' 0 C--N 1.323 -0.582 0 O-C-N 121.818 -0.551 . . . . 25.0 111.622 178.541 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -64.86 -41.48 95.64 Favored 'General case' 0 C--O 1.218 -0.566 0 C-N-CA 120.468 -0.493 . . . . 25.0 110.218 179.008 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 62.3 t80 -65.56 -41.91 92.44 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.367 0.603 . . . . 25.0 110.554 177.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.414 ' HA ' HD23 ' A' ' 37' ' ' LEU . . . -64.75 -37.69 88.44 Favored 'General case' 0 C--N 1.317 -0.814 0 O-C-N 121.859 -0.526 . . . . 25.0 110.717 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.83 -30.33 69.71 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.794 -0.447 . . . . 25.0 109.794 179.66 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -71.49 -28.6 64.03 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.288 0.566 . . . . 25.0 110.993 179.284 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -91.96 -45.21 8.46 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.541 -0.754 . . . . 25.0 112.489 -176.175 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -122.73 67.13 29.54 Favored Pre-proline 0 C--N 1.326 -0.419 0 CA-C-N 116.191 -0.458 . . . . 25.0 111.035 179.575 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -68.08 142.34 55.86 Favored 'Trans proline' 0 C--N 1.35 0.61 0 C-N-CA 116.21 -2.06 . . . . 25.0 112.32 -178.441 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 82.11 -12.24 44.84 Favored Glycine 0 C--O 1.228 -0.249 0 N-CA-C 114.952 0.741 . . . . 25.0 114.952 -179.454 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -112.73 85.9 2.26 Favored 'General case' 0 N--CA 1.466 0.346 0 O-C-N 121.493 -1.004 . . . . 25.0 111.167 -178.374 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 24.6 t80 -54.34 -43.33 71.14 Favored 'General case' 0 C--O 1.217 -0.652 0 N-CA-C 111.903 0.334 . . . . 25.0 111.903 179.469 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 19.8 pt-20 -63.27 -43.12 98.87 Favored 'General case' 0 C--O 1.216 -0.675 0 N-CA-C 113.119 0.785 . . . . 25.0 113.119 -178.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.41 ' HA ' HD12 ' A' ' 36' ' ' ILE . 86.1 mm-40 -69.15 -36.19 77.15 Favored 'General case' 0 CA--C 1.509 -0.62 0 CA-C-O 121.365 0.602 . . . . 25.0 110.281 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -59.02 -36.67 75.36 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.082 -0.71 . . . . 25.0 109.082 175.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 93.0 mm-40 -75.04 -36.01 61.87 Favored 'General case' 0 N--CA 1.47 0.532 0 O-C-N 121.946 -0.472 . . . . 25.0 110.881 -177.133 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.41 HD12 ' HA ' ' A' ' 33' ' ' GLN . 86.0 mt -60.99 -45.24 98.91 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 N-CA-C 108.665 -0.865 . . . . 25.0 108.665 178.187 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.414 HD23 ' HA ' ' A' ' 23' ' ' ALA . 38.7 tp -62.13 -51.01 69.6 Favored 'General case' 0 C--O 1.22 -0.458 0 CA-C-N 116.583 -0.28 . . . . 25.0 111.404 179.78 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.416 HD11 ' HA ' ' A' ' 20' ' ' GLN . 71.4 mt -56.26 -42.79 74.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 N-CA-C 112.285 0.476 . . . . 25.0 112.285 -179.835 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 94.8 mtm-85 -62.52 -38.98 92.07 Favored 'General case' 0 N--CA 1.474 0.751 0 O-C-N 121.541 -0.725 . . . . 25.0 110.88 179.43 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 36.7 tp60 -64.48 -39.77 94.42 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.805 0.336 . . . . 25.0 110.181 179.543 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 82.9 mt -64.78 -42.05 95.38 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-O 121.459 0.647 . . . . 25.0 110.849 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -68.73 -35.19 76.81 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 115.787 -0.642 . . . . 25.0 111.385 -176.221 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -64.08 -43.0 96.75 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.256 0.55 . . . . 25.0 110.342 177.132 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 63.0 tp60 -69.56 -35.88 75.8 Favored 'General case' 0 CA--C 1.542 0.648 0 O-C-N 121.755 -0.59 . . . . 25.0 111.357 178.511 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 29.0 t-80 -63.77 -33.93 76.77 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.135 0.493 . . . . 25.0 110.771 177.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 32.6 t80 -61.32 -35.17 76.65 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.383 -0.371 . . . . 25.0 111.428 178.622 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -61.1 -39.61 90.61 Favored 'General case' 0 C--N 1.322 -0.618 0 O-C-N 122.247 -0.283 . . . . 25.0 111.742 178.45 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 66.3 tt0 -63.47 -42.57 98.58 Favored 'General case' 0 N--CA 1.456 -0.135 0 N-CA-C 110.013 -0.365 . . . . 25.0 110.013 179.287 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 33.0 t80 -64.04 -39.86 95.02 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-O 120.682 0.277 . . . . 25.0 111.54 178.9 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.457 0 C-N-CA 121.113 -0.235 . . . . 25.0 111.085 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 19.1 pttp . . . . . 0 C--O 1.215 -0.76 0 N-CA-C 115.797 1.777 . . . . 25.0 115.797 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -61.16 -28.56 69.21 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 112.893 0.701 . . . . 25.0 112.893 179.67 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -65.76 -42.78 90.47 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 121.666 0.746 . . . . 25.0 109.693 177.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 30.4 mt -69.18 -40.56 80.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 N-CA-C 108.306 -0.998 . . . . 25.0 108.306 -177.853 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 74.5 mtp -61.92 -42.23 98.86 Favored 'General case' 0 C--O 1.212 -0.88 0 CA-C-N 116.593 -0.276 . . . . 25.0 110.448 178.154 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.31 -39.65 91.27 Favored 'General case' 0 CA--C 1.537 0.473 0 O-C-N 121.81 -0.556 . . . . 25.0 111.073 179.308 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.71 -46.5 78.73 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 110.322 -0.251 . . . . 25.0 110.322 179.217 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 82.1 mt -63.16 -40.96 99.07 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 120.868 0.366 . . . . 25.0 111.081 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 62.0 m-20 -60.91 -34.25 74.39 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.085 -0.507 . . . . 25.0 110.859 -178.572 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 32.3 m -69.07 -30.01 68.25 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 111.854 0.316 . . . . 25.0 111.854 -179.468 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 94.7 mm-40 -75.78 -38.46 58.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.242 0.544 . . . . 25.0 111.194 -178.423 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 68.5 p -98.52 -3.6 36.14 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 114.283 1.216 . . . . 25.0 114.283 -172.853 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -41.01 -68.58 0.17 Allowed 'General case' 0 N--CA 1.468 0.471 0 N-CA-C 115.712 1.745 . . . . 25.0 115.712 -172.253 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 10.0 p -71.24 -29.53 36.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 C-N-CA 120.76 -0.376 . . . . 25.0 111.813 -174.786 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 8.0 tm0? -68.21 -43.13 78.72 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.493 0.663 . . . . 25.0 109.683 -178.788 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 10.9 m-30 -70.67 -29.62 66.01 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.041 -0.527 . . . . 25.0 109.582 177.263 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.49 ' HA ' HD11 ' A' ' 38' ' ' ILE . 47.3 tt0 -65.7 -37.74 87.3 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 122.178 -0.326 . . . . 25.0 111.106 177.158 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 87.4 mt-30 -64.25 -41.21 97.07 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 110.013 -0.365 . . . . 25.0 110.013 177.755 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 72.4 t80 -65.75 -43.95 87.41 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.068 0.461 . . . . 25.0 110.482 176.274 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.93 -38.21 87.58 Favored 'General case' 0 C--N 1.323 -0.584 0 O-C-N 121.989 -0.444 . . . . 25.0 111.283 -178.379 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.2 -23.31 62.93 Favored 'General case' 0 C--O 1.217 -0.61 0 CA-C-N 116.772 -0.194 . . . . 25.0 111.116 179.157 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 39.8 tt0 -76.95 -18.71 58.08 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.047 0.451 . . . . 25.0 110.175 178.193 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -100.2 -47.83 4.82 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.143 0.497 . . . . 25.0 111.459 -179.31 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -121.84 69.73 26.85 Favored Pre-proline 0 C--N 1.325 -0.484 0 CA-C-N 116.089 -0.505 . . . . 25.0 110.999 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -66.05 141.87 65.72 Favored 'Trans proline' 0 C--O 1.22 -0.383 0 C-N-CA 116.005 -2.196 . . . . 25.0 113.261 -176.881 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 80.87 -28.04 2.9 Favored Glycine 0 CA--C 1.523 0.538 0 N-CA-C 115.173 0.829 . . . . 25.0 115.173 -178.868 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -91.46 86.83 6.19 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 117.841 0.82 . . . . 25.0 110.571 -175.659 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 80.0 t80 -54.8 -45.29 74.33 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.013 -0.539 . . . . 25.0 112.265 -179.43 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -61.27 -46.4 90.49 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 121.838 -0.539 . . . . 25.0 111.847 -178.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.428 ' HA ' HD12 ' A' ' 36' ' ' ILE . 19.7 mm100 -65.77 -38.31 88.69 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 121.924 -0.485 . . . . 25.0 110.734 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -58.54 -38.4 77.71 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.014 -0.736 . . . . 25.0 109.014 177.194 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 93.5 mm-40 -73.74 -36.02 65.1 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 120.948 -0.301 . . . . 25.0 111.173 -176.465 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.428 HD12 ' HA ' ' A' ' 33' ' ' GLN . 81.9 mt -61.18 -47.32 94.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 108.142 -1.059 . . . . 25.0 108.142 176.881 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 31.5 tp -62.32 -46.56 88.16 Favored 'General case' 0 C--O 1.218 -0.582 0 CA-C-N 116.193 -0.458 . . . . 25.0 111.754 -178.72 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.49 HD11 ' HA ' ' A' ' 20' ' ' GLN . 52.1 mt -57.13 -42.17 79.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 122.319 -0.238 . . . . 25.0 110.499 178.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 95.5 mtm-85 -66.24 -35.66 81.01 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.151 -0.62 . . . . 25.0 111.537 178.441 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 55.6 mt-30 -65.07 -40.42 94.67 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 117.906 0.321 . . . . 25.0 110.228 176.506 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 81.9 mt -62.45 -46.66 87.5 Favored 'General case' 0 C--O 1.217 -0.656 0 N-CA-C 108.783 -0.821 . . . . 25.0 108.783 178.442 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -64.49 -34.92 79.33 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 111.976 0.361 . . . . 25.0 111.976 -177.539 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.3 tm-20 -67.06 -48.41 68.33 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.749 -0.463 . . . . 25.0 109.749 176.706 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 37.9 tp60 -63.43 -39.94 95.82 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.085 0.469 . . . . 25.0 111.241 179.738 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 87.2 m-70 -72.69 -16.92 61.67 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 121.955 -0.466 . . . . 25.0 111.583 178.642 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 65.1 t80 -68.38 -37.37 80.34 Favored 'General case' 0 C--N 1.327 -0.396 0 O-C-N 121.381 -0.824 . . . . 25.0 108.87 173.655 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 70.0 mm-40 -64.15 -42.52 96.74 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 108.757 -0.831 . . . . 25.0 108.757 177.291 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 42.5 tt0 -61.83 -41.08 97.35 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.126 -0.488 . . . . 25.0 110.458 177.116 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 35.8 t80 -63.49 -36.69 84.61 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.766 0.317 . . . . 25.0 110.802 179.685 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.323 -0.583 0 O-C-N 122.023 -0.423 . . . . 25.0 110.552 177.535 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 96.7 mttt . . . . . 0 N--CA 1.468 0.471 0 N-CA-C 114.205 1.187 . . . . 25.0 114.205 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -60.84 -31.69 71.12 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-N 119.077 0.853 . . . . 25.0 112.122 -179.051 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -55.99 -39.79 72.36 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-O 121.598 0.713 . . . . 25.0 111.258 177.173 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 29.0 mt -77.73 -43.08 29.4 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.779 0 N-CA-C 108.944 -0.761 . . . . 25.0 108.944 -178.218 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 83.7 mtp -61.82 -39.03 90.35 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.894 -0.593 . . . . 25.0 111.974 -177.774 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.17 -41.68 89.01 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-O 121.307 0.575 . . . . 25.0 111.665 179.349 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.31 -40.9 90.25 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.985 -0.552 . . . . 25.0 111.804 -179.311 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 89.0 mt -66.46 -40.67 89.51 Favored 'General case' 0 C--O 1.223 -0.314 0 CA-C-O 120.737 0.304 . . . . 25.0 110.441 177.569 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -59.0 -35.17 72.79 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 115.959 -0.564 . . . . 25.0 110.604 -177.897 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 36.2 t -62.83 -44.36 96.36 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 111.953 0.353 . . . . 25.0 111.953 -179.752 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 97.1 mm-40 -68.97 -30.69 69.17 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.165 0.507 . . . . 25.0 111.89 -176.151 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 41.4 p -103.81 5.29 35.87 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 113.021 0.748 . . . . 25.0 113.021 -174.681 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.72 -69.55 0.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 114.342 1.238 . . . . 25.0 114.342 -171.378 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.2 p -70.59 -26.51 28.66 Favored 'Isoleucine or valine' 0 C--O 1.237 0.396 0 CA-C-N 116.13 -0.486 . . . . 25.0 110.702 -176.307 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 48.2 tt0 -62.08 -50.63 71.2 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.331 -0.395 . . . . 25.0 110.318 178.651 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 14.8 m-30 -72.97 -28.58 62.48 Favored 'General case' 0 C--O 1.216 -0.692 0 N-CA-C 109.89 -0.411 . . . . 25.0 109.89 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.456 ' HA ' HD11 ' A' ' 38' ' ' ILE . 31.3 tt0 -63.8 -42.48 97.69 Favored 'General case' 0 C--O 1.22 -0.482 0 CA-C-N 117.997 0.362 . . . . 25.0 111.783 178.01 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 60.0 mm-40 -68.08 -41.42 81.92 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.255 -0.646 . . . . 25.0 109.255 178.412 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 77.9 t80 -59.79 -42.78 94.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.172 0.511 . . . . 25.0 111.479 177.691 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.19 -35.58 79.94 Favored 'General case' 0 C--N 1.323 -0.582 0 O-C-N 121.989 -0.444 . . . . 25.0 111.288 -178.148 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.79 -28.39 68.35 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.581 -0.526 . . . . 25.0 109.581 176.575 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 38.4 tt0 -81.38 -5.96 58.42 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 122.487 0.315 . . . . 25.0 110.719 -179.089 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 59.3 mm-40 -109.66 -47.07 3.41 Favored 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 112.615 0.598 . . . . 25.0 112.615 176.201 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -120.8 70.49 18.47 Favored Pre-proline 0 N--CA 1.466 0.342 0 CA-C-O 120.864 0.364 . . . . 25.0 110.047 179.737 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 67.7 Cg_endo -67.91 141.85 55.07 Favored 'Trans proline' 0 CA--C 1.54 0.8 0 C-N-CA 116.097 -2.135 . . . . 25.0 112.433 -179.342 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 84.88 -15.97 39.81 Favored Glycine 0 C--O 1.222 -0.656 0 N-CA-C 115.096 0.798 . . . . 25.0 115.096 -178.51 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 17.7 m120 -110.17 85.61 2.14 Favored 'General case' 0 CA--C 1.511 -0.547 0 CA-C-N 118.429 1.114 . . . . 25.0 112.115 -177.291 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 62.2 t80 -54.96 -45.07 74.89 Favored 'General case' 0 C--O 1.219 -0.521 0 CA-C-N 116.096 -0.502 . . . . 25.0 111.987 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -59.42 -45.67 90.89 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.536 -0.466 . . . . 25.0 111.926 -179.042 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 77.0 mm-40 -69.66 -35.03 74.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 121.422 -0.799 . . . . 25.0 110.775 -179.581 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -58.53 -37.75 76.29 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.559 -0.534 . . . . 25.0 109.559 176.536 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 87.5 mm-40 -72.67 -38.42 67.62 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 120.519 -0.473 . . . . 25.0 110.991 -177.776 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 80.1 mt -61.94 -44.14 98.49 Favored 'Isoleucine or valine' 0 C--O 1.238 0.471 0 N-CA-C 109.38 -0.6 . . . . 25.0 109.38 178.211 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 32.3 tp -62.18 -48.52 79.66 Favored 'General case' 0 C--O 1.219 -0.54 0 CA-C-N 115.839 -0.619 . . . . 25.0 111.167 179.445 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.456 HD11 ' HA ' ' A' ' 20' ' ' GLN . 58.9 mt -58.63 -40.58 79.64 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 N-CA-C 109.523 -0.547 . . . . 25.0 109.523 178.907 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 55.1 ttt85 -57.4 -44.77 84.84 Favored 'General case' 0 N--CA 1.474 0.725 0 O-C-N 122.013 -0.429 . . . . 25.0 110.352 177.765 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -64.95 -40.91 95.74 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 112.239 0.459 . . . . 25.0 112.239 175.264 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 95.9 mt -62.0 -42.97 99.74 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.455 -0.498 . . . . 25.0 110.706 -178.438 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 34.3 mm-40 -66.8 -39.19 87.67 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.487 0.184 . . . . 25.0 111.159 -178.626 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -67.46 -39.54 85.31 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.417 -0.586 . . . . 25.0 109.417 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 69.0 tp60 -67.63 -43.08 81.21 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 112.751 0.648 . . . . 25.0 112.751 178.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 57.5 m80 -67.11 -29.33 69.05 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 120.51 -0.476 . . . . 25.0 110.759 179.631 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 49.0 t80 -62.97 -31.45 72.57 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 112.718 0.636 . . . . 25.0 112.718 174.868 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 79.4 mm-40 -66.1 -36.27 82.73 Favored 'General case' 0 N--CA 1.468 0.44 0 O-C-N 121.551 -0.718 . . . . 25.0 110.558 -179.692 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 37.4 tt0 -60.92 -39.37 89.15 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.999 0.428 . . . . 25.0 110.167 176.085 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 35.7 t80 -64.77 -41.46 95.86 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.008 0.432 . . . . 25.0 110.057 178.088 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.344 0 C-N-CA 120.822 -0.351 . . . . 25.0 111.363 177.62 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 60.6 tttm . . . . . 0 N--CA 1.474 0.772 0 CA-C-O 121.071 0.463 . . . . 25.0 111.943 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.8 tm0? -60.29 -35.05 74.68 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 112.924 0.713 . . . . 25.0 112.924 -177.863 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -65.61 -40.72 92.95 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.422 0.63 . . . . 25.0 110.898 -178.685 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 8.8 mt -68.68 -40.38 81.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 108.491 -0.929 . . . . 25.0 108.491 -179.014 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 83.9 mtp -63.69 -37.52 87.66 Favored 'General case' 0 C--O 1.22 -0.458 0 CA-C-N 116.315 -0.402 . . . . 25.0 110.948 178.496 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.01 -37.07 83.47 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.703 0.287 . . . . 25.0 110.477 179.411 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.75 -44.56 89.7 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 110.095 -0.335 . . . . 25.0 110.095 177.684 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 90.5 mt -64.34 -38.67 91.86 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-O 120.658 0.266 . . . . 25.0 110.592 178.639 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -64.09 -39.34 93.85 Favored 'General case' 0 C--O 1.22 -0.493 0 N-CA-C 109.421 -0.585 . . . . 25.0 109.421 -179.518 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 33.4 t -63.3 -41.72 98.98 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.141 0.496 . . . . 25.0 110.759 179.444 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 91.3 mm-40 -69.67 -37.68 76.77 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.952 0.723 . . . . 25.0 112.952 -179.499 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 74.4 p -105.94 -1.19 24.36 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 116.415 2.006 . . . . 25.0 116.415 -169.758 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -49.32 -68.1 0.21 Allowed 'General case' 0 CA--C 1.543 0.688 0 N-CA-C 114.086 1.143 . . . . 25.0 114.086 -176.823 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 8.4 p -69.56 -27.99 36.02 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.452 0 O-C-N 121.951 -0.468 . . . . 25.0 110.797 -177.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 48.7 tt0 -63.5 -48.0 79.38 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.477 0.656 . . . . 25.0 110.224 -179.37 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 14.6 m-30 -76.14 -23.77 54.83 Favored 'General case' 0 C--O 1.218 -0.571 0 CA-C-N 115.978 -0.555 . . . . 25.0 110.545 -179.428 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.481 ' HA ' HD11 ' A' ' 38' ' ' ILE . 43.3 tt0 -61.77 -38.4 87.91 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 122.174 -0.329 . . . . 25.0 111.103 177.273 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -64.32 -42.72 96.18 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 121.072 0.463 . . . . 25.0 109.987 179.283 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 75.1 t80 -66.86 -40.61 87.93 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.201 0.524 . . . . 25.0 111.047 178.041 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.432 ' HA ' HD23 ' A' ' 37' ' ' LEU . . . -63.6 -38.51 91.41 Favored 'General case' 0 C--N 1.322 -0.601 0 O-C-N 121.997 -0.439 . . . . 25.0 110.625 -179.087 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.3 -25.92 64.47 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.721 -0.218 . . . . 25.0 110.638 178.724 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 42.9 tt0 -75.4 -23.22 57.01 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.964 0.412 . . . . 25.0 110.643 179.11 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 10.7 mm-40 -96.8 -46.95 6.05 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 116.096 -0.502 . . . . 25.0 112.32 -178.811 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -121.73 70.23 26.62 Favored Pre-proline 0 C--O 1.24 0.555 0 N-CA-C 109.736 -0.468 . . . . 25.0 109.736 -179.434 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_endo -66.9 139.44 51.7 Favored 'Trans proline' 0 C--O 1.221 -0.34 0 C-N-CA 116.363 -1.958 . . . . 25.0 113.133 -175.448 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 80.39 -24.54 3.57 Favored Glycine 0 CA--C 1.522 0.486 0 N-CA-C 114.989 0.756 . . . . 25.0 114.989 -178.676 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 21.4 m120 -90.24 84.62 6.09 Favored 'General case' 0 CA--C 1.512 -0.488 0 CA-C-N 118.02 0.91 . . . . 25.0 109.871 -176.826 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 79.7 t80 -55.17 -45.6 75.75 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.772 -0.194 . . . . 25.0 111.466 -179.156 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -58.58 -45.7 88.48 Favored 'General case' 0 C--N 1.323 -0.576 0 O-C-N 121.995 -0.441 . . . . 25.0 111.857 -179.445 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.482 ' HA ' HD12 ' A' ' 36' ' ' ILE . 97.0 mm-40 -72.56 -34.12 67.28 Favored 'General case' 0 CA--C 1.504 -0.813 0 O-C-N 121.814 -0.554 . . . . 25.0 111.165 -176.873 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 53.9 mt-30 -57.28 -37.51 72.5 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 108.698 -0.852 . . . . 25.0 108.698 175.317 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -75.64 -38.01 59.21 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.7 -0.4 . . . . 25.0 111.372 -177.68 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.482 HD12 ' HA ' ' A' ' 33' ' ' GLN . 65.1 mt -61.85 -40.02 85.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 N-CA-C 108.981 -0.748 . . . . 25.0 108.981 176.773 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.432 HD23 ' HA ' ' A' ' 23' ' ' ALA . 26.9 tp -65.52 -51.22 61.51 Favored 'General case' 0 C--O 1.219 -0.541 0 O-C-N 122.185 -0.322 . . . . 25.0 110.914 178.654 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.481 HD11 ' HA ' ' A' ' 20' ' ' GLN . 61.7 mt -56.88 -39.52 65.52 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 CA-C-O 120.568 0.223 . . . . 25.0 110.613 178.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 79.4 ttt180 -57.0 -41.0 77.68 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 122.006 -0.434 . . . . 25.0 111.241 177.603 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -72.9 -40.56 65.44 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.928 -0.123 . . . . 25.0 111.265 178.533 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 87.6 mt -61.04 -41.0 95.75 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-O 121.088 0.47 . . . . 25.0 110.286 -179.039 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -68.72 -34.39 75.54 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 111.928 0.344 . . . . 25.0 111.928 -178.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -71.1 -41.92 69.97 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.535 -0.542 . . . . 25.0 109.535 176.127 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 16.2 tm0? -60.66 -42.52 97.19 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.769 -0.456 . . . . 25.0 109.769 178.129 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 23.2 t-160 -61.57 -40.16 93.76 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.666 -0.494 . . . . 25.0 109.666 177.45 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 73.3 t80 -64.26 -40.45 96.02 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 121.939 -0.475 . . . . 25.0 112.176 177.211 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 91.4 mm-40 -63.21 -41.34 99.14 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.562 -0.533 . . . . 25.0 109.562 178.537 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 17.6 tm0? -63.52 -42.29 98.47 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.7 -0.481 . . . . 25.0 109.7 177.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 38.3 t80 -60.42 -40.29 90.5 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.041 0.448 . . . . 25.0 111.304 178.003 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.322 -0.588 0 O-C-N 121.932 -0.48 . . . . 25.0 111.618 179.425 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 59.4 mtpt . . . . . 0 N--CA 1.469 0.505 0 N-CA-C 114.139 1.163 . . . . 25.0 114.139 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 20.0 pt20 -63.97 -25.06 67.97 Favored 'General case' 0 C--O 1.216 -0.683 0 N-CA-C 113.83 1.048 . . . . 25.0 113.83 -178.505 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 99.4 mt-30 -66.02 -42.62 89.39 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 121.84 0.829 . . . . 25.0 109.203 178.36 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 42.3 mt -65.63 -40.66 88.63 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.814 0 CA-C-N 114.999 -1.0 . . . . 25.0 109.673 -177.84 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 69.7 mtp -65.22 -39.42 92.73 Favored 'General case' 0 C--O 1.223 -0.321 0 CA-C-N 115.962 -0.563 . . . . 25.0 110.278 178.808 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.0 -41.35 97.95 Favored 'General case' 0 CA--C 1.535 0.393 0 O-C-N 122.099 -0.376 . . . . 25.0 110.754 179.613 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.61 -48.04 76.39 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.124 0.488 . . . . 25.0 111.142 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 82.9 mt -64.89 -33.45 76.04 Favored 'General case' 0 C--O 1.221 -0.44 0 CA-C-N 115.698 -0.683 . . . . 25.0 110.831 -178.017 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 43.3 m-20 -65.97 -37.05 85.0 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.561 -0.456 . . . . 25.0 110.767 -178.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 54.6 m -66.02 -36.17 82.53 Favored 'General case' 0 C--O 1.222 -0.346 0 O-C-N 122.055 -0.403 . . . . 25.0 111.393 177.839 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 80.2 mt-30 -72.39 -21.16 61.32 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 112.45 0.537 . . . . 25.0 112.45 -178.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 57.5 p -114.61 0.08 13.82 Favored 'General case' 0 C--N 1.316 -0.873 0 N-CA-C 112.692 0.627 . . . . 25.0 112.692 -172.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -50.16 -66.1 0.45 Allowed 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 113.569 0.952 . . . . 25.0 113.569 -176.356 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.9 p -77.89 -27.47 15.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-O 121.481 0.658 . . . . 25.0 110.654 -179.202 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -61.97 -46.58 88.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 121.699 -0.626 . . . . 25.0 111.353 -176.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 17.4 m-30 -81.58 -19.84 41.11 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.497 -0.557 . . . . 25.0 109.497 -178.655 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.522 ' HA ' HD11 ' A' ' 38' ' ' ILE . 60.0 tt0 -64.79 -41.38 95.87 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 120.417 -0.513 . . . . 25.0 111.204 178.477 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -61.95 -40.45 95.57 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.802 -0.359 . . . . 25.0 110.131 178.716 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 71.7 t80 -67.53 -41.31 84.54 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.083 0.468 . . . . 25.0 111.354 176.543 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.423 ' HA ' HD23 ' A' ' 37' ' ' LEU . . . -61.02 -37.6 83.12 Favored 'General case' 0 N--CA 1.448 -0.569 0 O-C-N 122.178 -0.326 . . . . 25.0 111.154 -179.718 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.57 -24.72 66.39 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 111.967 0.358 . . . . 25.0 111.967 179.627 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.66 -25.05 38.51 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.794 -0.447 . . . . 25.0 109.794 -179.125 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 29.3 mm-40 -91.38 -44.31 9.23 Favored 'General case' 0 C--O 1.217 -0.648 0 N-CA-C 112.055 0.391 . . . . 25.0 112.055 -179.359 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -122.85 69.69 36.92 Favored Pre-proline 0 C--N 1.325 -0.476 0 CA-C-O 121.402 0.62 . . . . 25.0 110.482 -178.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -68.99 138.08 39.38 Favored 'Trans proline' 0 C--O 1.218 -0.504 0 C-N-CA 116.692 -1.739 . . . . 25.0 112.983 -176.038 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 84.55 -13.39 52.23 Favored Glycine 0 C--O 1.22 -0.759 0 N-CA-C 115.101 0.801 . . . . 25.0 115.101 -179.56 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -107.53 87.42 2.5 Favored 'General case' 0 CA--C 1.503 -0.846 0 O-C-N 122.084 -0.656 . . . . 25.0 111.001 -176.307 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 28.7 t80 -56.14 -43.82 78.63 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.278 -0.874 . . . . 25.0 111.102 -179.583 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -60.24 -47.37 86.29 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.5 -0.318 . . . . 25.0 111.809 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -69.51 -34.45 74.3 Favored 'General case' 0 CA--C 1.505 -0.76 0 O-C-N 121.533 -0.729 . . . . 25.0 110.798 -177.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 68.7 mt-30 -60.36 -37.32 80.34 Favored 'General case' 0 C--N 1.315 -0.923 0 N-CA-C 109.916 -0.401 . . . . 25.0 109.916 177.039 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 93.2 mm-40 -71.18 -40.12 71.42 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-O 121.643 0.735 . . . . 25.0 109.657 -178.461 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 86.1 mt -61.87 -42.72 95.71 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 N-CA-C 109.438 -0.578 . . . . 25.0 109.438 178.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.423 HD23 ' HA ' ' A' ' 23' ' ' ALA . 25.4 tp -64.02 -46.84 82.67 Favored 'General case' 0 C--O 1.221 -0.417 0 CA-C-O 120.608 0.242 . . . . 25.0 111.418 -178.426 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.522 HD11 ' HA ' ' A' ' 20' ' ' GLN . 45.7 mt -55.98 -40.19 61.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 N-CA-C 110.139 -0.319 . . . . 25.0 110.139 177.516 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 7.0 tmm_? -62.45 -41.67 98.91 Favored 'General case' 0 N--CA 1.48 1.043 0 O-C-N 121.852 -0.53 . . . . 25.0 111.46 177.165 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -62.37 -43.28 99.2 Favored 'General case' 0 C--O 1.238 0.46 0 CA-C-O 121.444 0.64 . . . . 25.0 110.973 177.848 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 88.8 mt -67.25 -38.88 85.9 Favored 'General case' 0 C--O 1.244 0.813 0 CA-C-N 115.643 -0.708 . . . . 25.0 110.21 -177.546 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -69.74 -34.75 74.27 Favored 'General case' 0 C--N 1.322 -0.593 0 O-C-N 122.344 -0.222 . . . . 25.0 111.165 -179.703 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -67.01 -41.0 87.43 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-O 121.492 0.663 . . . . 25.0 110.512 176.472 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 47.7 tp60 -66.88 -41.07 87.83 Favored 'General case' 0 C--N 1.318 -0.762 0 O-C-N 121.763 -0.586 . . . . 25.0 110.88 178.045 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 41.1 t-80 -64.02 -34.43 77.99 Favored 'General case' 0 N--CA 1.451 -0.42 0 O-C-N 122.14 -0.35 . . . . 25.0 111.489 177.342 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 72.3 t80 -62.17 -37.54 85.64 Favored 'General case' 0 C--O 1.241 0.625 0 C-N-CA 120.261 -0.576 . . . . 25.0 111.093 177.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 -65.34 -42.59 92.73 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.902 -0.407 . . . . 25.0 109.902 178.744 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -62.93 -43.63 98.28 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.284 -0.636 . . . . 25.0 109.284 178.301 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 39.7 t80 -60.36 -41.7 94.24 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.552 -0.295 . . . . 25.0 110.852 179.636 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 C-N-CA 120.778 -0.369 . . . . 25.0 111.447 178.543 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 55.3 mtpt . . . . . 0 N--CA 1.473 0.698 0 N-CA-C 112.245 0.461 . . . . 25.0 112.245 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 55.0 tp60 -67.2 -30.16 70.02 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 112.62 0.6 . . . . 25.0 112.62 179.434 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -63.94 -36.76 85.01 Favored 'General case' 0 CA--C 1.511 -0.539 0 CA-C-O 121.552 0.692 . . . . 25.0 109.437 178.636 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 36.4 mt -70.48 -43.81 77.65 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.92 0 CA-C-N 115.002 -0.999 . . . . 25.0 108.922 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 94.3 mmm -61.24 -35.52 77.46 Favored 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 112.343 0.497 . . . . 25.0 112.343 177.228 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.72 -41.57 78.84 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.583 -0.525 . . . . 25.0 109.583 177.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.78 -44.14 86.64 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-O 120.978 0.418 . . . . 25.0 110.064 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 94.7 mt -64.72 -30.43 71.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.454 -0.339 . . . . 25.0 111.026 179.501 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -60.05 -43.76 95.15 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 120.729 0.3 . . . . 25.0 110.431 179.118 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 24.8 m -68.7 -36.91 79.07 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 116.428 -0.351 . . . . 25.0 111.427 178.7 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -72.16 -23.99 61.37 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 113.37 0.878 . . . . 25.0 113.37 -177.484 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 72.3 p -113.71 -3.07 13.58 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 113.849 1.055 . . . . 25.0 113.849 -173.162 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -48.35 -71.2 0.07 Allowed 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 114.962 1.467 . . . . 25.0 114.962 -172.546 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.9 p -70.57 -28.59 35.15 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 CA-C-O 121.223 0.535 . . . . 25.0 110.759 -176.797 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -60.47 -48.32 82.29 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.409 0.623 . . . . 25.0 110.761 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 15.8 m-30 -80.31 -24.02 40.25 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.363 -0.38 . . . . 25.0 111.041 -179.255 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.495 ' HA ' HD11 ' A' ' 38' ' ' ILE . 41.4 tt0 -61.24 -39.74 91.44 Favored 'General case' 0 N--CA 1.47 0.57 0 O-C-N 121.76 -0.588 . . . . 25.0 111.321 176.885 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -60.76 -46.13 91.63 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 120.994 0.426 . . . . 25.0 110.281 177.882 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 85.2 t80 -66.35 -36.45 82.93 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 120.975 0.417 . . . . 25.0 111.818 178.417 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.504 ' HA ' HD23 ' A' ' 37' ' ' LEU . . . -64.19 -38.16 90.06 Favored 'General case' 0 C--N 1.32 -0.682 0 O-C-N 122.152 -0.343 . . . . 25.0 110.181 -178.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.39 -29.08 65.63 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 110.118 -0.327 . . . . 25.0 110.118 177.248 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 32.7 tt0 -70.58 -16.15 62.83 Favored 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 112.393 0.516 . . . . 25.0 112.393 176.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 67.7 mm-40 -106.34 -50.37 3.16 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 112.402 0.519 . . . . 25.0 112.402 178.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 16.6 m-85 -121.66 69.98 25.52 Favored Pre-proline 0 C--O 1.241 0.619 0 C-N-CA 122.364 0.266 . . . . 25.0 110.638 -176.871 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -68.25 141.75 53.02 Favored 'Trans proline' 0 C--N 1.351 0.691 0 C-N-CA 115.702 -2.399 . . . . 25.0 112.66 -177.497 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 85.84 -22.12 12.74 Favored Glycine 0 C--N 1.332 0.323 0 C-N-CA 121.259 -0.496 . . . . 25.0 114.067 -179.014 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 10.6 m120 -100.54 86.04 3.06 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 118.713 1.256 . . . . 25.0 111.675 -175.336 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 79.2 t80 -54.83 -47.13 74.49 Favored 'General case' 0 N--CA 1.469 0.521 0 N-CA-C 112.009 0.374 . . . . 25.0 112.009 -178.479 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -59.47 -46.08 89.82 Favored 'General case' 0 CA--C 1.543 0.708 0 O-C-N 122.156 -0.34 . . . . 25.0 111.754 -179.197 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.402 ' HA ' HD12 ' A' ' 36' ' ' ILE . 87.7 mt-30 -69.94 -33.29 71.94 Favored 'General case' 0 CA--C 1.512 -0.493 0 O-C-N 121.797 -0.564 . . . . 25.0 110.846 -177.788 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 69.3 mt-30 -60.25 -37.47 80.49 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.208 -0.664 . . . . 25.0 109.208 175.02 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 95.6 mm-40 -71.83 -39.24 69.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 122.108 -0.37 . . . . 25.0 110.369 -178.644 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.402 HD12 ' HA ' ' A' ' 33' ' ' GLN . 80.7 mt -63.27 -42.57 96.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 N-CA-C 109.096 -0.705 . . . . 25.0 109.096 178.546 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.504 HD23 ' HA ' ' A' ' 23' ' ' ALA . 36.4 tp -64.05 -48.16 77.34 Favored 'General case' 0 C--O 1.215 -0.76 0 CA-C-N 115.736 -0.665 . . . . 25.0 110.901 179.458 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.495 HD11 ' HA ' ' A' ' 20' ' ' GLN . 57.4 mt -56.68 -37.4 52.59 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 O-C-N 122.202 -0.311 . . . . 25.0 110.845 177.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.07 -47.35 86.25 Favored 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 108.285 -1.006 . . . . 25.0 108.285 177.532 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 48.6 tt0 -63.3 -40.52 97.57 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 116.486 -0.325 . . . . 25.0 111.013 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 80.0 mt -63.62 -37.06 85.88 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 122.113 -0.367 . . . . 25.0 110.706 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -69.78 -36.21 75.54 Favored 'General case' 0 C--N 1.319 -0.729 0 O-C-N 122.411 -0.181 . . . . 25.0 110.881 178.228 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 63.8 mt-10 -68.9 -35.63 77.08 Favored 'General case' 0 C--N 1.321 -0.66 0 O-C-N 122.102 -0.373 . . . . 25.0 110.107 177.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 18.0 tm0? -68.45 -44.57 74.6 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.66 -0.496 . . . . 25.0 109.66 174.82 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 59.7 t60 -59.43 -31.33 69.19 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.194 -0.457 . . . . 25.0 111.794 -179.54 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 32.8 t80 -57.85 -35.07 70.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.473 -0.331 . . . . 25.0 111.614 177.818 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 83.3 mt-30 -65.66 -44.15 87.2 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.244 -0.65 . . . . 25.0 109.244 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 28.6 tt0 -65.92 -41.55 91.24 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.996 0.427 . . . . 25.0 110.495 179.04 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 26.9 t80 -62.53 -40.37 96.58 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.45 -0.341 . . . . 25.0 111.006 178.454 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.457 0 CA-C-O 120.905 0.384 . . . . 25.0 111.872 178.224 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 19.5 ptpt . . . . . 0 N--CA 1.475 0.817 0 N-CA-C 114.287 1.217 . . . . 25.0 114.287 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 82.1 mt-30 -65.68 -27.39 68.32 Favored 'General case' 0 C--O 1.216 -0.71 0 N-CA-C 113.237 0.829 . . . . 25.0 113.237 -178.78 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 91.8 mt-30 -70.37 -38.59 74.77 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 120.832 -0.347 . . . . 25.0 110.222 177.453 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 42.4 mt -68.02 -42.37 85.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 N-CA-C 107.725 -1.213 . . . . 25.0 107.725 178.612 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 81.8 mmm -60.13 -42.1 94.1 Favored 'General case' 0 C--O 1.209 -1.078 0 CA-C-N 116.519 -0.309 . . . . 25.0 110.258 177.768 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.28 -39.64 91.17 Favored 'General case' 0 C--O 1.243 0.743 0 CA-C-N 118.909 0.777 . . . . 25.0 111.208 179.411 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.7 -44.91 80.41 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.067 0.461 . . . . 25.0 110.409 178.166 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 86.4 mt -64.48 -40.06 94.98 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 121.335 0.588 . . . . 25.0 110.041 179.324 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 62.6 m-20 -60.79 -38.55 85.7 Favored 'General case' 0 C--O 1.216 -0.705 0 O-C-N 121.68 -0.638 . . . . 25.0 110.413 -179.36 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 57.0 m -69.76 -41.23 75.47 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.571 -0.451 . . . . 25.0 111.699 -177.078 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -77.75 -20.46 53.4 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 113.106 0.78 . . . . 25.0 113.106 -176.786 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 70.8 p -105.05 2.29 29.35 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.579 0.228 . . . . 25.0 111.586 -179.688 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -47.85 -67.19 0.3 Allowed 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 114.821 1.415 . . . . 25.0 114.821 -172.829 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 8.4 p -71.56 -26.93 27.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 C-N-CA 120.367 -0.533 . . . . 25.0 111.037 -174.259 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 64.1 tt0 -62.25 -48.77 78.47 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.792 -0.447 . . . . 25.0 109.792 177.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 18.3 m-30 -75.65 -31.55 59.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.7 -0.227 . . . . 25.0 110.561 -179.708 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 17.0 tm0? -62.62 -48.83 77.68 Favored 'General case' 0 C--N 1.328 -0.36 0 O-C-N 122.151 -0.343 . . . . 25.0 111.611 -179.476 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -64.25 -39.64 94.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 122.101 -0.374 . . . . 25.0 110.672 -178.078 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 91.5 t80 -64.94 -43.65 92.06 Favored 'General case' 0 C--O 1.223 -0.304 0 CA-C-N 116.286 -0.416 . . . . 25.0 111.204 177.52 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.08 -38.21 90.25 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 120.117 -0.633 . . . . 25.0 110.643 -179.566 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.95 -26.68 67.69 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 110.213 -0.291 . . . . 25.0 110.213 179.081 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -78.28 -27.55 47.43 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.051 0.453 . . . . 25.0 111.945 178.343 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 96.4 mm-40 -90.17 -45.37 9.15 Favored 'General case' 0 C--O 1.214 -0.788 0 CA-C-N 115.907 -0.588 . . . . 25.0 110.527 -175.605 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 26.3 m-85 -121.7 69.26 24.57 Favored Pre-proline 0 N--CA 1.473 0.676 0 CA-C-N 116.12 -0.491 . . . . 25.0 110.021 179.621 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -68.15 138.86 44.69 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 117.236 -1.376 . . . . 25.0 112.725 -176.292 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 82.17 -15.68 26.76 Favored Glycine 0 CA--C 1.522 0.513 0 N-CA-C 115.292 0.877 . . . . 25.0 115.292 -178.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -105.46 86.62 2.44 Favored 'General case' 0 N--CA 1.475 0.824 0 CA-C-N 117.881 0.84 . . . . 25.0 112.545 -175.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 70.4 t80 -53.64 -46.67 70.62 Favored 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 113.111 0.782 . . . . 25.0 113.111 -178.883 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -59.52 -45.26 92.26 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 112.756 0.65 . . . . 25.0 112.756 -179.322 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 97.8 mm-40 -70.01 -35.96 74.76 Favored 'General case' 0 C--N 1.319 -0.748 0 O-C-N 121.967 -0.458 . . . . 25.0 111.106 -178.379 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 -58.77 -37.8 77.09 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.364 -0.606 . . . . 25.0 109.364 174.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 57.2 mm-40 -74.01 -35.92 64.44 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 121.182 -0.207 . . . . 25.0 110.799 -176.05 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 77.4 mt -63.0 -43.7 99.24 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 N-CA-C 109.735 -0.469 . . . . 25.0 109.735 176.028 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 24.7 tp -63.73 -49.55 72.63 Favored 'General case' 0 C--O 1.214 -0.77 0 CA-C-N 116.359 -0.382 . . . . 25.0 110.179 179.115 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 64.4 mt -56.63 -39.68 64.46 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 O-C-N 122.344 -0.222 . . . . 25.0 110.833 179.506 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 6.9 tmm_? -60.13 -43.26 95.82 Favored 'General case' 0 N--CA 1.466 0.371 0 O-C-N 121.551 -0.718 . . . . 25.0 110.231 176.825 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -66.44 -39.27 88.79 Favored 'General case' 0 N--CA 1.467 0.394 0 O-C-N 121.967 -0.458 . . . . 25.0 111.929 178.502 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 86.9 mt -62.47 -39.74 94.38 Favored 'General case' 0 C--O 1.214 -0.786 0 CA-C-N 117.615 0.189 . . . . 25.0 110.592 177.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -66.88 -36.13 81.61 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 122.096 0.158 . . . . 25.0 110.818 179.005 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.1 tm-20 -68.14 -44.92 74.96 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.701 -0.481 . . . . 25.0 109.701 178.123 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -63.87 -40.33 96.31 Favored 'General case' 0 C--O 1.242 0.67 0 CA-C-O 121.005 0.431 . . . . 25.0 110.668 178.353 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 81.8 t60 -64.79 -38.04 89.63 Favored 'General case' 0 CA--C 1.516 -0.354 0 CA-C-N 116.025 -0.534 . . . . 25.0 110.216 178.617 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 45.8 t80 -60.84 -40.7 93.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 121.974 -0.454 . . . . 25.0 110.757 178.544 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -63.57 -46.22 86.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.996 0.427 . . . . 25.0 109.979 178.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -62.85 -40.37 97.26 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-O 120.682 0.277 . . . . 25.0 110.893 179.216 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 61.3 t80 -63.96 -44.32 93.11 Favored 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 122.823 0.449 . . . . 25.0 111.297 178.051 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.215 -0.736 0 C-N-CA 121.101 -0.24 . . . . 25.0 110.873 179.186 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 32.9 mmtp . . . . . 0 CA--C 1.541 0.606 0 N-CA-C 112.051 0.389 . . . . 25.0 112.051 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -70.73 -26.67 63.49 Favored 'General case' 0 C--N 1.308 -1.223 0 N-CA-C 113.45 0.907 . . . . 25.0 113.45 -176.742 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -65.47 -36.76 84.83 Favored 'General case' 0 C--N 1.314 -0.961 0 N-CA-C 108.606 -0.887 . . . . 25.0 108.606 177.66 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 51.2 mt -68.86 -39.74 80.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 108.777 -0.823 . . . . 25.0 108.777 -177.832 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 74.1 mtp -61.64 -42.43 98.89 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 116.262 -0.426 . . . . 25.0 110.071 178.357 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.12 -40.07 92.4 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-O 120.895 0.378 . . . . 25.0 111.761 -178.613 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.89 -43.45 92.86 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.483 -0.326 . . . . 25.0 111.186 -178.656 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 94.4 mt -62.85 -45.14 93.97 Favored 'General case' 0 N--CA 1.48 1.069 0 O-C-N 123.422 0.451 . . . . 25.0 110.133 176.112 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 82.9 m-20 -64.44 -31.56 72.82 Favored 'General case' 0 C--O 1.212 -0.893 0 CA-C-N 115.984 -0.553 . . . . 25.0 112.179 -175.156 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 42.5 m -65.7 -36.48 83.75 Favored 'General case' 0 C--O 1.209 -1.043 0 O-C-N 122.212 -0.305 . . . . 25.0 111.247 177.887 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 96.6 mm-40 -73.39 -43.0 61.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.336 0.589 . . . . 25.0 110.403 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 82.2 p -93.34 11.62 27.62 Favored 'General case' 0 C--O 1.251 1.172 0 N-CA-C 113.525 0.935 . . . . 25.0 113.525 -172.29 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.99 -66.63 0.36 Allowed 'General case' 0 CA--C 1.545 0.751 0 N-CA-C 114.505 1.298 . . . . 25.0 114.505 -175.589 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.5 p -73.04 -26.14 22.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-O 121.308 0.575 . . . . 25.0 110.246 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -58.98 -50.62 73.41 Favored 'General case' 0 C--O 1.254 1.323 0 N-CA-C 109.249 -0.648 . . . . 25.0 109.249 -179.121 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 13.9 m-30 -73.48 -32.44 64.3 Favored 'General case' 0 C--N 1.315 -0.919 0 C-N-CA 120.583 -0.447 . . . . 25.0 110.293 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 66.3 tt0 -59.73 -43.95 93.97 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 113.327 0.862 . . . . 25.0 113.327 -178.346 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -66.06 -41.69 90.44 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-N 116.423 -0.353 . . . . 25.0 110.447 179.636 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 88.4 t80 -64.9 -43.05 94.13 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-O 121.228 0.537 . . . . 25.0 111.764 177.747 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.56 -37.64 86.95 Favored 'General case' 0 C--N 1.327 -0.384 0 O-C-N 121.943 -0.473 . . . . 25.0 110.714 179.172 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.87 -23.66 63.3 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-O 121.839 0.828 . . . . 25.0 110.244 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.24 -14.17 58.63 Favored 'General case' 0 C--O 1.21 -1.01 0 O-C-N 121.571 -0.706 . . . . 25.0 111.607 178.208 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 96.6 mm-40 -103.96 -47.11 4.28 Favored 'General case' 0 C--O 1.215 -0.723 0 CA-C-N 115.906 -0.588 . . . . 25.0 110.778 -179.668 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -120.34 70.21 16.07 Favored Pre-proline 0 C--O 1.245 0.862 0 CA-C-O 120.56 0.219 . . . . 25.0 111.356 179.029 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_endo -67.24 145.84 73.73 Favored 'Trans proline' 0 N--CA 1.454 -0.841 0 C-N-CA 116.323 -1.985 . . . . 25.0 113.201 -176.268 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 82.34 -26.83 3.81 Favored Glycine 0 N--CA 1.469 0.864 0 CA-C-N 115.677 -0.692 . . . . 25.0 114.508 179.458 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -99.83 87.55 3.55 Favored 'General case' 0 C--N 1.311 -1.071 0 CA-C-O 121.829 0.823 . . . . 25.0 111.929 -174.342 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 27.3 t80 -53.72 -43.0 68.68 Favored 'General case' 0 C--N 1.313 -1.018 0 CA-C-N 114.91 -1.041 . . . . 25.0 113.316 177.422 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -62.43 -42.84 99.75 Favored 'General case' 0 C--O 1.217 -0.638 0 O-C-N 121.086 -1.009 . . . . 25.0 113.233 179.046 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 96.0 mm-40 -68.24 -38.34 81.71 Favored 'General case' 0 CA--C 1.509 -0.604 0 CA-C-O 122.728 1.251 . . . . 25.0 110.905 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -57.68 -38.91 75.95 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 114.481 -1.236 . . . . 25.0 109.767 177.569 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 94.0 mm-40 -70.67 -37.83 73.71 Favored 'General case' 0 N--CA 1.477 0.905 0 CA-C-O 121.455 0.645 . . . . 25.0 112.073 -178.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 68.7 mt -64.42 -39.81 86.86 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.876 0 N-CA-C 109.024 -0.732 . . . . 25.0 109.024 179.507 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 26.1 tp -65.71 -45.59 82.2 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.246 0.546 . . . . 25.0 112.041 179.568 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 62.3 mt -59.57 -41.99 86.7 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.896 0 CA-C-N 116.155 -0.475 . . . . 25.0 110.769 178.437 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 65.4 ttt-85 -55.44 -38.75 69.42 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-O 120.735 0.302 . . . . 25.0 110.515 177.621 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 36.9 tt0 -72.26 -42.58 65.43 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.244 0.545 . . . . 25.0 110.228 179.661 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 88.8 mt -64.54 -37.28 87.0 Favored 'General case' 0 N--CA 1.477 0.887 0 O-C-N 121.48 -0.762 . . . . 25.0 111.166 -177.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -63.84 -40.39 96.49 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-O 121.007 0.432 . . . . 25.0 110.625 179.803 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -66.22 -39.58 89.68 Favored 'General case' 0 C--O 1.224 -0.261 0 C-N-CA 120.074 -0.65 . . . . 25.0 110.858 177.771 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -61.54 -40.77 95.88 Favored 'General case' 0 N--CA 1.481 1.092 0 N-CA-C 109.863 -0.421 . . . . 25.0 109.863 179.039 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -66.73 -38.32 86.43 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 116.234 -0.439 . . . . 25.0 109.876 178.792 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 54.3 t80 -66.61 -39.57 88.43 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.372 0.605 . . . . 25.0 110.728 179.357 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -62.85 -43.36 99.0 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-N 116.254 -0.43 . . . . 25.0 109.843 179.566 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 26.4 tt0 -60.63 -43.02 98.02 Favored 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 108.523 -0.917 . . . . 25.0 108.523 177.8 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 37.1 t80 -62.21 -46.73 87.59 Favored 'General case' 0 C--O 1.213 -0.849 0 CA-C-O 121.145 0.498 . . . . 25.0 110.242 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.538 0.512 0 O-C-N 121.873 -0.517 . . . . 25.0 112.014 -178.598 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 67.7 mttm . . . . . 0 N--CA 1.472 0.644 0 N-CA-C 113.631 0.974 . . . . 25.0 113.631 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 57.1 mt-30 -72.71 -23.46 60.86 Favored 'General case' 0 C--O 1.214 -0.786 0 O-C-N 121.745 -0.597 . . . . 25.0 112.519 -176.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -66.43 -36.83 83.79 Favored 'General case' 0 C--O 1.217 -0.656 0 CA-C-N 118.825 0.739 . . . . 25.0 109.31 176.243 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 37.4 mt -66.24 -43.04 91.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 N-CA-C 108.256 -1.016 . . . . 25.0 108.256 179.4 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 62.5 mtp -67.76 -29.16 68.3 Favored 'General case' 0 C--O 1.216 -0.662 0 O-C-N 121.402 -0.812 . . . . 25.0 111.835 179.598 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.43 -38.86 78.05 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.35 -0.611 . . . . 25.0 109.35 177.253 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.57 -43.3 90.2 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.017 -0.538 . . . . 25.0 110.611 178.147 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 92.0 mt -64.77 -33.45 76.01 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-O 121.252 0.549 . . . . 25.0 110.53 177.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -62.76 -40.55 97.61 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.364 -0.38 . . . . 25.0 110.392 179.291 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 38.9 t -66.27 -41.38 89.97 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 110.054 -0.35 . . . . 25.0 110.054 179.515 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -67.51 -27.55 67.09 Favored 'General case' 0 N--CA 1.468 0.432 0 N-CA-C 113.968 1.099 . . . . 25.0 113.968 -178.883 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 72.1 p -116.47 8.21 13.98 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 113.835 1.05 . . . . 25.0 113.835 -172.58 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -47.83 -72.7 0.05 OUTLIER 'General case' 0 CA--C 1.546 0.8 0 N-CA-C 113.936 1.087 . . . . 25.0 113.936 -173.352 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 8.3 p -74.37 -25.08 19.25 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.356 0 O-C-N 121.834 -0.541 . . . . 25.0 110.458 -178.696 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 43.6 tt0 -59.37 -45.3 91.82 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.278 0.561 . . . . 25.0 110.987 -178.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 14.4 m-30 -86.62 -23.32 25.76 Favored 'General case' 0 C--O 1.214 -0.772 0 CA-C-N 116.055 -0.52 . . . . 25.0 111.114 178.72 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.457 ' HA ' HD11 ' A' ' 38' ' ' ILE . 41.8 tp60 -61.32 -42.79 99.26 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 118.461 0.573 . . . . 25.0 110.218 176.626 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 25.7 mm100 -63.0 -41.68 99.65 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 120.644 -0.422 . . . . 25.0 110.806 178.474 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 55.9 t80 -64.71 -41.2 96.17 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-O 121.634 0.73 . . . . 25.0 110.878 177.48 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.439 ' HA ' HD23 ' A' ' 37' ' ' LEU . . . -65.58 -35.59 81.29 Favored 'General case' 0 C--N 1.317 -0.817 0 O-C-N 121.556 -0.715 . . . . 25.0 111.355 179.769 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.85 -24.18 65.23 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-O 121.196 0.522 . . . . 25.0 110.77 177.459 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 40.4 tt0 -72.54 -16.26 61.77 Favored 'General case' 0 C--O 1.214 -0.767 0 CA-C-O 121.535 0.683 . . . . 25.0 112.115 178.368 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 56.1 mm-40 -108.69 -43.58 4.23 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.551 0.574 . . . . 25.0 112.551 -179.318 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 30.4 m-85 -122.85 68.16 33.11 Favored Pre-proline 0 C--O 1.251 1.149 0 CA-C-N 116.417 -0.356 . . . . 25.0 110.903 -179.426 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -66.64 136.24 41.71 Favored 'Trans proline' 0 C--O 1.217 -0.56 0 C-N-CA 116.386 -1.943 . . . . 25.0 112.804 -176.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 82.29 -15.32 29.37 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 115.128 0.811 . . . . 25.0 115.128 -179.024 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 10.1 m120 -102.97 85.66 2.57 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 118.098 0.949 . . . . 25.0 111.071 -177.226 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 41.1 t80 -56.95 -44.06 82.17 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.217 0.451 . . . . 25.0 112.217 -177.669 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -60.89 -45.04 96.17 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 122.043 -0.41 . . . . 25.0 111.363 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.494 ' HA ' HD12 ' A' ' 36' ' ' ILE . 9.8 mm100 -68.0 -37.73 81.79 Favored 'General case' 0 C--O 1.245 0.831 0 O-C-N 121.683 -0.636 . . . . 25.0 109.61 -179.205 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 -58.05 -37.56 74.64 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.916 -0.584 . . . . 25.0 109.869 176.019 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 92.9 mm-40 -72.62 -36.62 68.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 121.65 -0.656 . . . . 25.0 111.554 -178.35 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.494 HD12 ' HA ' ' A' ' 33' ' ' GLN . 71.5 mt -60.9 -42.69 93.66 Favored 'Isoleucine or valine' 0 C--O 1.243 0.754 0 N-CA-C 108.536 -0.913 . . . . 25.0 108.536 176.865 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.439 HD23 ' HA ' ' A' ' 23' ' ' ALA . 28.2 tp -67.05 -47.6 70.84 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.801 -0.636 . . . . 25.0 112.26 -178.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.457 HD11 ' HA ' ' A' ' 20' ' ' GLN . 58.5 mt -56.88 -40.51 72.16 Favored 'Isoleucine or valine' 0 C--O 1.244 0.772 0 C-N-CA 122.483 0.313 . . . . 25.0 111.634 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 72.0 mtt85 -59.48 -38.65 81.37 Favored 'General case' 0 N--CA 1.483 1.219 0 O-C-N 121.359 -0.838 . . . . 25.0 112.093 177.043 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -65.26 -43.03 92.58 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-O 121.354 0.597 . . . . 25.0 111.162 179.133 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 63.6 mt -63.05 -42.43 99.7 Favored 'General case' 0 N--CA 1.478 0.937 0 CA-C-O 121.479 0.657 . . . . 25.0 110.479 -178.793 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -67.64 -41.3 84.11 Favored 'General case' 0 N--CA 1.443 -0.785 0 CA-C-N 115.112 -0.949 . . . . 25.0 110.376 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -66.78 -44.57 80.96 Favored 'General case' 0 CA--C 1.541 0.612 0 O-C-N 121.96 -0.463 . . . . 25.0 111.339 -179.166 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 10.9 mm100 -57.07 -39.88 75.83 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.342 0.591 . . . . 25.0 109.7 178.433 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 3.4 t-80 -83.57 -16.04 46.88 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 113.572 0.953 . . . . 25.0 113.572 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 76.3 t80 -72.76 -33.88 66.62 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 108.161 -1.051 . . . . 25.0 108.161 175.557 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 65.7 mt-30 -59.68 -46.4 89.17 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 108.872 -0.788 . . . . 25.0 108.872 176.137 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 23.6 tt0 -63.82 -40.41 96.55 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-O 121.506 0.67 . . . . 25.0 110.441 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 32.5 t80 -61.61 -40.0 93.28 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-O 121.313 0.577 . . . . 25.0 110.733 178.785 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.508 0 O-C-N 122.004 -0.435 . . . . 25.0 111.406 178.135 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 35.1 ttpt . . . . . 0 CA--C 1.539 0.554 0 N-CA-C 113.87 1.063 . . . . 25.0 113.87 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.3 pp0? -62.28 -28.69 69.89 Favored 'General case' 0 C--O 1.21 -0.993 0 O-C-N 121.786 -0.571 . . . . 25.0 112.488 -177.621 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 91.1 mt-30 -64.72 -40.56 95.54 Favored 'General case' 0 CA--C 1.514 -0.412 0 CA-C-O 121.895 0.855 . . . . 25.0 109.327 179.036 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 31.3 mt -72.41 -42.72 64.69 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.719 0 N-CA-C 108.592 -0.892 . . . . 25.0 108.592 -178.112 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 73.3 mtp -64.13 -35.93 82.38 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.566 -0.454 . . . . 25.0 111.524 -179.657 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.78 -40.84 88.33 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.159 0.505 . . . . 25.0 109.792 177.121 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.7 -46.43 88.16 Favored 'General case' 0 CA--C 1.538 0.514 0 N-CA-C 109.682 -0.488 . . . . 25.0 109.682 177.758 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 91.9 mt -66.65 -30.77 71.12 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.958 -0.297 . . . . 25.0 110.617 -179.747 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -59.63 -45.24 92.56 Favored 'General case' 0 C--O 1.221 -0.421 0 CA-C-O 121.418 0.628 . . . . 25.0 109.805 176.257 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 43.5 t -66.52 -42.95 86.51 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.699 -0.682 . . . . 25.0 111.573 -179.051 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 87.3 mm-40 -65.6 -38.15 88.64 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 112.523 0.564 . . . . 25.0 112.523 -179.191 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 69.7 p -99.36 4.28 46.29 Favored 'General case' 0 N--CA 1.471 0.581 0 N-CA-C 114.201 1.186 . . . . 25.0 114.201 -173.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -47.73 -73.53 0.04 OUTLIER 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 114.713 1.375 . . . . 25.0 114.713 -174.722 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.9 p -70.28 -27.65 32.71 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.694 0 CA-C-O 121.368 0.604 . . . . 25.0 110.746 -178.605 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 45.1 tt0 -60.85 -45.96 92.47 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.519 0.676 . . . . 25.0 111.566 -178.164 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 12.6 m-30 -84.85 -21.2 29.9 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 116.152 -0.476 . . . . 25.0 110.584 -178.743 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.502 ' HA ' HD11 ' A' ' 38' ' ' ILE . 50.5 tt0 -62.57 -47.39 84.05 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 111.96 0.355 . . . . 25.0 111.96 178.672 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -66.62 -36.17 81.94 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.782 -0.451 . . . . 25.0 109.782 -178.058 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 84.0 t80 -66.52 -41.97 88.0 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 120.4 -0.52 . . . . 25.0 111.545 175.488 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.67 -38.13 89.13 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.297 0.57 . . . . 25.0 109.961 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.82 -25.59 66.52 Favored 'General case' 0 C--O 1.213 -0.833 0 CA-C-N 116.065 -0.516 . . . . 25.0 111.841 178.636 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -76.5 -18.06 58.94 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 116.204 -0.453 . . . . 25.0 111.991 178.231 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 95.4 mm-40 -103.29 -46.37 4.62 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.498 0.666 . . . . 25.0 111.739 -178.177 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 21.7 m-30 -119.13 66.69 8.27 Favored Pre-proline 0 CA--C 1.55 0.957 0 CA-C-N 115.511 -0.768 . . . . 25.0 110.809 179.087 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -65.43 140.32 63.01 Favored 'Trans proline' 0 C--N 1.353 0.798 0 C-N-CA 117.168 -1.421 . . . . 25.0 112.83 -177.803 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 83.82 -17.69 24.98 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 114.463 0.545 . . . . 25.0 114.463 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 11.3 m120 -103.88 80.11 1.72 Allowed 'General case' 0 CA--C 1.503 -0.841 0 CA-C-N 118.244 1.022 . . . . 25.0 110.775 -175.782 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 65.1 t80 -53.66 -44.19 69.46 Favored 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 112.857 0.688 . . . . 25.0 112.857 -178.857 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -60.41 -45.22 94.37 Favored 'General case' 0 CA--C 1.546 0.812 0 O-C-N 122.062 -0.398 . . . . 25.0 111.597 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 87.7 mm-40 -71.53 -34.22 69.86 Favored 'General case' 0 CA--C 1.5 -0.948 0 C-N-CA 121.028 -0.269 . . . . 25.0 111.076 -178.704 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 66.6 mt-30 -58.5 -36.98 74.64 Favored 'General case' 0 N--CA 1.441 -0.913 0 O-C-N 123.4 0.437 . . . . 25.0 110.166 175.058 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -74.34 -38.65 63.2 Favored 'General case' 0 N--CA 1.476 0.833 0 O-C-N 122.115 -0.366 . . . . 25.0 110.55 -176.726 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 67.1 mt -62.42 -42.24 94.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 N-CA-C 109.138 -0.689 . . . . 25.0 109.138 176.492 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 46.2 tp -63.82 -47.29 81.41 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.942 -0.572 . . . . 25.0 111.159 178.639 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.502 HD11 ' HA ' ' A' ' 20' ' ' GLN . 50.0 mt -57.81 -38.62 66.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 111.746 0.276 . . . . 25.0 111.746 178.127 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -59.13 -42.79 91.44 Favored 'General case' 0 N--CA 1.474 0.757 0 O-C-N 121.709 -0.62 . . . . 25.0 109.729 175.562 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -64.85 -43.35 93.31 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 120.773 0.32 . . . . 25.0 110.884 179.055 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 79.1 mt -63.41 -38.03 89.55 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.779 0.323 . . . . 25.0 110.361 -178.604 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -68.66 -37.39 79.61 Favored 'General case' 0 C--N 1.329 -0.321 0 O-C-N 122.198 -0.314 . . . . 25.0 111.101 178.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -67.83 -39.82 83.82 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 120.57 -0.452 . . . . 25.0 110.381 178.116 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -65.77 -42.32 90.96 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-O 121.261 0.553 . . . . 25.0 109.526 175.165 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 64.5 t60 -61.64 -30.07 70.47 Favored 'General case' 0 CA--C 1.538 0.489 0 O-C-N 122.077 -0.389 . . . . 25.0 111.908 177.32 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 59.6 t80 -66.64 -34.91 78.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 121.882 -0.511 . . . . 25.0 110.848 177.135 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 82.4 mt-30 -64.24 -40.81 96.8 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 121.387 -0.821 . . . . 25.0 109.933 177.062 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 40.7 tt0 -62.68 -42.24 99.52 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 109.566 -0.531 . . . . 25.0 109.566 176.461 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 14.1 t80 -62.42 -39.13 92.32 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.183 0.516 . . . . 25.0 110.612 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.331 -0.218 0 O-C-N 121.126 -0.984 . . . . 25.0 111.264 179.037 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.404 ' HA ' HD12 ' A' ' 7' ' ' ILE . 96.9 mttt . . . . . 0 N--CA 1.464 0.248 0 N-CA-C 112.167 0.432 . . . . 25.0 112.167 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 30.3 pt20 -70.13 -24.14 63.14 Favored 'General case' 0 C--O 1.216 -0.685 0 N-CA-C 112.45 0.537 . . . . 25.0 112.45 -179.031 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -71.69 -33.33 68.71 Favored 'General case' 0 C--O 1.219 -0.51 0 O-C-N 121.841 -0.537 . . . . 25.0 110.002 178.907 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.404 HD12 ' HA ' ' A' ' 4' ' ' LYS . 40.8 mt -66.61 -43.0 90.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 107.264 -1.384 . . . . 25.0 107.264 177.047 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 80.9 mmm -63.27 -35.97 82.13 Favored 'General case' 0 C--O 1.211 -0.974 0 CA-C-N 116.068 -0.514 . . . . 25.0 112.059 177.552 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.46 -39.5 92.09 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-O 121.283 0.563 . . . . 25.0 110.682 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.35 -46.77 72.44 Favored 'General case' 0 C--O 1.235 0.312 0 N-CA-C 109.48 -0.563 . . . . 25.0 109.48 177.452 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 51.2 mt -61.16 -40.66 94.68 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.41 -0.814 . . . . 25.0 111.144 -179.462 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -59.26 -45.45 91.17 Favored 'General case' 0 C--O 1.219 -0.52 0 O-C-N 121.804 -0.56 . . . . 25.0 110.754 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 38.0 m -68.35 -45.96 71.43 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 112.06 0.392 . . . . 25.0 112.06 -178.405 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 16.3 pt20 -74.21 -14.15 60.9 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 113.243 0.831 . . . . 25.0 113.243 -173.741 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 81.0 p -113.2 0.52 14.92 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.249 0.463 . . . . 25.0 112.249 178.608 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -51.8 -68.05 0.2 Allowed 'General case' 0 C--O 1.215 -0.744 0 N-CA-C 113.388 0.884 . . . . 25.0 113.388 -174.095 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.5 p -69.64 -27.71 34.72 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.809 0 CA-C-O 121.255 0.55 . . . . 25.0 111.247 -177.481 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -68.95 -44.89 72.08 Favored 'General case' 0 C--O 1.222 -0.392 0 O-C-N 121.565 -0.709 . . . . 25.0 111.119 -177.396 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 15.0 m-30 -78.8 -21.5 47.7 Favored 'General case' 0 C--O 1.211 -0.922 0 O-C-N 121.51 -0.744 . . . . 25.0 109.936 177.562 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.417 ' HA ' HD11 ' A' ' 38' ' ' ILE . 27.9 tt0 -61.8 -44.11 97.52 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 118.355 0.525 . . . . 25.0 110.165 177.145 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -64.12 -36.99 85.85 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.338 0.59 . . . . 25.0 111.092 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 79.2 t80 -68.48 -43.13 77.6 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 121.956 -0.465 . . . . 25.0 111.114 176.194 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.01 -35.46 80.3 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.908 0.385 . . . . 25.0 111.387 -178.322 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.97 -25.36 65.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.034 -0.53 . . . . 25.0 111.093 179.587 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -74.61 -26.91 60.22 Favored 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 122.629 0.371 . . . . 25.0 110.782 178.021 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -93.84 -47.07 6.92 Favored 'General case' 0 C--O 1.214 -0.771 0 CA-C-N 116.158 -0.474 . . . . 25.0 111.888 -176.2 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -121.58 67.96 21.27 Favored Pre-proline 0 C--N 1.326 -0.449 0 CA-C-N 115.902 -0.59 . . . . 25.0 110.444 -178.628 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -67.53 139.45 49.0 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 115.41 -2.593 . . . . 25.0 112.51 -176.596 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 82.12 -24.05 4.93 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 114.851 0.7 . . . . 25.0 114.851 -179.406 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -95.49 85.16 4.13 Favored 'General case' 0 CA--C 1.512 -0.483 0 CA-C-N 117.993 0.897 . . . . 25.0 109.966 -176.756 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 11.1 t80 -54.56 -43.26 71.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.292 -0.867 . . . . 25.0 111.805 -179.092 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -60.37 -46.77 88.76 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 112.059 0.392 . . . . 25.0 112.059 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 95.8 mm-40 -70.12 -35.01 73.79 Favored 'General case' 0 C--N 1.321 -0.643 0 O-C-N 121.935 -0.478 . . . . 25.0 110.922 -179.168 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 59.6 mt-30 -57.7 -39.29 76.84 Favored 'General case' 0 C--N 1.315 -0.898 0 N-CA-C 109.568 -0.53 . . . . 25.0 109.568 175.108 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 96.6 mm-40 -72.17 -39.57 68.58 Favored 'General case' 0 N--CA 1.481 1.099 0 O-C-N 121.666 -0.646 . . . . 25.0 110.036 -177.359 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 78.6 mt -62.21 -42.94 97.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 N-CA-C 109.075 -0.713 . . . . 25.0 109.075 178.582 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 33.8 tp -62.56 -51.72 66.27 Favored 'General case' 0 C--O 1.209 -1.059 0 N-CA-C 109.886 -0.412 . . . . 25.0 109.886 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.417 HD11 ' HA ' ' A' ' 20' ' ' GLN . 58.5 mt -56.44 -40.69 69.08 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 CA-C-O 121.002 0.429 . . . . 25.0 111.536 179.627 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 70.5 ttt-85 -61.88 -39.72 92.89 Favored 'General case' 0 C--N 1.321 -0.635 0 O-C-N 122.213 -0.304 . . . . 25.0 110.63 179.098 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -71.99 -39.79 69.03 Favored 'General case' 0 CA--C 1.536 0.436 0 N-CA-C 111.492 0.182 . . . . 25.0 111.492 176.413 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 93.0 mt -60.75 -42.22 96.98 Favored 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 109.537 -0.542 . . . . 25.0 109.537 179.56 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -66.01 -35.17 79.83 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 119.533 -0.27 . . . . 25.0 110.931 179.393 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 82.9 tt0 -70.23 -43.1 71.33 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 117.907 0.322 . . . . 25.0 111.837 179.23 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -66.63 -39.11 88.13 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.883 0.849 . . . . 25.0 109.519 178.734 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 44.1 t-80 -65.42 -31.19 72.16 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.97 -0.559 . . . . 25.0 110.647 176.121 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 41.6 t80 -61.45 -37.77 84.76 Favored 'General case' 0 N--CA 1.472 0.65 0 O-C-N 121.98 -0.45 . . . . 25.0 110.887 179.723 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 80.2 mt-30 -62.6 -43.33 99.09 Favored 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 109.782 -0.451 . . . . 25.0 109.782 179.078 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 11.6 tm0? -66.25 -42.08 89.05 Favored 'General case' 0 C--O 1.222 -0.365 0 N-CA-C 109.862 -0.421 . . . . 25.0 109.862 178.825 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 23.3 t80 -60.43 -43.27 96.94 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.061 -0.518 . . . . 25.0 109.8 -179.457 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.316 -0.874 0 CA-C-N 116.794 -0.184 . . . . 25.0 111.432 177.58 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 26.1 mtmm . . . . . 0 C--O 1.237 0.41 0 N-CA-C 111.363 0.134 . . . . 25.0 111.363 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 25.2 pt20 -69.98 -23.96 63.24 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 112.872 0.693 . . . . 25.0 112.872 -178.773 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -68.43 -35.7 78.01 Favored 'General case' 0 CA--C 1.511 -0.529 0 N-CA-C 109.16 -0.681 . . . . 25.0 109.16 179.359 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 24.8 mt -65.38 -39.57 85.66 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.502 0 N-CA-C 108.43 -0.952 . . . . 25.0 108.43 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 93.4 mmm -62.12 -44.22 97.13 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 122.07 -0.394 . . . . 25.0 110.603 177.919 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.65 -35.28 80.51 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-O 120.754 0.311 . . . . 25.0 111.179 178.749 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.11 -40.97 78.0 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.921 0.391 . . . . 25.0 110.213 178.325 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 54.4 mt -65.38 -33.7 76.57 Favored 'General case' 0 C--O 1.217 -0.657 0 O-C-N 121.991 -0.443 . . . . 25.0 110.988 -178.455 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -59.8 -37.81 80.18 Favored 'General case' 0 C--O 1.215 -0.727 0 CA-C-O 121.252 0.548 . . . . 25.0 110.798 177.647 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 36.9 t -75.21 -42.43 55.58 Favored 'General case' 0 C--O 1.22 -0.454 0 O-C-N 121.69 -0.632 . . . . 25.0 112.317 175.748 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 60.7 mt-30 -64.62 -40.94 96.37 Favored 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 114.334 1.235 . . . . 25.0 114.334 -175.691 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 81.6 p -102.62 6.32 39.65 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-N 115.871 -0.604 . . . . 25.0 111.9 -173.438 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -43.04 -69.03 0.15 Allowed 'General case' 0 C--O 1.242 0.67 0 N-CA-C 114.708 1.373 . . . . 25.0 114.708 -174.746 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.9 p -74.63 -28.02 21.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 121.79 -0.569 . . . . 25.0 111.607 -174.833 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -58.98 -48.21 82.37 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.886 -0.413 . . . . 25.0 109.886 179.626 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 19.1 m-30 -80.46 -29.48 37.48 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 120.895 -0.322 . . . . 25.0 110.967 179.603 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.483 ' HA ' HD11 ' A' ' 38' ' ' ILE . 15.8 tt0 -62.93 -43.17 99.52 Favored 'General case' 0 C--O 1.221 -0.431 0 O-C-N 121.788 -0.57 . . . . 25.0 112.493 -179.444 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -65.56 -39.11 91.31 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 120.61 -0.436 . . . . 25.0 110.534 -179.633 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 54.9 t80 -67.25 -39.99 86.23 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.872 0.368 . . . . 25.0 111.023 177.146 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.41 ' HA ' HD23 ' A' ' 37' ' ' LEU . . . -64.87 -36.49 84.51 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.673 0.273 . . . . 25.0 110.748 179.061 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.29 -29.81 66.66 Favored 'General case' 0 C--O 1.205 -1.282 0 CA-C-N 116.607 -0.269 . . . . 25.0 110.48 179.217 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -70.12 -31.48 69.05 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.226 0.536 . . . . 25.0 110.208 178.261 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 9.2 mm100 -87.82 -46.88 9.05 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 115.858 -0.61 . . . . 25.0 111.394 -175.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -122.17 68.92 28.48 Favored Pre-proline 0 C--O 1.242 0.669 0 CA-C-N 116.378 -0.374 . . . . 25.0 110.43 -178.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -68.7 140.07 45.84 Favored 'Trans proline' 0 C--O 1.216 -0.608 0 C-N-CA 116.484 -1.877 . . . . 25.0 113.048 -178.825 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 86.0 -22.2 12.98 Favored Glycine 0 C--O 1.216 -1.009 0 CA-C-N 115.393 -0.821 . . . . 25.0 115.09 -178.227 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -103.99 85.24 2.37 Favored 'General case' 0 CA--C 1.507 -0.703 0 CA-C-N 118.518 1.159 . . . . 25.0 111.818 -175.198 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 39.5 t80 -51.15 -43.87 61.3 Favored 'General case' 0 C--O 1.218 -0.565 0 C-N-CA 122.459 0.304 . . . . 25.0 111.153 179.085 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 19.1 pt-20 -61.2 -43.31 99.08 Favored 'General case' 0 C--O 1.213 -0.847 0 N-CA-C 113.242 0.83 . . . . 25.0 113.242 -178.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 87.8 mm-40 -71.51 -35.35 70.71 Favored 'General case' 0 CA--C 1.507 -0.677 0 N-CA-C 109.728 -0.471 . . . . 25.0 109.728 -179.01 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 64.6 mt-30 -58.63 -37.83 76.74 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.06 -1.089 . . . . 25.0 108.06 176.544 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 76.1 mm-40 -73.57 -36.91 65.64 Favored 'General case' 0 N--CA 1.47 0.565 0 O-C-N 121.529 -0.732 . . . . 25.0 111.289 -175.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 75.3 mt -62.12 -43.93 98.39 Favored 'Isoleucine or valine' 0 C--O 1.238 0.5 0 N-CA-C 108.701 -0.852 . . . . 25.0 108.701 177.664 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.41 HD23 ' HA ' ' A' ' 23' ' ' ALA . 40.7 tp -64.47 -48.96 73.26 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.552 -0.459 . . . . 25.0 110.81 -179.786 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.483 HD11 ' HA ' ' A' ' 20' ' ' GLN . 83.5 mt -58.92 -38.25 72.12 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.598 0 N-CA-C 111.914 0.338 . . . . 25.0 111.914 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 61.9 mtp180 -57.33 -43.58 83.47 Favored 'General case' 0 C--N 1.327 -0.381 0 O-C-N 121.739 -0.601 . . . . 25.0 110.565 178.212 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 82.7 mt-30 -77.21 -30.47 54.72 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 112.229 0.455 . . . . 25.0 112.229 -178.332 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 91.3 mt -64.21 -41.33 97.09 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.637 0.732 . . . . 25.0 109.082 177.115 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 21.4 mt-30 -69.39 -37.29 77.45 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.985 -0.552 . . . . 25.0 110.193 179.576 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 48.8 tt0 -61.92 -45.11 95.12 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.819 0.818 . . . . 25.0 109.853 178.917 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 14.4 tp60 -65.68 -38.04 88.15 Favored 'General case' 0 C--N 1.321 -0.662 0 O-C-N 121.292 -0.88 . . . . 25.0 112.173 -179.347 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 60.4 t60 -65.61 -26.38 67.8 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.222 0.534 . . . . 25.0 112.054 -178.69 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 19.6 t80 -60.12 -32.54 71.11 Favored 'General case' 0 C--O 1.243 0.757 0 N-CA-C 113.089 0.774 . . . . 25.0 113.089 179.334 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 -61.45 -40.23 93.72 Favored 'General case' 0 N--CA 1.478 0.956 0 CA-C-N 116.537 -0.301 . . . . 25.0 110.509 -179.573 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -71.61 -36.39 70.78 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.986 0.422 . . . . 25.0 110.263 -178.468 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 18.1 t80 -60.87 -41.11 95.31 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.302 0.572 . . . . 25.0 109.706 176.498 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.322 -0.603 0 O-C-N 121.865 -0.522 . . . . 25.0 111.093 179.744 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 58.3 mtmt . . . . . 0 C--O 1.221 -0.437 0 N-CA-C 111.862 0.319 . . . . 25.0 111.862 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -62.8 -26.41 68.72 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 112.76 0.652 . . . . 25.0 112.76 177.024 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -67.18 -38.6 85.68 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.093 -0.706 . . . . 25.0 109.093 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 38.4 mt -69.17 -43.34 81.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 108.322 -0.992 . . . . 25.0 108.322 179.642 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 66.5 mmm -60.64 -42.06 96.16 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 116.222 -0.445 . . . . 25.0 111.822 179.465 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.59 -40.33 95.34 Favored 'General case' 0 C--O 1.242 0.703 0 CA-C-O 121.511 0.672 . . . . 25.0 110.879 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.85 -45.9 80.47 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 115.87 -0.605 . . . . 25.0 110.837 -179.486 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 74.7 mt -62.67 -41.37 99.05 Favored 'General case' 0 C--O 1.232 0.148 0 C-N-CA 120.787 -0.365 . . . . 25.0 110.267 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 6.0 m-80 -61.38 -36.08 79.25 Favored 'General case' 0 CA--C 1.511 -0.557 0 CA-C-O 121.087 0.47 . . . . 25.0 109.858 -179.582 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 21.6 m -68.76 -45.0 72.53 Favored 'General case' 0 C--O 1.208 -1.08 0 CA-C-O 121.565 0.698 . . . . 25.0 112.248 177.465 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 31.0 mm100 -66.69 -25.15 66.41 Favored 'General case' 0 C--O 1.235 0.313 0 N-CA-C 113.513 0.931 . . . . 25.0 113.513 -175.319 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 56.0 p -118.96 10.94 12.37 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 113.121 0.785 . . . . 25.0 113.121 -174.342 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.51 -66.21 0.42 Allowed 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 113.146 0.795 . . . . 25.0 113.146 -177.026 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 10.9 p -70.79 -28.55 34.34 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.765 0 CA-C-O 121.996 0.903 . . . . 25.0 109.961 -176.711 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 39.9 tt0 -61.14 -45.42 94.71 Favored 'General case' 0 C--O 1.218 -0.589 0 CA-C-O 121.885 0.85 . . . . 25.0 111.109 -178.443 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 19.0 m-30 -78.3 -26.03 46.82 Favored 'General case' 0 CA--C 1.504 -0.795 0 CA-C-N 115.794 -0.639 . . . . 25.0 110.981 177.838 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 44.5 tt0 -64.21 -41.09 97.19 Favored 'General case' 0 N--CA 1.472 0.631 0 O-C-N 121.305 -0.872 . . . . 25.0 110.34 178.123 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 82.9 mt-30 -63.95 -41.14 97.68 Favored 'General case' 0 C--O 1.241 0.655 0 CA-C-N 116.27 -0.423 . . . . 25.0 110.779 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 57.2 t80 -67.22 -41.64 85.38 Favored 'General case' 0 C--O 1.208 -1.097 0 CA-C-O 121.691 0.758 . . . . 25.0 110.49 177.353 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.59 -41.28 97.2 Favored 'General case' 0 C--N 1.344 0.336 0 CA-C-N 115.867 -0.606 . . . . 25.0 109.453 -178.529 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.44 -30.22 69.05 Favored 'General case' 0 C--O 1.207 -1.149 0 CA-C-O 121.102 0.477 . . . . 25.0 110.768 -179.777 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -69.45 -26.36 64.55 Favored 'General case' 0 C--N 1.311 -1.089 0 CA-C-N 116.262 -0.426 . . . . 25.0 110.891 179.113 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 28.4 mm100 -95.49 -41.93 8.71 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 113.398 0.888 . . . . 25.0 113.398 -176.838 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 24.6 m-85 -122.89 68.39 34.09 Favored Pre-proline 0 C--O 1.253 1.27 0 CA-C-O 121.688 0.756 . . . . 25.0 111.299 179.749 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_endo -71.07 138.27 33.35 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 115.91 -2.26 . . . . 25.0 113.231 -177.491 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 82.95 -9.35 60.38 Favored Glycine 0 N--CA 1.463 0.461 0 O-C-N 121.942 -0.474 . . . . 25.0 114.268 -178.347 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -114.16 81.41 1.53 Allowed 'General case' 0 C--O 1.227 -0.112 0 O-C-N 121.784 -0.833 . . . . 25.0 111.71 -176.549 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 11.1 t80 -54.19 -39.64 66.82 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.721 -0.672 . . . . 25.0 111.651 179.689 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -60.27 -45.98 91.41 Favored 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 112.437 0.532 . . . . 25.0 112.437 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -73.64 -32.49 64.06 Favored 'General case' 0 CA--C 1.503 -0.833 0 O-C-N 121.755 -0.591 . . . . 25.0 111.39 -177.652 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 66.6 mt-30 -60.18 -38.66 83.91 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.61 -0.723 . . . . 25.0 110.755 173.885 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 93.0 mm-40 -72.2 -36.92 69.32 Favored 'General case' 0 C--N 1.32 -0.695 0 O-C-N 122.07 -0.394 . . . . 25.0 110.755 -178.3 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 65.1 mt -66.17 -46.32 87.86 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.427 0 N-CA-C 109.988 -0.375 . . . . 25.0 109.988 178.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 19.7 tp -55.98 -46.53 78.65 Favored 'General case' 0 C--O 1.244 0.792 0 N-CA-C 113.204 0.816 . . . . 25.0 113.204 -177.059 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 68.1 mt -56.63 -35.21 44.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 C-N-CA 122.907 0.483 . . . . 25.0 111.346 -178.803 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 89.5 mtt180 -60.68 -44.71 96.18 Favored 'General case' 0 N--CA 1.471 0.581 0 O-C-N 121.456 -0.777 . . . . 25.0 111.338 178.887 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.5 mp0 -66.94 -39.08 87.21 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.943 -0.571 . . . . 25.0 111.546 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 92.0 mt -59.75 -50.09 75.19 Favored 'General case' 0 C--N 1.312 -1.042 0 CA-C-O 121.276 0.56 . . . . 25.0 110.206 177.684 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 45.8 mm-40 -61.44 -42.21 98.39 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.438 -0.347 . . . . 25.0 111.68 -176.623 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 63.5 tt0 -65.26 -45.42 84.6 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 109.512 -0.551 . . . . 25.0 109.512 -178.108 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 40.5 tt0 -64.77 -41.07 96.14 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-O 121.601 0.715 . . . . 25.0 112.229 -179.505 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 20.2 m80 -66.9 -21.6 65.99 Favored 'General case' 0 C--O 1.241 0.647 0 O-C-N 121.245 -0.909 . . . . 25.0 112.533 -176.81 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 41.5 t80 -60.88 -32.38 71.83 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-O 122.178 0.99 . . . . 25.0 112.839 173.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -61.89 -42.58 99.24 Favored 'General case' 0 N--CA 1.482 1.156 0 O-C-N 121.773 -0.58 . . . . 25.0 109.805 -179.454 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 40.6 tt0 -68.36 -36.65 79.54 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.98 -0.555 . . . . 25.0 110.461 -179.602 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 20.9 t80 -62.73 -36.55 83.36 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.94 0.4 . . . . 25.0 111.644 178.237 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.54 0.558 0 C-N-CA 120.182 -0.607 . . . . 25.0 110.421 176.29 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 56.1 mtmt . . . . . 0 C--O 1.222 -0.359 0 N-CA-C 114.292 1.219 . . . . 25.0 114.292 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 92.2 mt-30 -69.44 -24.46 63.82 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 112.094 0.405 . . . . 25.0 112.094 179.791 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 67.5 mm-40 -66.65 -39.33 88.19 Favored 'General case' 0 N--CA 1.466 0.374 0 N-CA-C 108.042 -1.096 . . . . 25.0 108.042 176.794 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 57.5 mt -67.77 -41.27 85.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 108.959 -0.756 . . . . 25.0 108.959 -179.779 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 87.7 mtp -63.63 -32.62 74.16 Favored 'General case' 0 C--N 1.321 -0.632 0 O-C-N 121.645 -0.66 . . . . 25.0 112.101 178.914 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.17 -38.86 78.92 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.784 0.326 . . . . 25.0 110.143 178.017 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.1 -42.02 85.27 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-O 120.889 0.376 . . . . 25.0 110.199 178.793 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 73.2 mt -63.06 -37.49 87.42 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-N 116.045 -0.525 . . . . 25.0 109.751 177.697 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -59.32 -38.46 80.33 Favored 'General case' 0 C--O 1.216 -0.692 0 C-N-CA 121.141 -0.224 . . . . 25.0 111.315 179.062 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 46.4 t -68.9 -44.92 72.23 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.347 0.594 . . . . 25.0 110.73 -179.708 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 94.4 mm-40 -65.66 -28.94 69.46 Favored 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 113.922 1.082 . . . . 25.0 113.922 -178.727 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 69.6 p -110.56 6.25 21.77 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 113.576 0.954 . . . . 25.0 113.576 -174.179 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.28 -72.5 0.05 Allowed 'General case' 0 C--O 1.219 -0.503 0 N-CA-C 113.096 0.776 . . . . 25.0 113.096 -174.815 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.0 p -69.74 -25.92 29.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 121.195 0.521 . . . . 25.0 109.821 -176.665 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 15.9 tt0 -59.88 -50.63 73.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.903 -0.589 . . . . 25.0 110.48 -179.604 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 19.5 m-30 -85.7 -20.82 28.8 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.191 -0.459 . . . . 25.0 111.077 -178.066 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 60.4 tt0 -61.64 -48.61 80.1 Favored 'General case' 0 N--CA 1.473 0.691 0 O-C-N 121.684 -0.635 . . . . 25.0 112.024 178.406 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 96.2 mm-40 -67.44 -34.91 78.19 Favored 'General case' 0 N--CA 1.451 -0.383 0 N-CA-C 109.349 -0.611 . . . . 25.0 109.349 -177.277 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 64.1 t80 -66.29 -43.02 87.54 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 121.735 -0.603 . . . . 25.0 111.109 175.357 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.3 -37.86 88.98 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 121.948 -0.47 . . . . 25.0 110.531 -177.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.44 -28.23 68.44 Favored 'General case' 0 C--O 1.216 -0.658 0 CA-C-N 116.699 -0.228 . . . . 25.0 110.643 177.05 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 21.1 tt0 -73.11 -20.54 60.91 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.179 -0.464 . . . . 25.0 111.418 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 97.8 mm-40 -100.32 -49.19 4.33 Favored 'General case' 0 N--CA 1.475 0.818 0 CA-C-N 116.12 -0.491 . . . . 25.0 111.116 -178.512 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 18.9 m-85 -119.62 69.9 12.56 Favored Pre-proline 0 C--O 1.247 0.95 0 CA-C-O 121.05 0.452 . . . . 25.0 110.875 -178.045 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 69.0 Cg_endo -70.08 141.84 44.97 Favored 'Trans proline' 0 C--O 1.212 -0.791 0 C-N-CA 116.393 -1.938 . . . . 25.0 112.862 -178.38 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 81.32 -9.47 54.37 Favored Glycine 0 CA--C 1.526 0.75 0 N-CA-C 114.931 0.733 . . . . 25.0 114.931 -179.01 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -111.35 83.49 1.78 Allowed 'General case' 0 CA--C 1.512 -0.518 0 O-C-N 121.695 -0.885 . . . . 25.0 110.866 -175.508 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 59.0 t80 -54.05 -47.52 71.55 Favored 'General case' 0 N--CA 1.466 0.327 0 N-CA-C 112.048 0.388 . . . . 25.0 112.048 -178.54 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -58.12 -44.87 87.96 Favored 'General case' 0 C--O 1.247 0.923 0 O-C-N 121.807 -0.558 . . . . 25.0 111.947 -176.904 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 91.1 mt-30 -69.98 -36.95 75.59 Favored 'General case' 0 CA--C 1.503 -0.861 0 CA-C-N 116.334 -0.394 . . . . 25.0 111.048 -177.269 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 70.5 mt-30 -59.37 -37.26 77.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.967 -0.561 . . . . 25.0 110.303 177.632 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 28.5 mm-40 -70.59 -39.68 73.71 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.254 0.549 . . . . 25.0 109.937 -176.89 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 77.0 mt -62.25 -43.36 97.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.326 -0.397 . . . . 25.0 109.99 177.735 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 36.8 tp -63.21 -45.96 89.24 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.089 -0.505 . . . . 25.0 111.059 -177.696 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 64.1 mt -59.03 -40.65 81.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.463 -0.335 . . . . 25.0 111.515 178.185 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 35.6 mtp180 -62.23 -42.77 99.61 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 120.265 -0.574 . . . . 25.0 109.645 178.798 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 62.0 tt0 -59.97 -42.43 94.11 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-O 121.032 0.444 . . . . 25.0 110.486 179.051 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 51.1 mt -64.23 -42.92 96.34 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.35 -0.386 . . . . 25.0 110.101 179.677 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -71.31 -39.1 71.66 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 113.26 0.837 . . . . 25.0 113.26 -178.445 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -68.53 -38.32 80.75 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.844 0.354 . . . . 25.0 110.797 179.576 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 19.5 mm100 -66.04 -42.96 88.86 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-O 121.072 0.463 . . . . 25.0 110.251 172.815 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 25.1 t60 -62.87 -28.22 69.89 Favored 'General case' 0 C--N 1.328 -0.36 0 O-C-N 122.128 -0.357 . . . . 25.0 110.88 179.31 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 59.9 t80 -58.12 -42.7 86.36 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 121.784 -0.573 . . . . 25.0 110.956 -179.417 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 93.0 mm-40 -66.28 -41.81 89.3 Favored 'General case' 0 C--O 1.251 1.18 0 N-CA-C 109.502 -0.555 . . . . 25.0 109.502 -179.405 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 37.7 tt0 -62.26 -41.91 98.86 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 121.081 0.467 . . . . 25.0 110.76 178.699 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 56.7 t80 -66.53 -38.98 88.32 Favored 'General case' 0 C--O 1.217 -0.611 0 CA-C-N 116.141 -0.481 . . . . 25.0 111.753 179.495 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 121.996 -0.44 . . . . 25.0 110.902 178.549 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 25.7 mtpp . . . . . 0 C--O 1.222 -0.356 0 N-CA-C 115.15 1.537 . . . . 25.0 115.15 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 65.7 mt-30 -65.71 -24.42 66.98 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 113.82 1.044 . . . . 25.0 113.82 -176.153 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 -61.21 -42.61 98.89 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.963 0.887 . . . . 25.0 109.179 177.689 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 28.7 mt -70.52 -40.21 77.08 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.492 0 CA-C-N 115.062 -0.972 . . . . 25.0 109.141 -178.514 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 87.3 mtp -59.28 -52.93 63.52 Favored 'General case' 0 C--O 1.22 -0.485 0 CA-C-N 116.372 -0.376 . . . . 25.0 110.533 179.136 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.33 -39.23 86.31 Favored 'General case' 0 C--N 1.322 -0.616 0 O-C-N 123.279 0.362 . . . . 25.0 111.365 -178.029 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.56 -44.82 96.34 Favored 'General case' 0 C--N 1.322 -0.618 0 C-N-CA 120.394 -0.522 . . . . 25.0 110.154 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 91.9 mt -71.29 -41.1 70.39 Favored 'General case' 0 C--O 1.22 -0.449 0 CA-C-O 120.707 0.289 . . . . 25.0 111.161 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -63.9 -31.33 72.47 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 116.67 -0.241 . . . . 25.0 111.569 -175.61 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 50.8 m -63.65 -34.56 78.11 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.229 0.538 . . . . 25.0 110.334 -179.402 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 11.5 mm100 -74.76 -20.6 59.75 Favored 'General case' 0 N--CA 1.468 0.433 0 N-CA-C 112.606 0.595 . . . . 25.0 112.606 -179.616 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 66.8 p -114.2 3.27 15.11 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 113.67 0.989 . . . . 25.0 113.67 -174.665 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -54.35 -63.58 1.11 Allowed 'General case' 0 C--O 1.246 0.907 0 N-CA-C 112.939 0.718 . . . . 25.0 112.939 -173.744 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.9 p -72.03 -24.8 22.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 121.425 0.631 . . . . 25.0 111.324 -177.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -61.16 -47.43 86.21 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.737 0.78 . . . . 25.0 110.36 177.81 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 -69.06 -32.15 71.42 Favored 'General case' 0 N--CA 1.439 -1.006 0 CA-C-N 115.951 -0.568 . . . . 25.0 111.419 176.64 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.467 ' HA ' HD11 ' A' ' 38' ' ' ILE . 40.6 tt0 -64.11 -39.16 93.45 Favored 'General case' 0 CA--C 1.533 0.293 0 O-C-N 122.135 -0.353 . . . . 25.0 111.319 -179.249 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 81.5 mt-30 -64.73 -44.39 90.33 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.794 -0.184 . . . . 25.0 110.544 176.852 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 91.1 t80 -65.41 -39.91 92.73 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.233 0.539 . . . . 25.0 110.876 178.831 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.37 -35.36 78.92 Favored 'General case' 0 C--N 1.322 -0.605 0 O-C-N 121.525 -0.734 . . . . 25.0 111.17 179.642 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.33 -28.12 67.71 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 122.105 -0.372 . . . . 25.0 111.625 177.394 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 26.3 tt0 -76.2 -26.06 55.78 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 121.371 0.605 . . . . 25.0 110.831 179.137 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 80.6 mm-40 -90.42 -49.2 6.65 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.579 -0.737 . . . . 25.0 112.46 -177.105 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -122.71 71.87 40.56 Favored Pre-proline 0 C--N 1.331 -0.228 0 CA-C-N 115.882 -0.599 . . . . 25.0 110.248 -177.834 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_endo -70.55 135.59 28.92 Favored 'Trans proline' 0 CA--C 1.532 0.388 0 C-N-CA 116.58 -1.813 . . . . 25.0 112.945 -178.181 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 83.53 -10.94 57.97 Favored Glycine 0 CA--C 1.528 0.893 0 N-CA-C 115.099 0.799 . . . . 25.0 115.099 -178.64 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 21.7 m120 -108.27 86.86 2.37 Favored 'General case' 0 C--O 1.223 -0.291 0 CA-C-N 117.839 0.819 . . . . 25.0 110.617 -178.262 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 71.6 t80 -55.98 -46.67 78.59 Favored 'General case' 0 C--O 1.21 -1.0 0 N-CA-C 112.887 0.699 . . . . 25.0 112.887 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -60.5 -44.11 96.32 Favored 'General case' 0 CA--C 1.541 0.617 0 O-C-N 121.403 -0.811 . . . . 25.0 111.338 -178.512 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -70.22 -34.77 73.3 Favored 'General case' 0 CA--C 1.507 -0.691 0 O-C-N 121.805 -0.559 . . . . 25.0 110.543 -176.734 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 73.0 mt-30 -60.04 -38.19 82.03 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 108.845 -0.798 . . . . 25.0 108.845 174.807 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 76.4 mm-40 -72.09 -38.74 69.31 Favored 'General case' 0 C--O 1.24 0.602 0 N-CA-C 109.283 -0.636 . . . . 25.0 109.283 -174.801 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 82.1 mt -62.28 -43.11 97.65 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.255 0 N-CA-C 108.528 -0.915 . . . . 25.0 108.528 -179.735 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 51.5 tp -63.21 -48.74 77.03 Favored 'General case' 0 C--O 1.215 -0.712 0 C-N-CA 120.75 -0.38 . . . . 25.0 111.248 179.024 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.467 HD11 ' HA ' ' A' ' 20' ' ' GLN . 67.2 mt -56.79 -37.34 53.01 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 O-C-N 122.024 -0.423 . . . . 25.0 111.656 179.737 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 34.6 mmt180 -61.83 -48.46 80.48 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 121.884 -0.51 . . . . 25.0 109.924 176.758 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 49.3 tt0 -60.18 -43.59 95.74 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.367 -0.379 . . . . 25.0 110.663 -179.067 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 72.1 mt -65.04 -36.98 86.1 Favored 'General case' 0 CA--C 1.544 0.74 0 N-CA-C 112.325 0.491 . . . . 25.0 112.325 -178.699 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -63.99 -42.71 97.1 Favored 'General case' 0 C--N 1.322 -0.627 0 O-C-N 121.919 -0.488 . . . . 25.0 110.192 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 90.2 mt-10 -73.99 -36.74 64.54 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.745 0.307 . . . . 25.0 110.856 179.818 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 42.5 tt0 -60.51 -43.34 97.2 Favored 'General case' 0 C--N 1.319 -0.75 0 O-C-N 121.557 -0.714 . . . . 25.0 111.67 176.213 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 9.1 t-80 -65.21 -31.86 73.24 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.692 0.758 . . . . 25.0 110.344 179.465 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 44.0 t80 -72.19 -40.22 68.06 Favored 'General case' 0 C--N 1.314 -0.937 0 O-C-N 121.864 -0.523 . . . . 25.0 110.993 176.859 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -61.53 -38.05 85.99 Favored 'General case' 0 C--N 1.327 -0.394 0 O-C-N 121.632 -0.667 . . . . 25.0 111.262 175.801 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -61.41 -45.35 94.69 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-O 121.454 0.645 . . . . 25.0 110.088 176.658 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 49.4 t80 -63.31 -36.49 83.87 Favored 'General case' 0 CA--C 1.547 0.846 0 O-C-N 121.595 -0.691 . . . . 25.0 110.891 177.719 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.32 -0.678 0 O-C-N 121.704 -0.623 . . . . 25.0 111.813 178.803 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 66.2 mttm . . . . . 0 N--CA 1.469 0.517 0 N-CA-C 116.277 1.954 . . . . 25.0 116.277 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 57.4 mt-30 -67.22 -22.65 65.69 Favored 'General case' 0 C--O 1.212 -0.886 0 N-CA-C 109.41 -0.589 . . . . 25.0 109.41 175.044 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 98.2 mm-40 -61.02 -45.45 94.75 Favored 'General case' 0 C--O 1.207 -1.179 0 CA-C-N 115.658 -0.701 . . . . 25.0 111.566 170.772 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 56.8 mt -65.32 -43.64 94.95 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 N-CA-C 108.603 -0.888 . . . . 25.0 108.603 178.673 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 65.8 mtp -60.33 -38.58 84.2 Favored 'General case' 0 C--O 1.207 -1.157 0 CA-C-O 119.094 -0.479 . . . . 25.0 111.925 177.865 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.24 -40.79 90.47 Favored 'General case' 0 CA--C 1.512 -0.485 0 CA-C-N 118.313 0.506 . . . . 25.0 110.432 179.715 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.22 -34.27 75.94 Favored 'General case' 0 CA--C 1.555 1.159 0 CA-C-O 121.631 0.729 . . . . 25.0 110.355 179.574 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 57.7 mt -72.52 -43.97 62.83 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.833 -0.621 . . . . 25.0 112.635 178.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 -58.57 -36.59 74.19 Favored 'General case' 0 CA--C 1.506 -0.723 0 N-CA-C 109.585 -0.524 . . . . 25.0 109.585 179.802 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 70.3 m -61.17 -29.06 69.57 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 115.461 -0.79 . . . . 25.0 112.133 -178.172 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -83.06 -27.58 30.17 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.788 0.804 . . . . 25.0 110.583 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 69.1 p -102.22 -8.21 21.5 Favored 'General case' 0 C--O 1.214 -0.789 0 N-CA-C 113.912 1.079 . . . . 25.0 113.912 -170.556 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -49.57 -70.59 0.08 Allowed 'General case' 0 CA--C 1.548 0.887 0 N-CA-C 115.198 1.555 . . . . 25.0 115.198 -173.363 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.3 p -69.4 -23.68 26.74 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.316 0 CA-C-O 121.874 0.845 . . . . 25.0 110.563 -179.707 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 39.2 tt0 -66.26 -49.51 66.9 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-O 121.649 0.737 . . . . 25.0 110.371 -178.807 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 13.9 m-30 -79.47 -23.01 43.34 Favored 'General case' 0 CA--C 1.51 -0.562 0 CA-C-N 115.806 -0.634 . . . . 25.0 111.451 -177.172 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -60.85 -36.84 80.17 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 123.708 0.63 . . . . 25.0 111.825 176.903 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 -71.42 -36.9 71.47 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.544 -0.723 . . . . 25.0 110.633 -177.07 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 77.0 t80 -69.53 -36.65 76.59 Favored 'General case' 0 C--N 1.329 -0.323 0 O-C-N 123.959 0.787 . . . . 25.0 110.486 173.222 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.54 -36.71 83.33 Favored 'General case' 0 C--O 1.239 0.552 0 C-N-CA 120.126 -0.63 . . . . 25.0 109.597 -179.646 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.38 -20.37 62.15 Favored 'General case' 0 C--O 1.211 -0.93 0 O-C-N 121.727 -0.608 . . . . 25.0 111.22 177.878 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 16.2 tt0 -79.08 -22.47 45.25 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 120.979 0.419 . . . . 25.0 111.854 178.225 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -97.15 -44.81 6.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.199 -0.909 . . . . 25.0 113.245 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 29.5 m-85 -125.27 71.39 64.06 Favored Pre-proline 0 C--O 1.249 1.048 0 O-C-N 124.41 1.069 . . . . 25.0 111.74 179.16 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_endo -71.43 139.39 34.54 Favored 'Trans proline' 0 C--O 1.194 -1.711 0 C-N-CA 115.195 -2.737 . . . . 25.0 111.402 179.716 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 81.39 0.2 88.72 Favored Glycine 0 N--CA 1.466 0.695 0 C-N-CA 119.927 -1.13 . . . . 25.0 115.614 -179.037 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 27.4 m120 -121.4 87.03 2.68 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 117.997 0.898 . . . . 25.0 111.694 -177.904 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 48.5 t80 -54.37 -45.2 72.75 Favored 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 112.896 0.702 . . . . 25.0 112.896 177.607 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -61.19 -47.8 84.46 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 118.102 0.41 . . . . 25.0 111.5 -179.599 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 91.4 mm-40 -66.87 -34.58 78.11 Favored 'General case' 0 CA--C 1.513 -0.455 0 CA-C-O 121.784 0.802 . . . . 25.0 111.122 -178.191 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -61.28 -36.08 79.06 Favored 'General case' 0 CA--C 1.505 -0.757 0 N-CA-C 108.943 -0.762 . . . . 25.0 108.943 176.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 93.0 mm-40 -75.54 -35.06 60.77 Favored 'General case' 0 C--O 1.249 1.03 0 C-N-CA 120.207 -0.597 . . . . 25.0 111.135 -176.677 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 86.5 mt -61.3 -47.13 94.88 Favored 'Isoleucine or valine' 0 C--O 1.239 0.551 0 N-CA-C 108.062 -1.088 . . . . 25.0 108.062 179.176 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 24.5 tp -65.15 -47.94 75.28 Favored 'General case' 0 C--O 1.221 -0.435 0 CA-C-N 115.714 -0.675 . . . . 25.0 111.318 -177.017 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 61.0 mt -58.43 -40.63 79.11 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 CA-C-O 120.887 0.375 . . . . 25.0 111.73 -179.266 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 65.3 mtp180 -59.23 -44.92 92.31 Favored 'General case' 0 N--CA 1.476 0.84 0 O-C-N 121.769 -0.582 . . . . 25.0 110.483 178.704 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 30.7 tp60 -62.47 -43.31 99.13 Favored 'General case' 0 N--CA 1.45 -0.47 0 O-C-N 123.229 0.331 . . . . 25.0 111.6 178.796 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 19.3 mt -63.25 -42.02 99.14 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.224 -0.658 . . . . 25.0 109.224 -176.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -66.24 -39.35 89.47 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 121.996 -0.44 . . . . 25.0 112.084 -176.622 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 85.6 mt-10 -68.73 -32.86 72.94 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-O 121.727 0.775 . . . . 25.0 110.217 177.713 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 33.8 tt0 -70.22 -40.67 74.37 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.195 -0.457 . . . . 25.0 110.667 -179.41 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 35.2 m80 -70.0 -19.56 63.33 Favored 'General case' 0 N--CA 1.478 0.95 0 O-C-N 122.097 -0.377 . . . . 25.0 111.707 177.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 60.8 t80 -58.53 -36.39 73.79 Favored 'General case' 0 C--N 1.313 -1.001 0 C-N-CA 121.091 -0.244 . . . . 25.0 111.434 177.105 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -64.03 -38.91 92.81 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 111.972 0.36 . . . . 25.0 111.972 179.448 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 45.6 tt0 -65.39 -41.35 93.78 Favored 'General case' 0 CA--C 1.512 -0.51 0 CA-C-O 121.612 0.72 . . . . 25.0 109.114 -178.914 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 40.0 t80 -64.2 -43.22 95.72 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.811 0.815 . . . . 25.0 110.604 178.74 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.322 -0.624 0 CA-C-N 115.144 -0.935 . . . . 25.0 111.603 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 97.5 mttt . . . . . 0 CA--C 1.509 -0.599 0 N-CA-C 112.874 0.694 . . . . 25.0 112.874 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.41 -29.07 69.7 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 112.926 0.713 . . . . 25.0 112.926 -176.084 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 94.4 mm-40 -63.64 -41.34 98.25 Favored 'General case' 0 N--CA 1.456 -0.144 0 CA-C-O 122.06 0.934 . . . . 25.0 110.109 178.056 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 28.5 mt -69.78 -39.64 78.14 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.885 0 CA-C-N 114.564 -1.198 . . . . 25.0 109.015 -178.21 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 92.7 mtp -62.54 -42.2 99.38 Favored 'General case' 0 C--N 1.309 -1.168 0 N-CA-C 111.982 0.364 . . . . 25.0 111.982 176.736 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.22 -41.95 89.85 Favored 'General case' 0 C--O 1.223 -0.304 0 CA-C-O 121.245 0.545 . . . . 25.0 110.774 179.453 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.52 -46.9 83.93 Favored 'General case' 0 CA--C 1.548 0.896 0 CA-C-O 121.663 0.744 . . . . 25.0 110.17 -178.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 58.0 mt -67.85 -36.59 80.58 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.523 0.678 . . . . 25.0 110.464 -177.654 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 63.7 m-20 -63.15 -36.3 83.17 Favored 'General case' 0 CA--C 1.508 -0.653 0 CA-C-N 116.096 -0.502 . . . . 25.0 111.503 178.718 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 42.4 t -63.21 -40.77 98.43 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 123.074 0.234 . . . . 25.0 110.822 179.088 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 89.3 mm-40 -76.22 -24.07 54.62 Favored 'General case' 0 C--N 1.332 -0.163 0 N-CA-C 112.329 0.492 . . . . 25.0 112.329 -175.866 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 38.4 p -104.37 -8.29 19.31 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 113.294 0.85 . . . . 25.0 113.294 -173.193 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -49.92 -63.57 1.07 Allowed 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 113.458 0.91 . . . . 25.0 113.458 -174.668 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 8.3 p -68.72 -32.18 53.88 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 O-C-N 121.292 -0.88 . . . . 25.0 111.599 -175.84 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 66.2 tt0 -64.48 -45.15 88.57 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 121.096 0.474 . . . . 25.0 109.993 -179.698 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 16.2 m-30 -75.34 -28.45 59.6 Favored 'General case' 0 C--O 1.212 -0.897 0 CA-C-N 115.674 -0.694 . . . . 25.0 110.275 179.246 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.424 ' HA ' HD11 ' A' ' 38' ' ' ILE . 39.2 tt0 -62.26 -43.61 98.44 Favored 'General case' 0 C--N 1.323 -0.582 0 O-C-N 121.404 -0.81 . . . . 25.0 112.577 178.68 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -61.79 -42.17 98.66 Favored 'General case' 0 C--O 1.239 0.549 0 N-CA-C 109.303 -0.629 . . . . 25.0 109.303 178.283 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 83.8 t80 -66.67 -44.19 82.48 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 111.91 0.337 . . . . 25.0 111.91 176.802 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.428 ' HA ' HD23 ' A' ' 37' ' ' LEU . . . -60.66 -38.09 83.7 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-O 121.148 0.499 . . . . 25.0 111.72 -177.629 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.17 -28.39 69.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.811 -0.632 . . . . 25.0 109.414 179.532 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -79.37 -19.26 50.59 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.814 -0.175 . . . . 25.0 110.746 -178.647 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 94.2 mm-40 -96.95 -44.87 6.83 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 122.134 -0.354 . . . . 25.0 111.883 -179.251 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -121.54 73.62 31.5 Favored Pre-proline 0 C--O 1.25 1.092 0 N-CA-C 108.677 -0.86 . . . . 25.0 108.677 178.865 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -68.59 137.39 38.95 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 116.475 -1.883 . . . . 25.0 113.741 -174.856 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 83.37 -21.63 8.39 Favored Glycine 0 N--CA 1.446 -0.644 0 N-CA-C 115.322 0.889 . . . . 25.0 115.322 -177.759 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 22.9 m120 -94.74 85.42 4.45 Favored 'General case' 0 N--CA 1.471 0.623 0 O-C-N 121.436 -1.038 . . . . 25.0 111.371 -175.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 64.2 t80 -54.44 -43.76 71.9 Favored 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 112.801 0.667 . . . . 25.0 112.801 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 20.4 pt-20 -61.26 -46.45 90.3 Favored 'General case' 0 C--O 1.206 -1.237 0 O-C-N 122.078 -0.389 . . . . 25.0 112.029 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 87.3 mm-40 -67.84 -35.71 79.06 Favored 'General case' 0 CA--C 1.509 -0.612 0 CA-C-O 121.701 0.762 . . . . 25.0 111.949 179.413 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 56.1 mt-30 -59.68 -38.98 82.99 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.63 -0.714 . . . . 25.0 110.232 177.44 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 79.6 mm-40 -71.33 -39.16 71.55 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-O 121.798 0.809 . . . . 25.0 110.743 -178.245 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 73.5 mt -62.71 -42.54 96.54 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.587 0 N-CA-C 108.302 -0.999 . . . . 25.0 108.302 178.322 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.428 HD23 ' HA ' ' A' ' 23' ' ' ALA . 37.2 tp -64.24 -47.77 78.36 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.124 0.487 . . . . 25.0 111.339 -178.238 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.424 HD11 ' HA ' ' A' ' 20' ' ' GLN . 59.9 mt -57.28 -42.91 81.11 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.003 0 O-C-N 121.467 -0.771 . . . . 25.0 109.893 178.253 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 7.9 tmm_? -62.02 -41.95 98.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 118.856 -0.592 . . . . 25.0 109.957 178.546 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -64.7 -41.11 96.26 Favored 'General case' 0 C--N 1.311 -1.079 0 CA-C-N 118.395 0.543 . . . . 25.0 110.716 178.486 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 78.3 mt -65.26 -37.4 87.1 Favored 'General case' 0 C--N 1.349 0.577 0 CA-C-O 120.95 0.405 . . . . 25.0 111.834 179.521 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -68.4 -41.57 80.29 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.566 -0.288 . . . . 25.0 110.406 179.433 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -70.52 -32.5 70.0 Favored 'General case' 0 N--CA 1.482 1.143 0 O-C-N 120.607 -1.308 . . . . 25.0 111.267 177.304 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 54.6 tt0 -59.17 -48.7 80.63 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-O 122.26 1.029 . . . . 25.0 109.874 175.045 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 73.6 m80 -73.21 -27.14 61.45 Favored 'General case' 0 C--O 1.25 1.117 0 O-C-N 121.372 -0.83 . . . . 25.0 111.708 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 32.1 t80 -65.88 -36.45 83.45 Favored 'General case' 0 N--CA 1.45 -0.468 0 C-N-CA 119.776 -0.77 . . . . 25.0 110.023 176.819 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 55.5 mt-30 -64.63 -39.07 93.05 Favored 'General case' 0 N--CA 1.475 0.782 0 N-CA-C 110.104 -0.332 . . . . 25.0 110.104 176.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 47.8 tt0 -62.46 -46.71 87.25 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-O 121.213 0.53 . . . . 25.0 110.459 177.444 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 38.2 t80 -64.48 -38.23 90.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.023 -0.535 . . . . 25.0 110.933 -178.625 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.44 -0.942 0 O-C-N 121.986 -0.446 . . . . 25.0 111.75 178.824 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 58.9 mttp . . . . . 0 CA--C 1.536 0.413 0 N-CA-C 114.525 1.306 . . . . 25.0 114.525 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 9.6 mp0 -63.52 -27.68 69.43 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 112.943 0.72 . . . . 25.0 112.943 -178.698 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -65.53 -40.09 92.51 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-O 121.664 0.745 . . . . 25.0 109.993 176.608 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 55.3 mt -68.13 -39.89 82.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 108.748 -0.834 . . . . 25.0 108.748 -177.654 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 83.3 mtp -65.18 -37.39 87.22 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.808 -0.633 . . . . 25.0 110.571 177.197 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.34 -38.61 88.05 Favored 'General case' 0 N--CA 1.448 -0.564 0 C-N-CA 120.714 -0.394 . . . . 25.0 110.945 178.796 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.45 -44.63 93.95 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 109.921 -0.4 . . . . 25.0 109.921 178.684 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 68.8 mt -66.37 -33.76 76.43 Favored 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 112.202 0.445 . . . . 25.0 112.202 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -55.72 -41.71 74.24 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 122.482 0.313 . . . . 25.0 110.469 178.618 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 18.6 t -65.94 -34.57 78.42 Favored 'General case' 0 C--O 1.22 -0.462 0 CA-C-O 121.218 0.532 . . . . 25.0 111.009 -177.184 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 28.6 mm100 -75.6 -44.74 41.43 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 113.25 0.833 . . . . 25.0 113.25 -177.536 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 34.2 p -86.86 -1.07 57.51 Favored 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 114.545 1.313 . . . . 25.0 114.545 -173.808 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -43.64 -70.37 0.11 Allowed 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 115.331 1.604 . . . . 25.0 115.331 -171.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 5.6 p -74.92 -24.02 17.8 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 O-C-N 121.643 -0.661 . . . . 25.0 111.044 -177.387 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 60.1 tt0 -64.63 -50.07 68.55 Favored 'General case' 0 C--O 1.238 0.448 0 CA-C-O 121.182 0.515 . . . . 25.0 111.021 -178.273 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 13.5 m-30 -76.24 -22.09 55.58 Favored 'General case' 0 N--CA 1.465 0.288 0 C-N-CA 120.595 -0.442 . . . . 25.0 109.956 -178.509 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.487 ' HA ' HD11 ' A' ' 38' ' ' ILE . 26.4 tt0 -62.34 -38.4 89.33 Favored 'General case' 0 C--O 1.222 -0.383 0 O-C-N 122.047 -0.408 . . . . 25.0 111.512 177.22 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 69.3 mt-30 -65.15 -39.18 92.62 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-O 120.974 0.416 . . . . 25.0 110.283 177.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 45.3 t80 -65.18 -43.78 90.6 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.9 -0.778 . . . . 25.0 108.9 177.213 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.44 -37.98 89.41 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 120.466 -0.494 . . . . 25.0 110.032 -176.485 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.49 -26.15 67.04 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 116.625 -0.261 . . . . 25.0 111.563 178.775 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -74.2 -17.0 60.95 Favored 'General case' 0 C--O 1.218 -0.605 0 O-C-N 121.677 -0.64 . . . . 25.0 111.043 177.158 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 88.5 mm-40 -107.02 -47.23 3.74 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.783 0.66 . . . . 25.0 112.783 -175.58 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -121.05 68.67 17.43 Favored Pre-proline 0 C--O 1.243 0.728 0 CA-C-N 116.375 -0.375 . . . . 25.0 110.992 177.577 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -64.84 140.72 68.3 Favored 'Trans proline' 0 CA--C 1.533 0.468 0 C-N-CA 116.377 -1.949 . . . . 25.0 112.516 -177.301 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 82.28 -21.56 7.02 Favored Glycine 0 CA--C 1.507 -0.416 0 N-CA-C 115.55 0.98 . . . . 25.0 115.55 179.584 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 22.7 m120 -96.76 83.07 3.37 Favored 'General case' 0 C--O 1.219 -0.537 0 CA-C-N 117.667 0.733 . . . . 25.0 110.457 -177.625 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 39.7 t80 -53.02 -45.57 68.0 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 112.494 0.553 . . . . 25.0 112.494 -178.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -62.93 -45.43 92.51 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 120.241 -0.584 . . . . 25.0 110.592 -177.353 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 95.3 mm-40 -68.65 -34.6 75.99 Favored 'General case' 0 CA--C 1.504 -0.808 0 O-C-N 121.105 -0.997 . . . . 25.0 110.42 -177.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -58.0 -38.37 76.02 Favored 'General case' 0 N--CA 1.442 -0.841 0 CA-C-O 120.765 0.317 . . . . 25.0 110.163 173.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 94.8 mm-40 -72.83 -37.92 67.29 Favored 'General case' 0 N--CA 1.48 1.055 0 O-C-N 121.925 -0.484 . . . . 25.0 109.911 -177.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 80.1 mt -62.05 -42.76 96.19 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.198 0 N-CA-C 109.938 -0.393 . . . . 25.0 109.938 177.585 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 30.4 tp -64.44 -45.76 86.09 Favored 'General case' 0 C--O 1.216 -0.704 0 CA-C-N 116.839 -0.164 . . . . 25.0 110.749 176.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.487 HD11 ' HA ' ' A' ' 20' ' ' GLN . 63.1 mt -58.67 -38.6 72.56 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 N-CA-C 109.589 -0.523 . . . . 25.0 109.589 178.827 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.6 tmt_? -58.89 -44.41 91.15 Favored 'General case' 0 C--O 1.24 0.576 0 N-CA-C 109.178 -0.675 . . . . 25.0 109.178 177.766 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 59.5 tt0 -66.69 -40.67 88.62 Favored 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 111.898 0.332 . . . . 25.0 111.898 177.573 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 96.3 mt -62.78 -40.98 99.0 Favored 'General case' 0 C--O 1.212 -0.905 0 N-CA-C 109.812 -0.44 . . . . 25.0 109.812 -179.305 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -70.92 -33.28 70.37 Favored 'General case' 0 C--O 1.216 -0.701 0 CA-C-N 116.548 -0.296 . . . . 25.0 111.312 178.753 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -65.98 -42.28 90.07 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.527 0.679 . . . . 25.0 109.72 175.154 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 55.4 tt0 -67.29 -43.23 82.27 Favored 'General case' 0 C--N 1.316 -0.862 0 O-C-N 121.709 -0.619 . . . . 25.0 110.894 178.806 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 12.9 t-160 -62.65 -41.08 98.84 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 108.968 -0.752 . . . . 25.0 108.968 177.839 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 44.9 t80 -61.87 -33.08 73.55 Favored 'General case' 0 C--O 1.215 -0.726 0 O-C-N 121.944 -0.472 . . . . 25.0 111.656 179.133 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.92 -42.49 97.38 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.092 0.472 . . . . 25.0 109.969 177.09 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -64.76 -41.18 96.09 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-O 121.246 0.546 . . . . 25.0 109.61 176.231 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 21.1 t80 -62.16 -34.32 76.19 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.322 -0.399 . . . . 25.0 111.255 178.574 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.45 -0.439 0 O-C-N 122.177 -0.327 . . . . 25.0 111.09 176.581 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 23.0 ptmt . . . . . 0 N--CA 1.475 0.777 0 N-CA-C 115.492 1.664 . . . . 25.0 115.492 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 85.0 mt-30 -71.37 -26.92 63.0 Favored 'General case' 0 N--CA 1.486 1.33 0 O-C-N 121.199 -0.938 . . . . 25.0 112.901 -177.887 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -65.56 -37.21 86.02 Favored 'General case' 0 C--O 1.221 -0.419 0 CA-C-O 121.948 0.88 . . . . 25.0 108.91 176.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 54.6 mt -68.4 -42.91 84.36 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.004 0 CA-C-N 115.175 -0.921 . . . . 25.0 110.379 -179.786 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 75.7 mtp -60.17 -42.51 95.11 Favored 'General case' 0 C--O 1.215 -0.724 0 C-N-CA 120.558 -0.457 . . . . 25.0 111.164 176.844 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.07 -39.2 74.48 Favored 'General case' 0 CA--C 1.54 0.593 0 O-C-N 121.442 -0.786 . . . . 25.0 112.03 -178.507 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.08 -45.12 86.58 Favored 'General case' 0 C--N 1.312 -1.063 0 CA-C-O 121.94 0.876 . . . . 25.0 110.562 179.219 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 87.4 mt -65.99 -32.69 74.32 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.041 -0.527 . . . . 25.0 110.532 -178.601 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 78.3 m-20 -64.58 -36.17 83.38 Favored 'General case' 0 N--CA 1.435 -1.189 0 CA-C-O 120.884 0.373 . . . . 25.0 110.085 -178.6 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 19.6 m -65.18 -42.49 93.6 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.559 0.695 . . . . 25.0 111.542 177.398 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 27.8 mm100 -72.14 -37.9 69.32 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 114.033 1.123 . . . . 25.0 114.033 -177.136 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 41.6 p -90.91 2.14 56.44 Favored 'General case' 0 C--N 1.313 -1.011 0 N-CA-C 113.406 0.891 . . . . 25.0 113.406 -177.523 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -50.68 -69.38 0.11 Allowed 'General case' 0 CA--C 1.546 0.799 0 N-CA-C 113.439 0.904 . . . . 25.0 113.439 -173.249 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.9 p -72.74 -26.66 23.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 O-C-N 121.134 -0.979 . . . . 25.0 110.2 -177.008 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 44.2 tt0 -59.5 -45.56 91.34 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.264 0.555 . . . . 25.0 110.406 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 12.7 m-30 -84.01 -22.43 31.35 Favored 'General case' 0 C--O 1.246 0.869 0 CA-C-O 121.356 0.598 . . . . 25.0 111.679 -178.153 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.513 ' HA ' HD11 ' A' ' 38' ' ' ILE . 59.4 tt0 -61.99 -36.58 81.93 Favored 'General case' 0 C--O 1.217 -0.643 0 CA-C-N 116.078 -0.51 . . . . 25.0 110.57 -179.59 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 98.1 mm-40 -60.99 -43.04 99.42 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 120.741 -0.383 . . . . 25.0 110.658 179.089 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 67.9 t80 -69.53 -44.57 70.7 Favored 'General case' 0 C--O 1.242 0.69 0 CA-C-O 121.162 0.506 . . . . 25.0 111.129 177.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.52 -34.96 73.29 Favored 'General case' 0 C--O 1.226 -0.166 0 O-C-N 121.511 -0.743 . . . . 25.0 111.375 -179.501 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.47 -24.26 64.68 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.141 0.422 . . . . 25.0 112.141 -178.187 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -79.19 -27.73 42.61 Favored 'General case' 0 C--O 1.242 0.659 0 O-C-N 122.26 -0.275 . . . . 25.0 110.266 178.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 84.6 mm-40 -89.58 -46.74 8.44 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 122.834 0.454 . . . . 25.0 111.326 -174.594 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -120.23 69.95 15.26 Favored Pre-proline 0 CA--C 1.528 0.118 0 CA-C-O 120.894 0.378 . . . . 25.0 110.676 177.661 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_endo -69.88 140.32 41.95 Favored 'Trans proline' 0 C--N 1.35 0.614 0 C-N-CA 116.596 -1.803 . . . . 25.0 113.744 -179.136 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 83.32 -11.33 55.87 Favored Glycine 0 C--N 1.346 1.132 0 N-CA-C 116.422 1.329 . . . . 25.0 116.422 -178.159 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -114.47 87.03 2.55 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 118.587 1.194 . . . . 25.0 109.584 -174.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 72.8 t80 -52.75 -48.05 67.01 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 113.018 0.747 . . . . 25.0 113.018 179.596 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -58.84 -45.57 89.73 Favored 'General case' 0 C--O 1.216 -0.695 0 N-CA-C 112.9 0.704 . . . . 25.0 112.9 -179.007 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 96.7 mm-40 -68.66 -35.66 77.54 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.037 0.446 . . . . 25.0 110.758 -178.23 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -59.3 -36.8 76.27 Favored 'General case' 0 C--O 1.205 -1.279 0 C-N-CA 120.193 -0.603 . . . . 25.0 110.262 173.706 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 85.0 mm-40 -70.58 -41.43 72.37 Favored 'General case' 0 N--CA 1.47 0.572 0 O-C-N 121.529 -0.732 . . . . 25.0 110.518 -177.707 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 68.7 mt -62.39 -41.92 93.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 N-CA-C 108.849 -0.797 . . . . 25.0 108.849 178.65 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 25.7 tp -65.19 -48.08 74.68 Favored 'General case' 0 N--CA 1.452 -0.354 0 O-C-N 122.08 -0.387 . . . . 25.0 110.146 -178.58 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.513 HD11 ' HA ' ' A' ' 20' ' ' GLN . 66.1 mt -57.71 -37.61 60.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 O-C-N 122.038 -0.414 . . . . 25.0 110.951 178.101 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.14 -42.34 90.44 Favored 'General case' 0 C--O 1.21 -1.01 0 CA-C-O 121.208 0.528 . . . . 25.0 111.989 179.029 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -71.21 -36.44 71.89 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 120.457 -0.497 . . . . 25.0 111.214 178.554 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 66.9 mt -63.0 -39.43 94.73 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 120.87 -0.332 . . . . 25.0 110.402 176.159 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 -68.26 -35.07 77.33 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 123.322 0.649 . . . . 25.0 111.297 178.797 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -59.18 -44.3 92.19 Favored 'General case' 0 N--CA 1.464 0.267 0 C-N-CA 120.3 -0.56 . . . . 25.0 110.246 175.74 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -71.23 -37.36 72.03 Favored 'General case' 0 C--O 1.217 -0.653 0 CA-C-N 116.223 -0.444 . . . . 25.0 111.815 177.796 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 55.2 t60 -63.17 -29.68 70.98 Favored 'General case' 0 C--N 1.314 -0.973 0 N-CA-C 111.691 0.256 . . . . 25.0 111.691 176.683 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 85.8 t80 -61.67 -31.8 71.94 Favored 'General case' 0 C--N 1.318 -0.767 0 O-C-N 122.067 -0.396 . . . . 25.0 110.59 177.167 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 -67.14 -41.52 85.96 Favored 'General case' 0 C--O 1.211 -0.925 0 C-N-CA 120.981 -0.287 . . . . 25.0 110.89 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 18.5 tt0 -62.16 -38.99 91.14 Favored 'General case' 0 CA--C 1.518 -0.262 0 O-C-N 121.703 -0.623 . . . . 25.0 110.74 179.078 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 28.2 t80 -63.77 -43.72 95.55 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.929 -0.578 . . . . 25.0 110.953 179.364 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 36.2 mmt . . . . . 0 CA--C 1.514 -0.441 0 O-C-N 121.572 -0.705 . . . . 25.0 111.625 178.739 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 55.4 mtpt . . . . . 0 N--CA 1.451 -0.416 0 CA-C-O 121.632 0.729 . . . . 25.0 110.569 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 18.3 pt20 -66.77 -23.62 66.1 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 113.012 0.745 . . . . 25.0 113.012 -179.049 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -71.67 -36.66 70.72 Favored 'General case' 0 C--O 1.218 -0.565 0 O-C-N 120.761 -1.212 . . . . 25.0 110.141 175.482 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 47.9 mt -67.57 -39.6 82.67 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.36 0 N-CA-C 108.44 -0.948 . . . . 25.0 108.44 178.355 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 77.5 mtp -63.46 -42.24 98.61 Favored 'General case' 0 C--O 1.206 -1.217 0 CA-C-N 115.917 -0.583 . . . . 25.0 112.31 177.214 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.36 -40.93 92.54 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-O 121.916 0.865 . . . . 25.0 110.637 -179.678 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.26 -47.09 71.75 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.248 -0.887 . . . . 25.0 110.393 -179.306 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 79.0 mt -64.06 -39.87 95.01 Favored 'General case' 0 C--O 1.242 0.66 0 O-C-N 121.101 -0.999 . . . . 25.0 111.51 -179.917 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 50.0 m-20 -64.13 -30.05 71.14 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.197 -0.456 . . . . 25.0 110.92 179.708 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 49.3 m -62.74 -36.2 82.27 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-O 120.7 0.286 . . . . 25.0 110.984 179.016 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -75.6 -27.07 58.35 Favored 'General case' 0 C--O 1.241 0.658 0 N-CA-C 113.458 0.91 . . . . 25.0 113.458 179.824 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 59.7 p -105.95 -5.22 19.79 Favored 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 114.809 1.411 . . . . 25.0 114.809 -170.462 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -48.97 -69.75 0.11 Allowed 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 114.091 1.145 . . . . 25.0 114.091 -175.065 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.5 p -68.89 -26.98 33.88 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-O 121.72 0.771 . . . . 25.0 110.258 -177.723 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 50.0 tt0 -64.5 -50.27 68.06 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.266 0.555 . . . . 25.0 111.647 -177.91 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 18.7 m-30 -75.27 -21.72 58.33 Favored 'General case' 0 C--N 1.315 -0.919 0 C-N-CA 119.185 -1.006 . . . . 25.0 110.882 -178.719 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.448 ' HA ' HD11 ' A' ' 38' ' ' ILE . 45.5 tt0 -60.92 -36.31 78.97 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 122.597 0.359 . . . . 25.0 111.202 179.593 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -70.58 -38.77 74.11 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 120.948 -0.301 . . . . 25.0 111.232 179.431 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 56.1 t80 -69.57 -36.75 76.58 Favored 'General case' 0 C--O 1.22 -0.466 0 N-CA-C 109.918 -0.401 . . . . 25.0 109.918 176.02 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.95 -42.45 97.3 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.884 -0.413 . . . . 25.0 109.884 178.753 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.51 -29.43 70.47 Favored 'General case' 0 C--O 1.205 -1.25 0 C-N-CA 120.208 -0.597 . . . . 25.0 111.278 179.231 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 37.4 tt0 -69.71 -30.79 68.5 Favored 'General case' 0 C--O 1.21 -1.026 0 CA-C-O 121.102 0.477 . . . . 25.0 109.986 178.025 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 5.5 mm-40 -89.64 -46.84 8.35 Favored 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 113.795 1.035 . . . . 25.0 113.795 -175.515 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -123.09 70.72 42.04 Favored Pre-proline 0 C--O 1.238 0.497 0 O-C-N 123.634 0.584 . . . . 25.0 110.321 179.527 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_endo -67.07 135.15 36.47 Favored 'Trans proline' 0 CA--C 1.539 0.735 0 C-N-CA 117.969 -0.888 . . . . 25.0 112.469 -172.95 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 81.99 -14.62 31.42 Favored Glycine 0 CA--C 1.536 1.361 0 CA-C-N 115.91 -0.586 . . . . 25.0 114.415 179.646 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -100.48 85.75 3.02 Favored 'General case' 0 C--O 1.217 -0.628 0 CA-C-N 117.828 0.814 . . . . 25.0 110.892 -176.662 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 60.1 t80 -52.23 -48.14 65.3 Favored 'General case' 0 CA--C 1.507 -0.706 0 N-CA-C 112.737 0.643 . . . . 25.0 112.737 -179.16 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -61.95 -46.08 90.88 Favored 'General case' 0 N--CA 1.478 0.933 0 N-CA-C 111.823 0.305 . . . . 25.0 111.823 -179.004 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.403 ' HA ' HD12 ' A' ' 36' ' ' ILE . 26.8 mm100 -65.59 -35.7 81.59 Favored 'General case' 0 C--N 1.318 -0.768 0 O-C-N 121.418 -0.801 . . . . 25.0 110.29 -179.638 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 70.8 mt-30 -61.79 -37.02 82.81 Favored 'General case' 0 N--CA 1.439 -1.018 0 C-N-CA 120.061 -0.656 . . . . 25.0 110.892 176.65 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 98.2 mm-40 -72.32 -36.66 68.92 Favored 'General case' 0 C--O 1.243 0.759 0 CA-C-O 120.977 0.418 . . . . 25.0 110.854 -178.384 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.403 HD12 ' HA ' ' A' ' 33' ' ' GLN . 56.4 mt -62.98 -42.43 96.61 Favored 'Isoleucine or valine' 0 C--O 1.258 1.528 0 O-C-N 122.0 -0.437 . . . . 25.0 110.986 175.688 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 42.5 tp -64.19 -47.65 78.97 Favored 'General case' 0 C--O 1.212 -0.896 0 C-N-CA 119.812 -0.755 . . . . 25.0 110.638 -179.687 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.448 HD11 ' HA ' ' A' ' 20' ' ' GLN . 63.9 mt -56.97 -42.4 78.85 Favored 'Isoleucine or valine' 0 C--O 1.249 1.044 0 O-C-N 121.925 -0.484 . . . . 25.0 110.716 179.037 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.82 -37.64 79.74 Favored 'General case' 0 C--O 1.24 0.589 0 O-C-N 122.036 -0.415 . . . . 25.0 112.086 179.025 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 12.4 tm0? -71.62 -43.89 65.38 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 117.751 0.251 . . . . 25.0 110.343 177.897 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 84.9 mt -59.58 -43.7 93.55 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-O 121.828 0.823 . . . . 25.0 110.899 -177.178 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -63.8 -35.36 80.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.94 -0.573 . . . . 25.0 110.197 -176.918 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -70.93 -36.38 72.61 Favored 'General case' 0 C--N 1.321 -0.668 0 O-C-N 122.025 -0.422 . . . . 25.0 111.919 179.196 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 45.4 tt0 -69.26 -41.31 77.06 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-O 121.27 0.557 . . . . 25.0 110.999 176.223 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 32.5 m80 -66.79 -28.12 68.13 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 122.29 1.043 . . . . 25.0 111.16 178.688 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 69.2 t80 -61.88 -33.58 74.46 Favored 'General case' 0 CA--C 1.544 0.744 0 O-C-N 121.651 -0.656 . . . . 25.0 111.046 176.71 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 73.0 mt-30 -63.86 -39.84 95.16 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.58 0.705 . . . . 25.0 111.235 -179.969 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 46.0 tt0 -62.38 -41.65 98.81 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 121.773 -0.579 . . . . 25.0 109.636 -179.261 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 35.7 t80 -64.84 -42.73 94.7 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 116.085 -0.507 . . . . 25.0 111.12 179.507 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.284 0 CA-C-O 121.529 0.681 . . . . 25.0 111.725 178.846 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 55.5 pttt . . . . . 0 C--O 1.221 -0.418 0 N-CA-C 110.06 -0.348 . . . . 25.0 110.06 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -72.62 -23.94 61.0 Favored 'General case' 0 C--O 1.211 -0.921 0 N-CA-C 113.868 1.062 . . . . 25.0 113.868 -177.188 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 13.7 mm-40 -59.7 -43.07 94.25 Favored 'General case' 0 C--O 1.211 -0.969 0 CA-C-O 121.992 0.901 . . . . 25.0 109.246 174.204 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 81.1 mt -69.23 -38.88 78.46 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.024 0 N-CA-C 108.522 -0.918 . . . . 25.0 108.522 -177.304 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 78.8 mtp -61.99 -42.16 98.84 Favored 'General case' 0 C--O 1.207 -1.175 0 N-CA-C 109.434 -0.58 . . . . 25.0 109.434 179.454 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.49 -39.71 94.35 Favored 'General case' 0 CA--C 1.55 0.961 0 CA-C-N 118.175 0.443 . . . . 25.0 110.204 179.803 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.47 -46.3 86.8 Favored 'General case' 0 N--CA 1.477 0.909 0 CA-C-O 121.375 0.607 . . . . 25.0 110.956 178.72 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 89.6 mt -65.03 -35.99 82.93 Favored 'General case' 0 CA--C 1.498 -1.03 0 CA-C-N 116.062 -0.517 . . . . 25.0 112.02 177.99 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 82.1 m-20 -64.92 -39.87 94.19 Favored 'General case' 0 C--O 1.212 -0.906 0 C-N-CA 120.638 -0.425 . . . . 25.0 110.254 -178.359 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 32.1 t -71.71 -42.76 66.98 Favored 'General case' 0 C--O 1.241 0.645 0 C-N-CA 120.8 -0.36 . . . . 25.0 111.392 177.763 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -61.06 -41.36 96.48 Favored 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 113.472 0.916 . . . . 25.0 113.472 -179.333 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 71.6 p -99.36 -4.91 30.56 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 115.077 1.51 . . . . 25.0 115.077 -171.551 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -45.33 -65.18 0.57 Allowed 'General case' 0 CA--C 1.532 0.259 0 N-CA-C 114.093 1.146 . . . . 25.0 114.093 -173.032 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 8.4 p -72.16 -28.25 28.93 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 C-N-CA 120.742 -0.383 . . . . 25.0 110.952 -172.976 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 6.2 mp0 -63.42 -45.5 90.66 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-O 121.18 0.514 . . . . 25.0 111.722 177.997 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 19.6 m-30 -79.61 -23.59 42.56 Favored 'General case' 0 N--CA 1.445 -0.689 0 O-C-N 121.575 -0.703 . . . . 25.0 111.445 -177.832 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.403 ' HA ' HD11 ' A' ' 38' ' ' ILE . 37.2 tt0 -60.5 -38.97 86.07 Favored 'General case' 0 C--O 1.213 -0.855 0 N-CA-C 112.344 0.498 . . . . 25.0 112.344 178.161 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -62.77 -42.91 99.91 Favored 'General case' 0 C--N 1.32 -0.691 0 C-N-CA 120.289 -0.564 . . . . 25.0 110.536 -179.366 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 33.9 t80 -67.98 -42.56 80.63 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 115.566 -0.743 . . . . 25.0 110.999 176.925 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.25 -35.39 77.14 Favored 'General case' 0 C--O 1.215 -0.714 0 CA-C-O 121.478 0.656 . . . . 25.0 110.137 -178.547 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.62 -25.01 66.39 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.661 0.743 . . . . 25.0 112.422 179.444 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -79.24 -26.48 42.47 Favored 'General case' 0 C--O 1.212 -0.892 0 O-C-N 121.723 -0.61 . . . . 25.0 110.597 177.281 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 30.5 mm-40 -86.31 -46.32 10.42 Favored 'General case' 0 N--CA 1.469 0.525 0 N-CA-C 113.527 0.936 . . . . 25.0 113.527 178.47 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 29.6 m-85 -124.06 73.12 56.31 Favored Pre-proline 0 C--O 1.245 0.817 0 CA-C-N 116.022 -0.535 . . . . 25.0 109.619 179.698 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -71.78 138.67 32.16 Favored 'Trans proline' 0 C--N 1.356 0.951 0 C-N-CA 117.307 -1.328 . . . . 25.0 114.388 -176.232 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.98 -12.0 19.5 Favored Glycine 0 N--CA 1.45 -0.394 0 N-CA-C 115.826 1.091 . . . . 25.0 115.826 -176.669 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 21.6 m120 -105.22 87.82 2.72 Favored 'General case' 0 N--CA 1.482 1.15 0 CA-C-O 121.424 0.63 . . . . 25.0 111.781 -176.788 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 81.7 t80 -56.87 -44.19 81.97 Favored 'General case' 0 N--CA 1.477 0.91 0 N-CA-C 112.678 0.621 . . . . 25.0 112.678 -179.873 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -60.54 -46.33 90.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.286 -0.416 . . . . 25.0 110.064 -179.218 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.406 ' HA ' HD12 ' A' ' 36' ' ' ILE . 94.7 mm-40 -70.31 -35.56 73.74 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 118.762 0.71 . . . . 25.0 111.254 -177.068 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 61.2 mt-30 -57.23 -38.0 73.13 Favored 'General case' 0 N--CA 1.479 0.989 0 CA-C-N 116.01 -0.541 . . . . 25.0 110.35 175.187 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 93.2 mm-40 -71.49 -39.66 70.72 Favored 'General case' 0 N--CA 1.441 -0.884 0 C-N-CA 120.373 -0.531 . . . . 25.0 111.902 -179.869 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.406 HD12 ' HA ' ' A' ' 33' ' ' GLN . 76.9 mt -63.43 -34.13 65.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 N-CA-C 107.791 -1.188 . . . . 25.0 107.791 -178.011 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 29.3 tp -71.31 -47.03 59.22 Favored 'General case' 0 C--O 1.221 -0.397 0 N-CA-C 113.195 0.813 . . . . 25.0 113.195 176.383 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.403 HD11 ' HA ' ' A' ' 20' ' ' GLN . 43.2 mt -57.28 -41.73 78.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 N-CA-C 109.587 -0.523 . . . . 25.0 109.587 178.589 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 60.6 ttp180 -59.55 -42.81 93.24 Favored 'General case' 0 C--O 1.21 -1.022 0 N-CA-C 112.066 0.395 . . . . 25.0 112.066 178.341 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -62.32 -42.6 99.51 Favored 'General case' 0 C--O 1.22 -0.456 0 O-C-N 123.343 0.402 . . . . 25.0 111.82 176.444 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 71.0 mt -64.48 -38.7 91.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 121.588 -0.695 . . . . 25.0 111.499 179.215 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -70.43 -37.29 74.38 Favored 'General case' 0 C--N 1.32 -0.713 0 O-C-N 122.075 -0.391 . . . . 25.0 111.34 -178.271 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -66.23 -37.7 86.15 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-N 115.576 -0.738 . . . . 25.0 109.428 175.974 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -66.14 -44.98 82.6 Favored 'General case' 0 C--O 1.243 0.731 0 O-C-N 121.938 -0.476 . . . . 25.0 110.146 176.496 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 73.3 t60 -63.91 -24.66 67.82 Favored 'General case' 0 C--O 1.224 -0.269 0 C-N-CA 122.457 0.303 . . . . 25.0 111.419 -178.764 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 28.0 t80 -59.23 -35.5 73.75 Favored 'General case' 0 N--CA 1.48 1.048 0 O-C-N 122.065 -0.397 . . . . 25.0 110.721 176.64 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 81.2 mt-30 -63.01 -46.03 89.58 Favored 'General case' 0 CA--C 1.547 0.838 0 CA-C-O 121.733 0.778 . . . . 25.0 110.956 177.868 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 44.3 tt0 -69.14 -41.79 76.83 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 115.658 -0.701 . . . . 25.0 110.564 -178.414 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 46.6 t80 -61.61 -35.68 78.56 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.021 0.438 . . . . 25.0 110.561 -179.041 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.508 -0.663 0 C-N-CA 120.169 -0.613 . . . . 25.0 112.184 177.567 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.6 mppt? . . . . . 0 N--CA 1.48 1.043 0 N-CA-C 112.551 0.575 . . . . 25.0 112.551 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 53.7 mt-30 -70.83 -24.8 62.61 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 121.612 -0.68 . . . . 25.0 111.918 179.713 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 82.4 mm-40 -61.91 -39.84 93.38 Favored 'General case' 0 C--O 1.209 -1.073 0 N-CA-C 107.086 -1.45 . . . . 25.0 107.086 178.368 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 30.5 mt -66.59 -43.1 90.73 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.838 0 CA-C-O 121.242 0.544 . . . . 25.0 110.488 179.547 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 87.5 mtp -61.67 -39.38 91.21 Favored 'General case' 0 C--O 1.216 -0.677 0 CA-C-N 116.135 -0.484 . . . . 25.0 110.491 -178.298 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.81 -36.57 83.88 Favored 'General case' 0 CA--C 1.553 1.068 0 N-CA-C 112.51 0.559 . . . . 25.0 112.51 178.644 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.49 -46.07 87.83 Favored 'General case' 0 C--O 1.248 0.977 0 N-CA-C 108.576 -0.898 . . . . 25.0 108.576 177.263 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 90.8 mt -64.89 -38.05 89.67 Favored 'General case' 0 C--O 1.209 -1.062 0 N-CA-C 112.614 0.598 . . . . 25.0 112.614 177.542 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 63.8 m-20 -65.55 -35.4 80.75 Favored 'General case' 0 C--N 1.316 -0.872 0 N-CA-C 109.135 -0.691 . . . . 25.0 109.135 -178.54 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 27.1 m -66.48 -38.34 87.07 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.919 -0.582 . . . . 25.0 111.097 176.38 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 82.1 mm-40 -74.7 -16.27 60.76 Favored 'General case' 0 N--CA 1.475 0.786 0 N-CA-C 113.199 0.815 . . . . 25.0 113.199 -179.619 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 52.1 p -124.22 0.79 8.44 Favored 'General case' 0 N--CA 1.478 0.931 0 N-CA-C 113.816 1.043 . . . . 25.0 113.816 -174.945 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -49.16 -51.93 29.5 Favored 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 112.981 0.734 . . . . 25.0 112.981 -172.579 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.9 p -79.54 -32.19 14.47 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.626 0 N-CA-C 112.629 0.603 . . . . 25.0 112.629 -177.723 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 6.5 mp0 -64.62 -42.6 95.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 121.623 -0.673 . . . . 25.0 110.265 178.606 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 15.5 m-30 -73.6 -27.6 61.38 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.964 -0.562 . . . . 25.0 112.262 179.55 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.413 ' HA ' HD11 ' A' ' 38' ' ' ILE . 7.4 tm0? -67.51 -45.45 75.76 Favored 'General case' 0 C--O 1.216 -0.659 0 O-C-N 121.821 -0.549 . . . . 25.0 111.128 172.86 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -62.2 -38.93 91.03 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 118.882 0.765 . . . . 25.0 110.79 177.183 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 61.4 t80 -64.54 -44.71 89.96 Favored 'General case' 0 C--O 1.215 -0.754 0 O-C-N 123.553 0.533 . . . . 25.0 112.416 178.337 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.66 -32.27 73.74 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-O 122.276 1.036 . . . . 25.0 110.541 179.639 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.78 -28.57 67.72 Favored 'General case' 0 N--CA 1.443 -0.784 0 O-C-N 121.431 -0.793 . . . . 25.0 109.216 -179.523 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 19.2 tt0 -77.2 -18.66 57.58 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.101 -0.954 . . . . 25.0 112.81 -179.583 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 87.0 mm-40 -97.93 -45.48 6.27 Favored 'General case' 0 CA--C 1.514 -0.404 0 CA-C-N 115.575 -0.738 . . . . 25.0 111.535 -178.397 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 25.6 m-85 -124.69 68.37 52.6 Favored Pre-proline 0 C--N 1.326 -0.435 0 C-N-CA 122.869 0.467 . . . . 25.0 110.928 178.849 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_endo -65.63 138.71 55.23 Favored 'Trans proline' 0 C--N 1.356 0.97 0 C-N-CA 116.693 -1.738 . . . . 25.0 113.841 -176.374 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 86.84 -30.13 4.76 Favored Glycine 0 CA--C 1.529 0.913 0 O-C-N 125.148 1.53 . . . . 25.0 114.267 -177.129 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -94.88 84.35 4.16 Favored 'General case' 0 C--O 1.216 -0.66 0 CA-C-N 119.294 1.547 . . . . 25.0 111.161 -174.062 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 59.8 t80 -54.16 -42.0 69.1 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-O 121.177 0.513 . . . . 25.0 112.254 178.597 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -61.15 -43.78 98.34 Favored 'General case' 0 C--O 1.217 -0.643 0 O-C-N 120.745 -1.222 . . . . 25.0 111.493 -179.178 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 98.2 mm-40 -72.14 -32.22 66.71 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-O 121.002 0.429 . . . . 25.0 110.872 -179.887 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 70.8 mt-30 -61.72 -34.91 76.64 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 115.926 -0.579 . . . . 25.0 110.132 175.263 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 93.2 mm-40 -76.13 -36.51 58.79 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 121.037 -0.265 . . . . 25.0 110.869 -178.621 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 84.3 mt -63.03 -42.25 95.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 N-CA-C 109.166 -0.679 . . . . 25.0 109.166 176.588 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 42.2 tp -65.77 -46.57 78.26 Favored 'General case' 0 C--N 1.319 -0.742 0 C-N-CA 120.521 -0.471 . . . . 25.0 110.553 -176.685 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.413 HD11 ' HA ' ' A' ' 20' ' ' GLN . 72.0 mt -61.39 -36.57 73.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 N-CA-C 109.947 -0.39 . . . . 25.0 109.947 -179.159 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.5 tmt_? -56.07 -42.47 76.72 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 120.782 -0.367 . . . . 25.0 110.949 175.616 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -69.77 -43.34 72.37 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 120.927 -0.309 . . . . 25.0 110.958 178.275 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 85.9 mt -61.63 -41.34 97.35 Favored 'General case' 0 C--N 1.318 -0.784 0 O-C-N 122.216 -0.303 . . . . 25.0 111.468 -176.687 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -64.63 -38.25 90.37 Favored 'General case' 0 C--O 1.244 0.785 0 CA-C-O 121.358 0.599 . . . . 25.0 112.301 -178.437 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -74.43 -45.81 44.04 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-O 121.06 0.457 . . . . 25.0 110.819 -179.038 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 -62.68 -37.19 85.45 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 122.812 0.445 . . . . 25.0 112.0 -179.287 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 72.4 t60 -65.26 -37.36 86.95 Favored 'General case' 0 C--O 1.213 -0.821 0 CA-C-O 120.974 0.416 . . . . 25.0 109.917 177.105 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 52.3 t80 -63.46 -31.12 72.18 Favored 'General case' 0 C--O 1.218 -0.604 0 C-N-CA 120.036 -0.666 . . . . 25.0 111.241 177.839 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 88.9 mm-40 -66.52 -40.07 88.97 Favored 'General case' 0 C--O 1.238 0.46 0 N-CA-C 109.886 -0.413 . . . . 25.0 109.886 177.537 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -64.8 -46.92 80.01 Favored 'General case' 0 CA--C 1.51 -0.577 0 CA-C-O 121.447 0.641 . . . . 25.0 110.056 177.23 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 51.2 t80 -59.26 -38.5 80.24 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.996 -0.547 . . . . 25.0 110.673 -179.373 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.537 0.45 0 O-C-N 121.989 -0.444 . . . . 25.0 111.971 178.573 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 67.5 mttm . . . . . 0 N--CA 1.474 0.771 0 N-CA-C 114.845 1.424 . . . . 25.0 114.845 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -66.64 -22.66 66.1 Favored 'General case' 0 C--O 1.206 -1.21 0 C-N-CA 123.357 0.663 . . . . 25.0 110.429 173.237 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 35.5 mm-40 -58.53 -39.76 81.05 Favored 'General case' 0 C--O 1.217 -0.646 0 CA-C-O 122.618 1.199 . . . . 25.0 109.665 173.372 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 42.3 mt -73.36 -36.01 47.73 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.638 0 N-CA-C 107.128 -1.434 . . . . 25.0 107.128 -177.765 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 74.1 mtp -64.6 -42.94 95.22 Favored 'General case' 0 C--O 1.21 -0.992 0 O-C-N 121.025 -1.047 . . . . 25.0 111.969 177.924 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.97 -43.38 91.36 Favored 'General case' 0 N--CA 1.44 -0.955 0 O-C-N 122.022 -0.424 . . . . 25.0 110.442 177.406 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.03 -46.85 85.62 Favored 'General case' 0 CA--C 1.549 0.913 0 CA-C-O 121.037 0.446 . . . . 25.0 110.09 179.831 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 89.8 mt -67.19 -37.08 83.07 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-O 120.976 0.417 . . . . 25.0 111.095 -178.055 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 74.3 m-20 -65.79 -39.13 90.65 Favored 'General case' 0 C--O 1.216 -0.668 0 CA-C-N 116.505 -0.316 . . . . 25.0 110.184 -179.551 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 44.3 t -61.68 -45.5 93.72 Favored 'General case' 0 C--O 1.24 0.564 0 CA-C-O 121.602 0.715 . . . . 25.0 110.788 177.007 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 17.5 mm-40 -65.47 -24.34 67.14 Favored 'General case' 0 N--CA 1.474 0.769 0 N-CA-C 113.341 0.867 . . . . 25.0 113.341 -178.23 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 56.1 p -115.29 5.97 14.82 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 113.264 0.839 . . . . 25.0 113.264 -175.183 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -49.02 -66.97 0.31 Allowed 'General case' 0 N--CA 1.478 0.974 0 N-CA-C 113.781 1.03 . . . . 25.0 113.781 -174.586 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 8.8 p -70.09 -27.94 34.28 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 CA-C-O 121.241 0.544 . . . . 25.0 110.279 -178.131 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.1 tm0? -62.53 -49.72 74.2 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.222 -0.444 . . . . 25.0 111.647 -178.151 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 20.7 m-30 -81.63 -20.55 39.45 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.327 -0.397 . . . . 25.0 110.417 178.088 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.513 ' HA ' HD11 ' A' ' 38' ' ' ILE . 57.4 tt0 -59.93 -41.0 90.8 Favored 'General case' 0 C--O 1.218 -0.577 0 C-N-CA 120.276 -0.57 . . . . 25.0 112.368 176.432 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 90.7 mm-40 -69.97 -34.13 72.99 Favored 'General case' 0 C--O 1.216 -0.679 0 CA-C-N 118.373 0.533 . . . . 25.0 111.288 179.74 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 78.7 t80 -67.61 -40.02 84.74 Favored 'General case' 0 C--N 1.318 -0.788 0 O-C-N 121.849 -0.532 . . . . 25.0 110.195 176.175 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.486 ' HA ' HD23 ' A' ' 37' ' ' LEU . . . -62.98 -37.77 88.48 Favored 'General case' 0 CA--C 1.547 0.832 0 CA-C-O 121.594 0.712 . . . . 25.0 109.34 178.729 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.85 -26.91 67.87 Favored 'General case' 0 C--N 1.321 -0.637 0 O-C-N 121.699 -0.626 . . . . 25.0 111.071 178.402 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -83.14 -9.99 58.89 Favored 'General case' 0 N--CA 1.48 1.066 0 N-CA-C 112.497 0.555 . . . . 25.0 112.497 -179.855 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 9.4 mm-40 -103.29 -48.44 4.01 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 115.311 -0.859 . . . . 25.0 110.33 178.002 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -121.18 66.46 15.82 Favored Pre-proline 0 C--O 1.259 1.602 0 CA-C-O 121.744 0.783 . . . . 25.0 111.009 -178.807 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -68.95 138.58 40.81 Favored 'Trans proline' 0 C--O 1.219 -0.456 0 C-N-CA 116.056 -2.163 . . . . 25.0 111.343 -179.941 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 89.67 -7.73 81.26 Favored Glycine 0 CA--C 1.521 0.42 0 N-CA-C 114.64 0.616 . . . . 25.0 114.64 -179.947 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 19.6 m120 -120.41 82.7 1.94 Allowed 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 118.092 0.946 . . . . 25.0 111.609 -178.331 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 50.5 t80 -51.09 -45.74 61.59 Favored 'General case' 0 N--CA 1.471 0.575 0 N-CA-C 112.742 0.645 . . . . 25.0 112.742 179.538 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -65.18 -43.62 91.07 Favored 'General case' 0 C--N 1.328 -0.35 0 O-C-N 121.874 -0.516 . . . . 25.0 111.996 -176.97 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 88.1 mm-40 -67.88 -33.99 75.8 Favored 'General case' 0 C--O 1.22 -0.5 0 O-C-N 121.482 -0.761 . . . . 25.0 111.329 178.893 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 69.5 mt-30 -58.7 -37.67 76.59 Favored 'General case' 0 C--O 1.22 -0.458 0 CA-C-N 115.767 -0.651 . . . . 25.0 110.739 173.841 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -74.17 -36.73 64.08 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.847 0.832 . . . . 25.0 109.784 -177.304 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 95.5 mt -63.34 -41.39 92.58 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.591 0 CA-C-N 116.157 -0.474 . . . . 25.0 110.007 177.1 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.486 HD23 ' HA ' ' A' ' 23' ' ' ALA . 43.2 tp -60.41 -46.9 88.34 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.997 -0.281 . . . . 25.0 110.305 179.994 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.513 HD11 ' HA ' ' A' ' 20' ' ' GLN . 73.8 mt -59.38 -40.69 82.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 N-CA-C 113.607 0.965 . . . . 25.0 113.607 176.118 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 52.7 ttp180 -55.61 -40.43 72.06 Favored 'General case' 0 C--O 1.217 -0.614 0 CA-C-N 116.173 -0.467 . . . . 25.0 109.969 177.202 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 19.6 mm100 -77.81 -34.84 51.9 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 113.116 0.784 . . . . 25.0 113.116 178.716 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 85.9 mt -64.48 -42.42 95.89 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 120.606 -0.438 . . . . 25.0 110.823 179.725 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 -68.0 -28.68 67.63 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 121.048 -0.261 . . . . 25.0 110.754 -175.268 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -63.11 -43.72 97.66 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.176 -0.466 . . . . 25.0 110.56 175.618 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 44.6 tt0 -75.9 -35.49 59.8 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-O 121.294 0.569 . . . . 25.0 110.452 -177.579 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 64.2 m80 -70.23 -22.3 62.92 Favored 'General case' 0 N--CA 1.486 1.362 0 O-C-N 120.673 -1.267 . . . . 25.0 110.822 178.709 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 48.1 t80 -63.18 -34.84 78.51 Favored 'General case' 0 CA--C 1.514 -0.411 0 O-C-N 121.322 -0.861 . . . . 25.0 109.965 176.671 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -64.97 -42.68 94.35 Favored 'General case' 0 CA--C 1.506 -0.714 0 CA-C-N 115.176 -0.92 . . . . 25.0 110.593 178.655 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 39.2 tt0 -62.05 -41.51 98.21 Favored 'General case' 0 C--O 1.242 0.699 0 CA-C-O 122.322 1.058 . . . . 25.0 110.194 179.377 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 45.7 t80 -65.3 -39.62 92.74 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.617 -0.719 . . . . 25.0 110.024 179.405 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.474 0.725 0 CA-C-N 115.895 -0.593 . . . . 25.0 109.681 177.163 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 38.7 ttmt . . . . . 0 C--O 1.218 -0.59 0 N-CA-C 114.221 1.193 . . . . 25.0 114.221 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 80.7 mt-30 -67.93 -31.84 71.87 Favored 'General case' 0 C--N 1.316 -0.883 0 O-C-N 120.772 -1.205 . . . . 25.0 109.814 -174.151 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 83.2 mt-30 -71.48 -37.19 71.33 Favored 'General case' 0 C--O 1.199 -1.567 0 C-N-CA 120.444 -0.502 . . . . 25.0 111.733 178.545 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 30.3 mt -67.56 -40.69 84.76 Favored 'Isoleucine or valine' 0 C--O 1.262 1.717 0 N-CA-C 108.952 -0.759 . . . . 25.0 108.952 178.078 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.8 mmt -67.36 -36.49 81.49 Favored 'General case' 0 C--N 1.309 -1.162 0 O-C-N 124.183 0.927 . . . . 25.0 111.585 -178.795 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.48 -41.14 84.61 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-O 122.498 1.142 . . . . 25.0 108.847 177.455 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.96 -50.16 51.58 Favored 'General case' 0 N--CA 1.469 0.478 0 O-C-N 121.564 -0.71 . . . . 25.0 111.117 -178.973 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 87.8 mt -62.27 -33.65 75.03 Favored 'General case' 0 C--O 1.202 -1.409 0 CA-C-O 120.707 0.289 . . . . 25.0 110.459 178.18 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -69.43 -33.2 72.61 Favored 'General case' 0 N--CA 1.485 1.293 0 O-C-N 120.397 -1.439 . . . . 25.0 108.542 -179.636 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 73.3 m -68.83 -44.04 74.29 Favored 'General case' 0 N--CA 1.491 1.587 0 N-CA-C 108.059 -1.089 . . . . 25.0 108.059 -178.599 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 93.2 mm-40 -70.59 -17.49 62.9 Favored 'General case' 0 C--N 1.315 -0.928 0 N-CA-C 113.938 1.088 . . . . 25.0 113.938 -177.434 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 75.7 p -121.7 -1.67 9.46 Favored 'General case' 0 C--O 1.244 0.78 0 N-CA-C 116.771 2.138 . . . . 25.0 116.771 -175.556 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.72 -63.71 1.06 Allowed 'General case' 0 N--CA 1.491 1.603 0 N-CA-C 115.049 1.499 . . . . 25.0 115.049 -175.259 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.6 p -73.62 -25.07 20.46 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.027 0 O-C-N 121.229 -0.919 . . . . 25.0 110.162 -177.937 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 15.3 tt0 -67.57 -40.01 84.91 Favored 'General case' 0 C--N 1.313 -0.994 0 O-C-N 120.322 -1.486 . . . . 25.0 109.354 -177.197 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 17.8 m-30 -84.64 -20.32 31.52 Favored 'General case' 0 C--N 1.309 -1.19 0 CA-C-N 116.022 -0.535 . . . . 25.0 110.303 -179.021 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.522 ' HA ' HD11 ' A' ' 38' ' ' ILE . 28.6 tt0 -66.24 -41.42 90.04 Favored 'General case' 0 C--N 1.29 -1.988 0 N-CA-C 109.013 -0.736 . . . . 25.0 109.013 179.85 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 54.3 mt-30 -63.68 -37.49 87.53 Favored 'General case' 0 C--O 1.207 -1.151 0 N-CA-C 108.05 -1.093 . . . . 25.0 108.05 -177.33 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 79.9 t80 -68.56 -43.02 77.5 Favored 'General case' 0 CA--C 1.517 -0.294 0 N-CA-C 112.512 0.56 . . . . 25.0 112.512 176.773 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.52 -36.7 85.06 Favored 'General case' 0 C--O 1.248 1.017 0 N-CA-C 108.917 -0.772 . . . . 25.0 108.917 -179.653 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.35 -23.64 65.63 Favored 'General case' 0 C--N 1.319 -0.744 0 C-N-CA 118.732 -1.187 . . . . 25.0 112.813 176.471 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 19.6 tt0 -82.14 -27.12 32.94 Favored 'General case' 0 CA--C 1.557 1.221 0 N-CA-C 108.399 -0.963 . . . . 25.0 108.399 -178.555 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 74.0 mm-40 -84.99 -50.14 7.72 Favored 'General case' 0 N--CA 1.499 2.023 0 N-CA-C 113.618 0.97 . . . . 25.0 113.618 178.893 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 25.5 m-85 -119.45 69.47 11.45 Favored Pre-proline 0 N--CA 1.477 0.89 0 N-CA-C 107.676 -1.231 . . . . 25.0 107.676 -179.961 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -69.37 140.16 43.42 Favored 'Trans proline' 0 C--O 1.209 -0.927 0 C-N-CA 116.905 -1.597 . . . . 25.0 110.62 -171.026 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 81.1 -25.11 3.7 Favored Glycine 0 N--CA 1.44 -1.058 0 CA-C-O 117.136 -1.925 . . . . 25.0 116.863 -174.796 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -96.57 83.89 3.57 Favored 'General case' 0 C--O 1.24 0.555 0 CA-C-N 120.527 2.164 . . . . 25.0 112.381 -172.98 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 21.4 t80 -54.01 -49.53 68.68 Favored 'General case' 0 CA--C 1.549 0.928 0 CA-C-O 118.694 -0.669 . . . . 25.0 110.556 -175.148 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 26.4 pt-20 -56.52 -45.6 81.0 Favored 'General case' 0 CA--C 1.552 1.034 0 CA-C-N 120.125 1.33 . . . . 25.0 111.192 -178.845 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 97.3 mm-40 -68.05 -36.79 80.46 Favored 'General case' 0 C--O 1.24 0.582 0 N-CA-C 114.557 1.318 . . . . 25.0 114.557 177.404 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 70.1 mt-30 -57.13 -38.39 73.38 Favored 'General case' 0 C--O 1.26 1.615 0 O-C-N 124.659 1.225 . . . . 25.0 110.068 175.635 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 91.3 mm-40 -69.87 -41.24 75.09 Favored 'General case' 0 N--CA 1.447 -0.598 0 C-N-CA 119.998 -0.681 . . . . 25.0 109.893 -175.806 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 70.6 mt -61.02 -42.72 94.15 Favored 'Isoleucine or valine' 0 CA--C 1.576 1.981 0 CA-C-O 122.055 0.931 . . . . 25.0 109.904 -177.777 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 42.5 tp -62.09 -49.43 75.98 Favored 'General case' 0 N--CA 1.428 -1.528 0 CA-C-O 122.185 0.993 . . . . 25.0 113.061 179.1 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.522 HD11 ' HA ' ' A' ' 20' ' ' GLN . 33.0 mt -55.09 -42.63 65.98 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 114.538 -1.21 . . . . 25.0 108.945 177.722 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 73.8 mtp180 -64.35 -37.95 89.3 Favored 'General case' 0 N--CA 1.474 0.73 0 O-C-N 121.55 -0.719 . . . . 25.0 110.033 -178.858 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -62.82 -47.61 82.66 Favored 'General case' 0 C--N 1.297 -1.684 0 O-C-N 123.171 0.294 . . . . 25.0 111.714 176.071 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 35.3 mt -62.36 -27.3 68.97 Favored 'General case' 0 CA--C 1.549 0.926 0 N-CA-C 114.58 1.326 . . . . 25.0 114.58 179.294 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 92.1 mt-30 -73.3 -36.97 66.35 Favored 'General case' 0 CA--C 1.568 1.652 0 CA-C-N 115.233 -0.894 . . . . 25.0 111.351 177.65 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -62.96 -37.87 88.84 Favored 'General case' 0 N--CA 1.492 1.631 0 CA-C-N 116.172 -0.467 . . . . 25.0 111.666 172.924 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -65.27 -44.83 86.79 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-O 122.045 0.926 . . . . 25.0 110.738 174.089 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 33.3 t-80 -59.67 -29.37 68.01 Favored 'General case' 0 N--CA 1.434 -1.234 0 N-CA-C 113.239 0.829 . . . . 25.0 113.239 175.889 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 62.6 t80 -63.24 -35.22 79.6 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 120.023 -1.673 . . . . 25.0 109.609 179.341 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 69.1 mt-30 -64.91 -40.06 94.49 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 114.904 -1.044 . . . . 25.0 110.382 176.136 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 8.2 mp0 -70.45 -34.99 73.07 Favored 'General case' 0 N--CA 1.447 -0.576 0 C-N-CA 118.029 -1.469 . . . . 25.0 109.538 179.934 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 17.8 t80 -60.03 -40.24 88.66 Favored 'General case' 0 C--O 1.211 -0.958 0 N-CA-C 113.426 0.899 . . . . 25.0 113.426 175.216 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 37.9 mmt . . . . . 0 CA--C 1.508 -0.667 0 O-C-N 120.751 -1.218 . . . . 25.0 111.76 174.775 . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 18.1 ptmt . . . . . 0 CA--C 1.512 -0.509 0 N-CA-C 118.001 2.593 . . . . 25.0 118.001 . . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 -62.01 -25.85 67.88 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 114.024 1.12 . . . . 25.0 114.024 179.919 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 90.6 mt-30 -66.36 -40.27 89.66 Favored 'General case' 0 C--O 1.205 -1.237 0 O-C-N 121.05 -1.031 . . . . 25.0 109.091 178.311 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 77.4 mt -64.82 -47.6 87.81 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.817 0 N-CA-C 107.016 -1.476 . . . . 25.0 107.016 -178.406 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 78.6 mtp -59.15 -46.78 87.49 Favored 'General case' 0 N--CA 1.427 -1.576 0 C-N-CA 120.186 -0.605 . . . . 25.0 111.092 -179.909 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.59 -37.75 82.39 Favored 'General case' 0 CA--C 1.555 1.146 0 N-CA-C 113.929 1.085 . . . . 25.0 113.929 -178.388 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.25 -44.88 82.46 Favored 'General case' 0 CA--C 1.497 -1.096 0 CA-C-N 116.391 -0.368 . . . . 25.0 110.299 176.897 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 98.0 mt -67.78 -41.35 83.39 Favored 'General case' 0 C--N 1.308 -1.207 0 O-C-N 124.343 1.027 . . . . 25.0 110.354 -177.946 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 96.0 m-20 -69.19 -27.76 65.78 Favored 'General case' 0 C--O 1.248 0.982 0 CA-C-N 115.857 -0.61 . . . . 25.0 110.999 -176.122 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.44 -22.86 65.49 Favored 'General case' 0 N--CA 1.483 1.213 0 N-CA-C 111.757 0.281 . . . . 25.0 111.757 -178.264 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 58.6 mm-40 -75.62 -19.86 58.92 Favored 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 112.888 0.699 . . . . 25.0 112.888 175.464 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 38.0 p -125.95 11.33 7.71 Favored 'General case' 0 N--CA 1.432 -1.343 0 CA-C-O 121.618 0.723 . . . . 25.0 112.582 -171.701 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.08 -65.06 0.62 Allowed 'General case' 0 C--O 1.248 0.992 0 C-N-CA 123.532 0.733 . . . . 25.0 111.882 -176.337 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.0 p -73.98 -25.88 20.64 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.855 0 CA-C-O 122.072 0.939 . . . . 25.0 111.796 -178.464 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 43.2 tt0 -62.81 -42.56 99.77 Favored 'General case' 0 C--O 1.216 -0.685 0 CA-C-O 121.971 0.891 . . . . 25.0 111.505 -179.903 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 18.8 m-30 -77.63 -25.84 50.05 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-O 117.532 -1.223 . . . . 25.0 111.043 177.095 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 55.5 tt0 -67.84 -45.06 75.69 Favored 'General case' 0 C--O 1.243 0.726 0 CA-C-O 121.799 0.809 . . . . 25.0 109.257 179.67 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 19.2 mm100 -64.19 -40.85 96.95 Favored 'General case' 0 N--CA 1.441 -0.904 0 CA-C-O 122.637 1.208 . . . . 25.0 110.297 178.01 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 87.1 t80 -64.44 -41.96 96.26 Favored 'General case' 0 N--CA 1.468 0.454 0 O-C-N 120.822 -1.174 . . . . 25.0 112.051 177.459 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.15 -41.37 88.14 Favored 'General case' 0 N--CA 1.434 -1.235 0 CA-C-O 119.48 -0.295 . . . . 25.0 110.872 -177.511 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.16 -26.11 65.6 Favored 'General case' 0 C--N 1.319 -0.749 0 O-C-N 125.726 1.891 . . . . 25.0 111.386 -177.737 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -75.4 -25.03 57.28 Favored 'General case' 0 CA--C 1.552 1.042 0 C-N-CA 123.517 0.727 . . . . 25.0 110.514 -179.427 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 83.2 mm-40 -95.66 -43.77 7.76 Favored 'General case' 0 CA--C 1.554 1.105 0 N-CA-C 114.221 1.193 . . . . 25.0 114.221 179.136 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -125.89 68.69 63.64 Favored Pre-proline 0 N--CA 1.47 0.54 0 CA-C-O 122.413 1.102 . . . . 25.0 111.211 -179.574 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 70.7 Cg_endo -72.07 143.54 40.54 Favored 'Trans proline' 0 CA--C 1.534 0.487 0 C-N-CA 116.567 -1.822 . . . . 25.0 112.743 -175.067 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.19 -3.43 58.16 Favored Glycine 0 C--O 1.267 2.215 0 C-N-CA 119.722 -1.227 . . . . 25.0 113.879 -176.749 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -117.35 85.12 2.27 Favored 'General case' 0 C--O 1.196 -1.753 0 CA-C-O 122.004 0.906 . . . . 25.0 111.398 176.323 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 26.4 t80 -54.94 -44.41 74.27 Favored 'General case' 0 C--O 1.21 -0.983 0 N-CA-C 113.301 0.852 . . . . 25.0 113.301 177.797 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -62.76 -42.55 99.73 Favored 'General case' 0 N--CA 1.48 1.053 0 N-CA-C 113.926 1.084 . . . . 25.0 113.926 -178.906 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 97.9 mm-40 -67.61 -34.58 77.29 Favored 'General case' 0 C--O 1.251 1.142 0 O-C-N 121.33 -0.856 . . . . 25.0 111.21 176.115 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 69.5 mt-30 -62.97 -35.91 81.73 Favored 'General case' 0 C--N 1.308 -1.222 0 CA-C-O 122.251 1.024 . . . . 25.0 110.924 178.042 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 40.5 mm-40 -70.24 -42.74 71.81 Favored 'General case' 0 C--O 1.2 -1.501 0 N-CA-C 107.675 -1.231 . . . . 25.0 107.675 179.582 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 68.6 mt -59.83 -39.94 81.32 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.518 0 CA-C-O 122.864 1.316 . . . . 25.0 109.888 -177.315 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 26.4 tp -64.59 -53.3 49.85 Favored 'General case' 0 C--O 1.206 -1.222 0 CA-C-N 114.818 -1.083 . . . . 25.0 112.086 -178.583 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 61.8 mt -53.68 -42.25 50.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 C-N-CA 123.522 0.729 . . . . 25.0 110.669 176.623 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 22.2 ttm180 -54.68 -45.61 73.94 Favored 'General case' 0 C--O 1.249 1.078 0 CA-C-N 118.116 0.417 . . . . 25.0 110.29 177.512 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 58.5 mt-30 -65.65 -40.7 92.74 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 113.804 1.038 . . . . 25.0 113.804 178.016 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 44.7 mt -65.82 -40.23 91.63 Favored 'General case' 0 CA--C 1.56 1.352 0 C-N-CA 119.308 -0.957 . . . . 25.0 109.212 -179.888 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 -61.31 -33.24 73.27 Favored 'General case' 0 C--N 1.309 -1.193 0 CA-C-N 116.122 -0.49 . . . . 25.0 112.03 175.764 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -67.53 -42.7 82.31 Favored 'General case' 0 C--N 1.316 -0.878 0 O-C-N 121.351 -0.843 . . . . 25.0 112.641 177.339 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -61.21 -49.39 77.35 Favored 'General case' 0 C--N 1.353 0.732 0 CA-C-O 121.339 0.59 . . . . 25.0 109.815 177.406 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 11.7 t60 -63.81 -38.98 93.1 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-O 118.833 -0.603 . . . . 25.0 110.937 -178.485 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 38.1 t80 -63.6 -41.8 98.3 Favored 'General case' 0 CA--C 1.505 -0.766 0 N-CA-C 113.889 1.07 . . . . 25.0 113.889 176.133 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -64.13 -34.86 79.02 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 120.229 -0.589 . . . . 25.0 111.879 177.579 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.9 tp-100 -61.14 -41.58 96.99 Favored 'General case' 0 C--N 1.314 -0.968 0 C-N-CA 120.132 -0.627 . . . . 25.0 110.39 178.308 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 28.7 t80 -72.12 -38.44 69.28 Favored 'General case' 0 C--N 1.344 0.35 0 CA-C-O 122.089 0.947 . . . . 25.0 110.408 -178.093 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 30.3 mmt . . . . . 0 C--O 1.197 -1.666 0 CA-C-N 115.437 -0.801 . . . . 25.0 110.683 174.539 . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt . . . . . 0 C--O 1.241 0.611 0 N-CA-C 113.645 0.98 . . . . 25.0 113.645 . . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 68.5 mt-30 -65.57 -30.43 71.16 Favored 'General case' 0 C--N 1.306 -1.312 0 CA-C-N 114.297 -1.32 . . . . 25.0 112.433 176.601 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 9.6 mm-40 -58.49 -39.0 78.79 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.28 -0.418 . . . . 25.0 111.965 171.997 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 56.6 mt -71.74 -40.86 70.39 Favored 'Isoleucine or valine' 0 C--N 1.351 0.664 0 N-CA-C 104.028 -2.582 . . . . 25.0 104.028 -173.611 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 61.5 mtp -64.32 -37.07 86.18 Favored 'General case' 0 CA--C 1.507 -0.689 0 N-CA-C 109.723 -0.473 . . . . 25.0 109.723 -177.107 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.15 -33.98 77.3 Favored 'General case' 0 CA--C 1.543 0.702 0 O-C-N 125.548 1.78 . . . . 25.0 110.388 177.301 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.91 -46.28 68.72 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.548 -0.751 . . . . 25.0 110.745 177.423 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 95.0 mt -63.19 -38.27 90.53 Favored 'General case' 0 C--O 1.207 -1.145 0 C-N-CA 123.745 0.818 . . . . 25.0 109.237 178.103 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -60.57 -38.3 84.12 Favored 'General case' 0 C--N 1.313 -1.018 0 CA-C-O 118.969 -0.539 . . . . 25.0 111.139 -179.951 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 14.7 t -63.46 -37.6 87.92 Favored 'General case' 0 C--O 1.205 -1.249 0 N-CA-C 112.924 0.713 . . . . 25.0 112.924 176.45 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -69.86 -31.36 69.15 Favored 'General case' 0 C--O 1.205 -1.241 0 N-CA-C 115.334 1.605 . . . . 25.0 115.334 179.204 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 72.7 p -114.8 3.9 14.79 Favored 'General case' 0 C--O 1.2 -1.524 0 N-CA-C 113.936 1.087 . . . . 25.0 113.936 -171.045 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -48.54 -64.18 0.87 Allowed 'General case' 0 CA--C 1.547 0.845 0 O-C-N 121.138 -0.976 . . . . 25.0 113.465 -173.62 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 11.3 p -76.23 -29.08 18.89 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.081 0 O-C-N 121.914 -0.491 . . . . 25.0 111.732 -179.072 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 55.9 tt0 -62.58 -45.12 94.34 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 108.106 -1.072 . . . . 25.0 108.106 -178.34 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 14.1 m-30 -75.91 -25.47 56.05 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-O 118.963 -0.541 . . . . 25.0 112.391 176.143 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -64.8 -44.19 90.72 Favored 'General case' 0 CA--C 1.569 1.692 0 C-N-CA 120.386 -0.525 . . . . 25.0 110.567 177.096 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -63.43 -40.87 98.33 Favored 'General case' 0 C--O 1.245 0.848 0 N-CA-C 113.636 0.976 . . . . 25.0 113.636 176.45 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 89.2 t80 -65.89 -41.11 91.95 Favored 'General case' 0 N--CA 1.439 -1.001 0 N-CA-C 113.161 0.8 . . . . 25.0 113.161 173.827 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -68.06 -35.59 78.47 Favored 'General case' 0 CA--C 1.559 1.312 0 CA-C-O 121.773 0.797 . . . . 25.0 111.016 -178.602 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.71 -27.14 65.68 Favored 'General case' 0 N--CA 1.476 0.872 0 O-C-N 120.786 -1.196 . . . . 25.0 113.244 173.511 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -72.76 -20.68 61.14 Favored 'General case' 0 C--O 1.244 0.794 0 N-CA-C 113.261 0.838 . . . . 25.0 113.261 175.222 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 83.1 mm-40 -99.85 -40.6 7.62 Favored 'General case' 0 N--CA 1.496 1.865 0 CA-C-O 122.773 1.273 . . . . 25.0 114.112 -177.238 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 22.8 m-85 -126.44 67.24 64.89 Favored Pre-proline 0 N--CA 1.496 1.83 0 CA-C-N 114.9 -1.046 . . . . 25.0 112.335 -179.452 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -69.0 138.43 40.2 Favored 'Trans proline' 0 CA--C 1.548 1.187 0 C-N-CA 118.591 -0.473 . . . . 25.0 113.319 -174.571 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.44 3.73 83.16 Favored Glycine 0 CA--C 1.537 1.452 0 O-C-N 120.249 -1.532 . . . . 25.0 113.238 -179.923 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -121.42 86.81 2.64 Favored 'General case' 0 N--CA 1.474 0.772 0 O-C-N 120.403 -1.645 . . . . 25.0 111.125 -179.808 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 47.0 t80 -58.74 -47.06 85.92 Favored 'General case' 0 N--CA 1.515 2.782 0 N-CA-C 113.146 0.795 . . . . 25.0 113.146 178.333 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -62.63 -38.37 89.97 Favored 'General case' 0 C--O 1.192 -1.938 0 O-C-N 121.052 -1.03 . . . . 25.0 111.967 179.766 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 97.3 mm-40 -71.55 -35.27 70.56 Favored 'General case' 0 CA--C 1.495 -1.138 0 O-C-N 120.338 -1.476 . . . . 25.0 113.397 -179.933 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 71.3 mt-30 -59.31 -40.49 86.37 Favored 'General case' 0 C--O 1.252 1.186 0 CA-C-N 114.533 -1.212 . . . . 25.0 111.195 175.687 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 63.8 mm-40 -65.7 -43.15 90.06 Favored 'General case' 0 CA--C 1.546 0.8 0 CA-C-O 121.311 0.577 . . . . 25.0 109.562 -177.936 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 93.3 mt -60.1 -45.74 95.31 Favored 'Isoleucine or valine' 0 C--O 1.248 1.019 0 N-CA-C 107.652 -1.24 . . . . 25.0 107.652 -178.916 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 34.8 tp -60.42 -47.24 86.95 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-O 118.386 -0.816 . . . . 25.0 111.897 178.598 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 61.7 mt -57.53 -40.48 75.11 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 CA-C-N 119.484 1.038 . . . . 25.0 110.274 179.887 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.2 -36.21 74.96 Favored 'General case' 0 N--CA 1.475 0.778 0 O-C-N 123.594 0.559 . . . . 25.0 110.842 178.834 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -74.26 -44.3 53.49 Favored 'General case' 0 CA--C 1.501 -0.923 0 C-N-CA 120.179 -0.608 . . . . 25.0 111.136 177.883 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 97.6 mt -60.99 -38.3 85.53 Favored 'General case' 0 N--CA 1.438 -1.052 0 C-N-CA 120.269 -0.573 . . . . 25.0 110.952 -173.978 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 34.9 mm-40 -64.14 -40.15 95.54 Favored 'General case' 0 C--O 1.222 -0.352 0 O-C-N 120.629 -1.294 . . . . 25.0 109.607 -179.612 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -77.38 -29.88 53.42 Favored 'General case' 0 N--CA 1.485 1.295 0 O-C-N 120.634 -1.291 . . . . 25.0 110.036 -176.88 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 77.4 mm-40 -68.15 -44.16 76.65 Favored 'General case' 0 N--CA 1.492 1.629 0 N-CA-C 108.047 -1.094 . . . . 25.0 108.047 179.3 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 25.7 t60 -64.1 -40.26 95.84 Favored 'General case' 0 C--O 1.249 1.037 0 CA-C-O 120.906 0.384 . . . . 25.0 110.934 173.954 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 69.8 t80 -60.83 -34.27 74.31 Favored 'General case' 0 C--O 1.241 0.642 0 N-CA-C 113.272 0.841 . . . . 25.0 113.272 -176.658 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -67.64 -43.94 79.12 Favored 'General case' 0 N--CA 1.501 2.098 0 C-N-CA 119.738 -0.785 . . . . 25.0 109.637 -179.2 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 49.6 tt0 -66.12 -37.09 84.87 Favored 'General case' 0 C--O 1.213 -0.827 0 CA-C-N 116.357 -0.383 . . . . 25.0 110.071 178.188 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 41.5 t80 -61.47 -48.32 81.67 Favored 'General case' 0 C--O 1.203 -1.369 0 C-N-CA 123.39 0.676 . . . . 25.0 109.841 175.877 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.206 -1.192 0 CA-C-N 118.72 0.691 . . . . 25.0 111.742 177.605 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 62.7 mttp . . . . . 0 C--O 1.2 -1.531 0 N-CA-C 114.022 1.119 . . . . 25.0 114.022 . . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 28.2 tt0 -66.12 -28.98 69.21 Favored 'General case' 0 N--CA 1.439 -0.98 0 CA-C-O 119.248 -0.406 . . . . 25.0 111.325 -172.737 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 19.0 mm100 -61.2 -36.85 81.0 Favored 'General case' 0 C--O 1.211 -0.965 0 CA-C-O 118.72 -0.657 . . . . 25.0 112.209 175.077 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 35.4 mt -69.63 -46.02 76.38 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.9 0 C-N-CA 123.26 0.624 . . . . 25.0 109.91 176.32 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 73.6 mtp -65.88 -31.43 72.37 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.06 -0.973 . . . . 25.0 111.61 -177.29 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.87 -38.39 88.69 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.066 -0.716 . . . . 25.0 109.066 175.654 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.86 -44.67 72.87 Favored 'General case' 0 CA--C 1.532 0.256 0 O-C-N 121.109 -0.994 . . . . 25.0 108.51 -178.647 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 80.0 mt -63.21 -36.91 85.2 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-O 118.444 -0.789 . . . . 25.0 110.069 179.024 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -54.09 -40.18 67.01 Favored 'General case' 0 C--N 1.312 -1.045 0 CA-C-O 121.941 0.877 . . . . 25.0 111.416 172.878 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 14.8 m -75.14 -44.88 44.49 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 119.021 -1.072 . . . . 25.0 108.771 -176.566 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -67.25 -37.83 84.15 Favored 'General case' 0 C--O 1.196 -1.741 0 N-CA-C 112.927 0.714 . . . . 25.0 112.927 -173.941 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 75.3 p -106.0 11.65 31.36 Favored 'General case' 0 CA--C 1.502 -0.884 0 N-CA-C 116.225 1.935 . . . . 25.0 116.225 -175.337 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -49.84 -70.51 0.09 Allowed 'General case' 0 CA--C 1.552 1.031 0 N-CA-C 114.316 1.228 . . . . 25.0 114.316 178.601 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 4.5 p -71.58 -26.92 27.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-O 123.31 1.529 . . . . 25.0 110.442 -174.861 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 40.8 tt0 -62.23 -48.97 77.6 Favored 'General case' 0 CA--C 1.557 1.239 0 CA-C-N 113.888 -1.505 . . . . 25.0 107.072 -176.149 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 12.0 m-30 -81.75 -22.71 37.1 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 120.687 -1.258 . . . . 25.0 112.022 -179.239 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -61.76 -27.83 69.01 Favored 'General case' 0 CA--C 1.569 1.689 0 CA-C-O 122.021 0.915 . . . . 25.0 113.435 -177.903 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -58.91 -41.61 87.67 Favored 'General case' 0 C--O 1.259 1.561 0 O-C-N 120.187 -1.57 . . . . 25.0 112.162 177.072 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 72.0 t80 -74.68 -35.17 62.78 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 123.775 0.83 . . . . 25.0 112.994 173.665 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.02 -40.87 97.3 Favored 'General case' 0 C--O 1.213 -0.829 0 C-N-CA 120.774 -0.37 . . . . 25.0 110.024 -179.342 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -73.25 -25.03 60.55 Favored 'General case' 0 N--CA 1.48 1.064 0 O-C-N 124.315 1.009 . . . . 25.0 111.693 -179.66 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 66.4 tt0 -71.05 -25.94 62.87 Favored 'General case' 0 CA--C 1.564 1.518 0 O-C-N 123.744 0.652 . . . . 25.0 110.044 175.232 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 11.5 mm100 -96.46 -46.58 6.31 Favored 'General case' 0 C--N 1.313 -0.995 0 O-C-N 124.1 0.875 . . . . 25.0 112.9 -178.956 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 30.3 m-85 -120.64 70.94 18.33 Favored Pre-proline 0 CA--C 1.562 1.409 0 CA-C-O 121.392 0.615 . . . . 25.0 112.049 179.611 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -67.54 137.29 42.25 Favored 'Trans proline' 0 C--O 1.199 -1.462 0 O-C-N 119.222 -0.988 . . . . 25.0 114.375 -177.662 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 76.86 -13.73 8.38 Favored Glycine 0 CA--C 1.565 3.208 0 N-CA-C 115.94 1.136 . . . . 25.0 115.94 -176.032 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 11.8 m120 -99.53 84.83 3.03 Favored 'General case' 0 C--N 1.309 -1.19 0 O-C-N 120.644 -1.504 . . . . 25.0 109.661 -177.552 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 55.3 t80 -51.88 -48.77 63.93 Favored 'General case' 0 N--CA 1.489 1.476 0 N-CA-C 114.084 1.142 . . . . 25.0 114.084 174.297 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -61.26 -40.94 95.96 Favored 'General case' 0 C--O 1.204 -1.309 0 C-N-CA 118.408 -1.317 . . . . 25.0 112.774 -177.831 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 30.4 mm100 -69.43 -35.89 76.12 Favored 'General case' 0 C--N 1.318 -0.761 0 O-C-N 121.66 -0.65 . . . . 25.0 110.933 -178.893 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 67.8 mt-30 -60.15 -36.56 77.8 Favored 'General case' 0 CA--C 1.504 -0.815 0 CA-C-N 115.462 -0.79 . . . . 25.0 109.824 174.717 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 85.8 mm-40 -70.3 -40.3 74.34 Favored 'General case' 0 N--CA 1.487 1.399 0 N-CA-C 108.421 -0.955 . . . . 25.0 108.421 -177.306 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 84.4 mt -60.69 -42.37 91.73 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.709 0 C-N-CA 123.664 0.786 . . . . 25.0 109.044 -178.32 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 13.2 tp -67.7 -48.94 65.12 Favored 'General case' 0 C--O 1.21 -1.02 0 CA-C-N 115.29 -0.868 . . . . 25.0 110.543 -177.345 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 67.5 mt -53.76 -47.97 61.87 Favored 'Isoleucine or valine' 0 C--O 1.248 1.009 0 C-N-CA 123.484 0.713 . . . . 25.0 110.61 175.563 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 8.0 tmm_? -58.05 -40.67 81.52 Favored 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 119.836 -0.745 . . . . 25.0 110.618 175.9 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 38.5 tt0 -61.37 -46.44 90.17 Favored 'General case' 0 C--O 1.225 -0.227 0 O-C-N 119.562 -1.961 . . . . 25.0 112.901 176.127 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 47.4 mt -59.27 -42.51 91.37 Favored 'General case' 0 C--N 1.3 -1.549 0 N-CA-C 113.481 0.919 . . . . 25.0 113.481 178.721 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -65.4 -35.77 81.96 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.507 -0.77 . . . . 25.0 112.529 175.733 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 87.9 mt-10 -72.36 -33.93 67.62 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 118.813 -1.155 . . . . 25.0 109.802 -178.243 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 4.2 tp60 -66.7 -38.03 85.93 Favored 'General case' 0 CA--C 1.544 0.746 0 CA-C-O 121.824 0.821 . . . . 25.0 109.813 175.186 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 46.0 t-80 -67.86 -39.73 83.73 Favored 'General case' 0 C--O 1.21 -1.015 0 CA-C-O 122.154 0.978 . . . . 25.0 111.804 179.919 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 23.4 t80 -57.2 -31.21 65.22 Favored 'General case' 0 C--N 1.353 0.759 0 O-C-N 121.657 -0.652 . . . . 25.0 110.074 179.032 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -63.41 -44.88 93.39 Favored 'General case' 0 C--O 1.258 1.519 0 O-C-N 121.503 -0.748 . . . . 25.0 110.599 176.729 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -69.45 -32.0 70.66 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 109.131 -0.692 . . . . 25.0 109.131 178.912 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 24.8 t80 -64.69 -37.9 89.15 Favored 'General case' 0 C--O 1.256 1.43 0 CA-C-O 121.394 0.616 . . . . 25.0 111.39 176.114 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.492 -1.26 0 CA-C-N 114.719 -1.128 . . . . 25.0 112.688 175.927 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.446 -0.631 0 N-CA-C 113.883 1.068 . . . . 25.0 113.883 . . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -68.39 -27.32 66.11 Favored 'General case' 0 CA--C 1.505 -0.787 0 O-C-N 121.307 -0.871 . . . . 25.0 111.454 -177.952 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 -62.12 -40.35 95.61 Favored 'General case' 0 CA--C 1.559 1.314 0 N-CA-C 109.614 -0.513 . . . . 25.0 109.614 176.024 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 46.0 mt -73.87 -35.37 42.62 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.298 0 CA-C-N 115.863 -0.608 . . . . 25.0 110.379 -179.814 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 83.0 mtp -65.97 -35.35 80.34 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 119.897 -0.721 . . . . 25.0 111.673 176.98 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.26 -35.21 80.33 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 109.446 -0.576 . . . . 25.0 109.446 179.195 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.26 -49.31 64.83 Favored 'General case' 0 C--O 1.246 0.884 0 C-N-CA 120.631 -0.427 . . . . 25.0 110.146 177.086 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 94.8 mt -61.3 -30.27 70.38 Favored 'General case' 0 N--CA 1.481 1.107 0 N-CA-C 112.554 0.576 . . . . 25.0 112.554 178.693 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -64.0 -38.02 89.56 Favored 'General case' 0 CA--C 1.5 -0.951 0 N-CA-C 108.605 -0.887 . . . . 25.0 108.605 -177.677 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 15.4 t -69.08 -35.67 76.75 Favored 'General case' 0 C--O 1.223 -0.33 0 N-CA-C 111.905 0.335 . . . . 25.0 111.905 -177.661 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -72.13 -39.45 68.82 Favored 'General case' 0 C--O 1.217 -0.627 0 N-CA-C 113.363 0.875 . . . . 25.0 113.363 -178.484 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 76.5 p -109.24 11.33 25.46 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 115.527 1.677 . . . . 25.0 115.527 -170.802 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.47 -64.75 0.81 Allowed 'General case' 0 N--CA 1.478 0.972 0 O-C-N 121.52 -0.737 . . . . 25.0 111.42 -174.686 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 5.4 p -70.6 -24.32 25.16 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.831 0 O-C-N 121.579 -0.7 . . . . 25.0 110.07 -178.755 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 -64.15 -45.71 87.3 Favored 'General case' 0 C--N 1.317 -0.823 0 C-N-CA 122.876 0.47 . . . . 25.0 111.766 177.672 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 21.5 m-30 -83.84 -24.47 30.92 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 112.48 0.548 . . . . 25.0 112.48 177.553 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 46.4 tt0 -61.03 -42.57 98.72 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-O 121.329 0.585 . . . . 25.0 112.509 178.04 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 25.7 mm100 -70.69 -32.19 69.33 Favored 'General case' 0 N--CA 1.432 -1.367 0 O-C-N 121.586 -0.696 . . . . 25.0 112.599 179.045 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 37.3 t80 -71.93 -36.5 69.95 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 109.107 -0.701 . . . . 25.0 109.107 174.861 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.98 -34.15 77.76 Favored 'General case' 0 CA--C 1.497 -1.061 0 N-CA-C 108.582 -0.895 . . . . 25.0 108.582 -179.89 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.57 -26.75 68.0 Favored 'General case' 0 CA--C 1.544 0.744 0 CA-C-N 118.143 0.429 . . . . 25.0 112.07 -179.094 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -80.84 -14.39 58.08 Favored 'General case' 0 C--N 1.308 -1.209 0 N-CA-C 113.847 1.054 . . . . 25.0 113.847 178.782 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 50.7 mm-40 -103.56 -38.4 7.15 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-O 121.289 0.566 . . . . 25.0 110.542 -179.029 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 37.4 m-85 -129.08 70.54 81.69 Favored Pre-proline 0 C--O 1.247 0.949 0 CA-C-N 115.667 -0.697 . . . . 25.0 111.43 177.572 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -67.84 144.85 66.57 Favored 'Trans proline' 0 C--O 1.2 -1.386 0 C-N-CA 114.648 -3.101 . . . . 25.0 112.369 -176.641 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 82.06 -29.22 3.13 Favored Glycine 0 C--O 1.219 -0.79 0 N-CA-C 114.779 0.672 . . . . 25.0 114.779 -179.474 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -97.35 84.67 3.5 Favored 'General case' 0 CA--C 1.494 -1.192 0 O-C-N 122.074 -0.663 . . . . 25.0 111.887 -171.535 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 47.4 t80 -53.94 -44.29 70.54 Favored 'General case' 0 C--N 1.317 -0.844 0 O-C-N 124.343 1.027 . . . . 25.0 112.105 179.243 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -60.73 -43.31 98.04 Favored 'General case' 0 C--O 1.213 -0.858 0 C-N-CA 120.019 -0.672 . . . . 25.0 111.07 -179.61 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 30.6 mm100 -71.47 -36.57 71.22 Favored 'General case' 0 CA--C 1.507 -0.699 0 CA-C-O 122.183 0.992 . . . . 25.0 112.307 -179.399 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 60.1 mt-30 -56.99 -37.54 71.79 Favored 'General case' 0 N--CA 1.477 0.925 0 CA-C-O 122.099 0.952 . . . . 25.0 110.852 174.367 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 93.7 mm-40 -75.62 -37.36 59.81 Favored 'General case' 0 C--N 1.321 -0.671 0 O-C-N 121.617 -0.677 . . . . 25.0 112.552 -176.263 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 79.7 mt -60.13 -40.86 84.65 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.726 0 N-CA-C 107.404 -1.332 . . . . 25.0 107.404 175.752 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 18.2 tp -66.3 -46.88 75.42 Favored 'General case' 0 C--O 1.219 -0.523 0 CA-C-O 121.307 0.575 . . . . 25.0 112.438 -179.941 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 48.8 mt -58.47 -38.35 69.66 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 N-CA-C 108.499 -0.926 . . . . 25.0 108.499 179.148 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 5.7 tpt180 -55.2 -47.95 74.55 Favored 'General case' 0 C--O 1.244 0.793 0 CA-C-N 119.577 1.081 . . . . 25.0 110.274 177.271 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 49.7 tt0 -65.64 -43.42 89.5 Favored 'General case' 0 N--CA 1.476 0.825 0 CA-C-O 118.777 -0.63 . . . . 25.0 111.64 -179.768 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 56.5 mt -59.51 -41.59 90.27 Favored 'General case' 0 N--CA 1.48 1.041 0 N-CA-C 108.682 -0.859 . . . . 25.0 108.682 -176.251 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -69.46 -31.46 69.77 Favored 'General case' 0 C--O 1.254 1.319 0 O-C-N 121.841 -0.537 . . . . 25.0 110.556 -178.66 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -68.18 -39.26 82.57 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.314 -0.403 . . . . 25.0 110.589 178.734 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -73.89 -38.56 64.34 Favored 'General case' 0 CA--C 1.546 0.827 0 CA-C-N 116.043 -0.526 . . . . 25.0 112.085 177.511 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 41.9 t-80 -62.05 -31.68 72.12 Favored 'General case' 0 CA--C 1.554 1.101 0 N-CA-C 109.026 -0.731 . . . . 25.0 109.026 176.09 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 63.5 t80 -61.86 -35.96 79.84 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-N 118.089 0.404 . . . . 25.0 110.635 176.96 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 81.5 mt-30 -73.02 -37.51 66.89 Favored 'General case' 0 N--CA 1.48 1.061 0 O-C-N 121.568 -0.707 . . . . 25.0 111.083 -179.295 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -66.14 -39.95 90.23 Favored 'General case' 0 C--O 1.249 1.058 0 CA-C-O 121.595 0.712 . . . . 25.0 109.862 175.799 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 19.4 t80 -65.97 -43.21 88.54 Favored 'General case' 0 C--N 1.301 -1.515 0 CA-C-N 115.876 -0.602 . . . . 25.0 110.83 177.948 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.323 -0.578 0 N-CA-C 108.707 -0.849 . . . . 25.0 108.707 179.8 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 17.8 pttm . . . . . 0 N--CA 1.476 0.859 0 N-CA-C 113.686 0.995 . . . . 25.0 113.686 . . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 9.4 tm0? -70.12 -30.27 67.42 Favored 'General case' 0 N--CA 1.429 -1.514 0 CA-C-O 118.635 -0.698 . . . . 25.0 111.725 -178.994 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -59.22 -40.21 85.12 Favored 'General case' 0 N--CA 1.481 1.092 0 CA-C-O 121.807 0.813 . . . . 25.0 112.498 175.964 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 16.9 mt -66.8 -38.41 81.44 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.166 0 N-CA-C 109.123 -0.695 . . . . 25.0 109.123 177.685 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 73.8 mtp -66.01 -37.56 86.22 Favored 'General case' 0 C--O 1.212 -0.894 0 O-C-N 121.076 -1.015 . . . . 25.0 111.63 -178.678 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.87 -42.49 99.13 Favored 'General case' 0 CA--C 1.563 1.47 0 CA-C-N 115.938 -0.574 . . . . 25.0 109.539 178.215 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.8 -49.02 76.6 Favored 'General case' 0 C--O 1.255 1.352 0 N-CA-C 113.11 0.782 . . . . 25.0 113.11 176.482 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 86.2 mt -62.28 -36.19 81.33 Favored 'General case' 0 C--N 1.351 0.648 0 O-C-N 121.723 -0.61 . . . . 25.0 109.363 179.665 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 -70.37 -31.39 68.63 Favored 'General case' 0 C--O 1.203 -1.389 0 CA-C-O 122.497 1.142 . . . . 25.0 109.171 -174.541 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 51.1 m -68.42 -45.83 71.55 Favored 'General case' 0 CA--C 1.554 1.105 0 CA-C-N 115.131 -0.941 . . . . 25.0 109.974 -176.303 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -76.67 -9.4 58.64 Favored 'General case' 0 C--O 1.217 -0.625 0 N-CA-C 115.647 1.721 . . . . 25.0 115.647 -176.288 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 74.1 p -120.03 9.27 11.16 Favored 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 113.451 0.908 . . . . 25.0 113.451 176.766 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.66 -62.57 1.7 Allowed 'General case' 0 C--N 1.316 -0.885 0 CA-C-O 121.152 0.501 . . . . 25.0 112.093 -176.667 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 5.1 p -68.94 -36.39 73.76 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.071 0 CA-C-N 116.093 -0.503 . . . . 25.0 110.944 179.539 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -62.53 -44.99 94.99 Favored 'General case' 0 CA--C 1.516 -0.357 0 N-CA-C 109.188 -0.671 . . . . 25.0 109.188 -176.612 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 12.8 m-30 -76.97 -27.68 54.86 Favored 'General case' 0 C--O 1.195 -1.804 0 N-CA-C 109.016 -0.735 . . . . 25.0 109.016 -178.661 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 44.6 tt0 -60.64 -42.33 96.72 Favored 'General case' 0 C--O 1.245 0.841 0 O-C-N 121.14 -0.975 . . . . 25.0 109.004 176.509 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 33.4 mm-40 -61.12 -42.45 98.55 Favored 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 110.52 -0.178 . . . . 25.0 110.52 -179.788 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 78.8 t80 -69.91 -32.19 70.36 Favored 'General case' 0 N--CA 1.481 1.086 0 N-CA-C 115.012 1.486 . . . . 25.0 115.012 173.395 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.89 -30.88 65.85 Favored 'General case' 0 CA--C 1.547 0.856 0 O-C-N 120.342 -1.474 . . . . 25.0 108.66 -176.386 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.98 -21.41 63.24 Favored 'General case' 0 C--O 1.217 -0.645 0 C-N-CA 123.488 0.715 . . . . 25.0 110.544 176.299 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 40.5 tt0 -85.37 -10.23 56.57 Favored 'General case' 0 C--N 1.313 -0.998 0 CA-C-O 121.843 0.83 . . . . 25.0 108.999 -177.045 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 34.3 mm-40 -106.51 -47.13 3.84 Favored 'General case' 0 C--O 1.239 0.513 0 CA-C-N 115.203 -0.908 . . . . 25.0 110.23 177.587 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 31.5 m-85 -120.38 72.95 20.57 Favored Pre-proline 0 CA--C 1.557 1.237 0 CA-C-O 120.731 0.301 . . . . 25.0 110.497 179.902 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_endo -65.98 146.48 82.66 Favored 'Trans proline' 0 C--N 1.368 1.568 0 C-N-CA 115.393 -2.604 . . . . 25.0 111.522 -178.854 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 74.07 6.89 75.33 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 116.4 1.32 . . . . 25.0 116.4 174.037 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -131.33 77.53 1.78 Allowed 'General case' 0 N--CA 1.444 -0.773 0 CA-C-N 115.01 -0.595 . . . . 25.0 109.457 -177.585 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -54.2 -42.83 70.17 Favored 'General case' 0 CA--C 1.557 1.225 0 N-CA-C 108.621 -0.881 . . . . 25.0 108.621 178.28 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -56.25 -47.43 78.54 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.028 -1.045 . . . . 25.0 111.784 -179.532 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.407 ' HA ' HD12 ' A' ' 36' ' ' ILE . 27.8 mm100 -70.66 -33.4 70.9 Favored 'General case' 0 N--CA 1.439 -0.99 0 N-CA-C 113.597 0.962 . . . . 25.0 113.597 178.208 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -57.98 -37.82 74.93 Favored 'General case' 0 C--O 1.259 1.596 0 C-N-CA 120.121 -0.631 . . . . 25.0 110.617 174.018 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 59.3 mm-40 -70.22 -31.79 69.38 Favored 'General case' 0 N--CA 1.485 1.316 0 CA-C-O 123.817 1.77 . . . . 25.0 111.17 -172.893 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.407 HD12 ' HA ' ' A' ' 33' ' ' GLN . 85.5 mt -68.91 -41.9 82.19 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.99 0 CA-C-N 114.025 -1.443 . . . . 25.0 108.756 -179.34 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 33.0 tp -64.92 -46.2 82.65 Favored 'General case' 0 C--N 1.308 -1.213 0 CA-C-N 114.592 -1.186 . . . . 25.0 112.817 -177.877 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 67.6 mt -58.26 -31.27 41.95 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.917 0 CA-C-N 115.733 -0.667 . . . . 25.0 110.409 173.835 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 11.9 ttp85 -59.95 -42.45 94.09 Favored 'General case' 0 N--CA 1.434 -1.24 0 C-N-CA 118.483 -1.287 . . . . 25.0 110.639 -179.747 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 64.4 tp60 -77.01 -38.51 52.88 Favored 'General case' 0 C--O 1.242 0.684 0 CA-C-O 121.397 0.617 . . . . 25.0 110.794 -176.402 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 71.2 mt -53.91 -43.42 69.69 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 122.987 1.375 . . . . 25.0 110.156 177.978 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 99.4 mt-30 -68.56 -39.92 80.82 Favored 'General case' 0 C--O 1.275 2.422 0 O-C-N 121.415 -0.803 . . . . 25.0 111.282 -178.031 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -59.87 -44.01 94.4 Favored 'General case' 0 N--CA 1.489 1.477 0 CA-C-O 121.57 0.7 . . . . 25.0 111.577 176.525 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -68.12 -38.2 81.99 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 121.364 -0.835 . . . . 25.0 110.964 177.863 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 10.5 t60 -63.4 -34.38 77.6 Favored 'General case' 0 N--CA 1.44 -0.927 0 C-N-CA 119.718 -0.793 . . . . 25.0 111.433 175.18 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 10.4 t80 -59.2 -37.35 77.22 Favored 'General case' 0 C--O 1.218 -0.566 0 O-C-N 120.885 -1.135 . . . . 25.0 112.853 176.957 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -67.67 -40.41 84.43 Favored 'General case' 0 C--O 1.254 1.297 0 N-CA-C 108.656 -0.868 . . . . 25.0 108.656 179.454 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -65.72 -40.89 92.66 Favored 'General case' 0 N--CA 1.481 1.103 0 CA-C-O 122.28 1.038 . . . . 25.0 109.008 -179.403 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 34.2 t80 -67.58 -43.05 81.48 Favored 'General case' 0 C--N 1.3 -1.56 0 N-CA-C 107.923 -1.14 . . . . 25.0 107.923 -178.168 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.487 -1.443 0 N-CA-C 113.535 0.939 . . . . 25.0 113.535 176.267 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.629 0 CA-C-O 123.828 1.775 . . . . 25.0 114.239 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 28.6 tt0 -78.8 105.74 10.32 Favored 'General case' 0 C--O 1.224 -0.262 0 O-C-N 120.781 -1.199 . . . . 25.0 111.766 -177.693 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -95.05 14.15 22.81 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 114.476 1.288 . . . . 25.0 114.476 -175.674 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 72.6 mmtt -53.15 -47.05 69.05 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 116.129 1.9 . . . . 25.0 116.129 -175.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 23.1 pt20 -67.47 -22.26 65.48 Favored 'General case' 0 N--CA 1.468 0.438 0 N-CA-C 114.117 1.154 . . . . 25.0 114.117 -174.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 16.6 mm-40 -61.87 -37.12 83.37 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 121.544 0.688 . . . . 25.0 109.906 177.65 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 16.4 mt -67.61 -37.44 78.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.403 -0.817 . . . . 25.0 108.867 -178.608 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 69.7 mtp -65.81 -36.96 84.98 Favored 'General case' 0 C--O 1.223 -0.339 0 O-C-N 122.091 -0.381 . . . . 25.0 111.111 178.392 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.45 -40.81 85.39 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.229 0.538 . . . . 25.0 110.044 178.688 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.1 -46.03 82.75 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.161 0.505 . . . . 25.0 110.312 178.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 57.2 mt -63.15 -33.08 74.69 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.853 -0.612 . . . . 25.0 110.686 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -57.95 -51.08 71.12 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 110.199 -0.297 . . . . 25.0 110.199 178.137 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 19.8 m -65.3 -36.99 85.76 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 112.307 0.484 . . . . 25.0 112.307 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 20.5 mm-40 -71.39 -28.26 63.9 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.986 0.735 . . . . 25.0 112.986 -177.156 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 74.5 p -112.13 5.75 18.74 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 113.149 0.796 . . . . 25.0 113.149 -175.039 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.35 -68.64 0.16 Allowed 'General case' 0 CA--C 1.533 0.315 0 N-CA-C 113.67 0.989 . . . . 25.0 113.67 -174.528 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.9 p -70.7 -27.31 30.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 C-N-CA 120.128 -0.629 . . . . 25.0 110.619 -177.569 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 37.0 tt0 -59.76 -47.81 84.18 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 120.973 0.416 . . . . 25.0 110.339 179.353 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 16.5 m-30 -81.99 -24.69 35.31 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.477 -0.328 . . . . 25.0 111.078 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.522 ' HA ' HD11 ' A' ' 38' ' ' ILE . 46.6 tt0 -62.47 -41.22 98.62 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 122.056 -0.402 . . . . 25.0 111.077 178.35 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -62.89 -39.9 95.92 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.853 -0.425 . . . . 25.0 109.853 179.721 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 86.4 t80 -69.29 -43.26 74.2 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.039 0.447 . . . . 25.0 111.749 177.8 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.44 -36.91 81.7 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 122.117 -0.365 . . . . 25.0 111.253 -177.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.35 -26.07 67.11 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.542 -0.299 . . . . 25.0 111.619 179.37 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -76.65 -28.99 56.23 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.015 0.436 . . . . 25.0 110.077 178.439 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 30.1 mm100 -89.01 -44.42 10.41 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 113.06 0.763 . . . . 25.0 113.06 -176.279 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -122.47 67.12 27.37 Favored Pre-proline 0 C--O 1.241 0.654 0 CA-C-N 116.154 -0.476 . . . . 25.0 109.86 179.453 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -68.64 142.34 52.86 Favored 'Trans proline' 0 C--N 1.348 0.548 0 C-N-CA 115.761 -2.359 . . . . 25.0 111.677 -177.063 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 82.31 -15.77 27.07 Favored Glycine 0 C--O 1.223 -0.573 0 N-CA-C 114.905 0.722 . . . . 25.0 114.905 -178.623 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 8.4 m120 -109.34 84.18 1.88 Allowed 'General case' 0 CA--C 1.514 -0.441 0 CA-C-N 118.249 1.024 . . . . 25.0 109.92 -178.749 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 52.1 t80 -55.09 -42.28 72.64 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.648 -0.705 . . . . 25.0 110.979 178.569 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -57.71 -46.8 83.91 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 112.36 0.504 . . . . 25.0 112.36 179.225 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.433 ' HA ' HD12 ' A' ' 36' ' ' ILE . 80.9 mt-30 -72.56 -33.45 66.8 Favored 'General case' 0 CA--C 1.508 -0.667 0 O-C-N 122.128 -0.358 . . . . 25.0 111.241 -178.401 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 68.7 mt-30 -58.55 -38.17 77.27 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.201 -0.666 . . . . 25.0 109.201 175.824 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 95.6 mm-40 -71.63 -39.39 70.45 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-O 120.961 0.41 . . . . 25.0 111.06 -177.723 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.433 HD12 ' HA ' ' A' ' 33' ' ' GLN . 72.9 mt -63.13 -42.34 96.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 109.337 -0.616 . . . . 25.0 109.337 178.584 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 47.3 tp -63.04 -49.66 73.69 Favored 'General case' 0 C--O 1.22 -0.478 0 CA-C-N 116.486 -0.324 . . . . 25.0 110.79 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.522 HD11 ' HA ' ' A' ' 20' ' ' GLN . 61.4 mt -56.59 -39.78 64.74 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 CA-C-O 120.641 0.257 . . . . 25.0 110.803 179.079 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 70.4 ttt180 -57.12 -43.71 82.59 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.571 0.224 . . . . 25.0 110.99 178.533 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 47.5 tt0 -73.34 -34.64 65.76 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 111.637 0.236 . . . . 25.0 111.637 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 98.3 mt -62.34 -39.47 93.2 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 109.177 -0.675 . . . . 25.0 109.177 179.085 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -68.06 -36.26 79.57 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.517 -0.311 . . . . 25.0 111.214 179.355 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -68.9 -40.8 78.93 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.046 0.451 . . . . 25.0 110.343 179.323 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -68.86 -37.31 79.0 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 121.715 -0.615 . . . . 25.0 109.647 178.783 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 66.0 t-80 -62.16 -32.99 73.66 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 121.857 -0.527 . . . . 25.0 109.929 175.699 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 20.9 t80 -63.4 -34.49 77.84 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 121.69 -0.632 . . . . 25.0 111.099 178.825 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -65.8 -43.18 89.48 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.035 -0.728 . . . . 25.0 109.035 178.487 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 41.7 tt0 -64.35 -41.18 96.89 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.197 -0.456 . . . . 25.0 109.787 178.183 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 22.4 t80 -60.26 -39.73 87.84 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.132 0.491 . . . . 25.0 110.49 179.424 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.04 -38.22 79.03 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 121.868 -0.52 . . . . 25.0 111.654 179.057 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 32.9 mm-40 -66.16 -37.77 86.46 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 110.222 -0.288 . . . . 25.0 110.222 177.062 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -63.86 -44.15 93.96 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.665 -0.494 . . . . 25.0 109.665 177.748 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 44.3 mt -62.71 -30.02 71.1 Favored 'General case' 0 N--CA 1.468 0.448 0 N-CA-C 112.663 0.616 . . . . 25.0 112.663 -178.619 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -64.64 -39.27 93.4 Favored 'General case' 0 CA--C 1.54 0.56 0 O-C-N 121.866 -0.521 . . . . 25.0 110.218 176.245 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 68.6 mt-30 -72.09 -35.87 69.33 Favored 'General case' 0 C--N 1.322 -0.6 0 O-C-N 121.948 -0.47 . . . . 25.0 110.109 179.304 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 82.9 t -65.54 -39.22 84.41 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.553 0 N-CA-C 109.177 -0.675 . . . . 25.0 109.177 178.313 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 11.4 mm-40 -57.48 -49.9 74.78 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.838 -0.43 . . . . 25.0 109.838 176.486 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 85.9 mt -65.42 -35.15 80.06 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.313 0.486 . . . . 25.0 112.313 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.55 -43.75 96.88 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.129 0.49 . . . . 25.0 109.952 177.466 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 58.9 mt-30 -69.94 -34.44 73.44 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 120.227 -0.589 . . . . 25.0 110.883 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 -64.51 -46.19 84.0 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.637 -0.425 . . . . 25.0 111.256 178.057 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 21.0 pt20 -67.48 -29.94 69.51 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 119.964 -0.694 . . . . 25.0 110.831 -178.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.97 -30.08 71.04 Favored 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 110.589 -0.152 . . . . 25.0 110.589 178.317 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -87.93 -21.41 24.93 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 111.877 0.325 . . . . 25.0 111.877 179.332 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 58.1 mt -91.94 -41.29 10.66 Favored 'General case' 0 C--O 1.219 -0.551 0 N-CA-C 112.584 0.587 . . . . 25.0 112.584 -175.283 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 71.1 mm-40 47.06 36.34 4.14 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 114.369 1.248 . . . . 25.0 114.369 178.818 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 65.0 pttt -95.36 24.19 5.29 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-O 121.38 0.609 . . . . 25.0 110.569 179.655 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 91.6 mt-30 -149.43 163.14 38.62 Favored 'General case' 0 N--CA 1.443 -0.819 0 N-CA-C 100.538 -3.875 . . . . 25.0 100.538 178.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 . . . . . 0 N--CA 1.487 1.422 0 CA-C-O 126.284 2.945 . . . . 25.0 112.744 -179.928 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 53.1 ttm . . . . . 0 N--CA 1.488 1.428 0 N-CA-C 115.528 1.677 . . . . 25.0 115.528 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -99.61 -10.49 21.95 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-O 121.759 0.79 . . . . 25.0 111.328 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 10.8 mp0 -81.92 76.84 8.8 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.243 -0.89 . . . . 25.0 112.46 -173.804 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 25.5 pttm -48.86 -37.05 18.4 Favored 'General case' 0 N--CA 1.48 1.07 0 N-CA-C 114.712 1.375 . . . . 25.0 114.712 -179.363 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -69.93 -26.93 64.37 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 113.307 0.854 . . . . 25.0 113.307 -176.205 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 16.5 mm100 -62.62 -40.45 97.0 Favored 'General case' 0 N--CA 1.471 0.625 0 CA-C-O 121.409 0.623 . . . . 25.0 109.599 177.635 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 39.4 mt -68.41 -43.03 84.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 114.515 -1.22 . . . . 25.0 108.308 -176.536 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 75.3 mtp -63.07 -39.81 95.82 Favored 'General case' 0 C--O 1.215 -0.719 0 CA-C-N 116.305 -0.407 . . . . 25.0 110.801 177.61 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.99 -40.01 96.46 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 121.717 -0.615 . . . . 25.0 110.545 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.8 -44.1 82.15 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-O 120.985 0.421 . . . . 25.0 111.274 178.502 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 63.9 mt -64.13 -39.79 94.8 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.795 0.331 . . . . 25.0 110.364 178.712 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 66.9 m-20 -63.94 -36.21 83.22 Favored 'General case' 0 C--O 1.21 -0.986 0 N-CA-C 109.78 -0.452 . . . . 25.0 109.78 179.503 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 22.4 t -65.72 -34.68 78.76 Favored 'General case' 0 N--CA 1.469 0.512 0 O-C-N 121.728 -0.607 . . . . 25.0 111.287 179.467 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 69.0 mt-30 -73.51 -25.66 60.53 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-O 120.788 0.327 . . . . 25.0 111.782 -178.715 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 60.3 p -112.78 -3.64 14.16 Favored 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 113.723 1.009 . . . . 25.0 113.723 -172.209 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -49.46 -61.56 2.03 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 113.321 0.86 . . . . 25.0 113.321 -174.554 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.7 p -75.52 -28.99 20.39 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.577 0 CA-C-O 120.886 0.374 . . . . 25.0 111.515 -178.212 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 27.1 tt0 -64.06 -47.99 77.98 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-O 121.394 0.616 . . . . 25.0 110.751 -178.082 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 19.5 m-30 -74.59 -24.09 58.83 Favored 'General case' 0 C--O 1.215 -0.761 0 CA-C-N 116.216 -0.447 . . . . 25.0 110.255 178.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.416 ' HA ' HD11 ' A' ' 38' ' ' ILE . 19.7 tt0 -63.42 -40.11 96.29 Favored 'General case' 0 C--N 1.323 -0.582 0 O-C-N 121.818 -0.551 . . . . 25.0 111.622 178.541 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -64.86 -41.48 95.64 Favored 'General case' 0 C--O 1.218 -0.566 0 C-N-CA 120.468 -0.493 . . . . 25.0 110.218 179.008 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 62.3 t80 -65.56 -41.91 92.44 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.367 0.603 . . . . 25.0 110.554 177.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.414 ' HA ' HD23 ' A' ' 37' ' ' LEU . . . -64.75 -37.69 88.44 Favored 'General case' 0 C--N 1.317 -0.814 0 O-C-N 121.859 -0.526 . . . . 25.0 110.717 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.83 -30.33 69.71 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.794 -0.447 . . . . 25.0 109.794 179.66 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -71.49 -28.6 64.03 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.288 0.566 . . . . 25.0 110.993 179.284 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -91.96 -45.21 8.46 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.541 -0.754 . . . . 25.0 112.489 -176.175 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -122.73 67.13 29.54 Favored Pre-proline 0 C--N 1.326 -0.419 0 CA-C-N 116.191 -0.458 . . . . 25.0 111.035 179.575 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -68.08 142.34 55.86 Favored 'Trans proline' 0 C--N 1.35 0.61 0 C-N-CA 116.21 -2.06 . . . . 25.0 112.32 -178.441 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 82.11 -12.24 44.84 Favored Glycine 0 C--O 1.228 -0.249 0 N-CA-C 114.952 0.741 . . . . 25.0 114.952 -179.454 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -112.73 85.9 2.26 Favored 'General case' 0 N--CA 1.466 0.346 0 O-C-N 121.493 -1.004 . . . . 25.0 111.167 -178.374 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 24.6 t80 -54.34 -43.33 71.14 Favored 'General case' 0 C--O 1.217 -0.652 0 N-CA-C 111.903 0.334 . . . . 25.0 111.903 179.469 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 19.8 pt-20 -63.27 -43.12 98.87 Favored 'General case' 0 C--O 1.216 -0.675 0 N-CA-C 113.119 0.785 . . . . 25.0 113.119 -178.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.41 ' HA ' HD12 ' A' ' 36' ' ' ILE . 86.1 mm-40 -69.15 -36.19 77.15 Favored 'General case' 0 CA--C 1.509 -0.62 0 CA-C-O 121.365 0.602 . . . . 25.0 110.281 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -59.02 -36.67 75.36 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.082 -0.71 . . . . 25.0 109.082 175.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 93.0 mm-40 -75.04 -36.01 61.87 Favored 'General case' 0 N--CA 1.47 0.532 0 O-C-N 121.946 -0.472 . . . . 25.0 110.881 -177.133 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.41 HD12 ' HA ' ' A' ' 33' ' ' GLN . 86.0 mt -60.99 -45.24 98.91 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 N-CA-C 108.665 -0.865 . . . . 25.0 108.665 178.187 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.414 HD23 ' HA ' ' A' ' 23' ' ' ALA . 38.7 tp -62.13 -51.01 69.6 Favored 'General case' 0 C--O 1.22 -0.458 0 CA-C-N 116.583 -0.28 . . . . 25.0 111.404 179.78 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.416 HD11 ' HA ' ' A' ' 20' ' ' GLN . 71.4 mt -56.26 -42.79 74.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 N-CA-C 112.285 0.476 . . . . 25.0 112.285 -179.835 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 94.8 mtm-85 -62.52 -38.98 92.07 Favored 'General case' 0 N--CA 1.474 0.751 0 O-C-N 121.541 -0.725 . . . . 25.0 110.88 179.43 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 36.7 tp60 -64.48 -39.77 94.42 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.805 0.336 . . . . 25.0 110.181 179.543 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 82.9 mt -64.78 -42.05 95.38 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-O 121.459 0.647 . . . . 25.0 110.849 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -68.73 -35.19 76.81 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 115.787 -0.642 . . . . 25.0 111.385 -176.221 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -64.08 -43.0 96.75 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.256 0.55 . . . . 25.0 110.342 177.132 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 63.0 tp60 -69.56 -35.88 75.8 Favored 'General case' 0 CA--C 1.542 0.648 0 O-C-N 121.755 -0.59 . . . . 25.0 111.357 178.511 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 29.0 t-80 -63.77 -33.93 76.77 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.135 0.493 . . . . 25.0 110.771 177.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 32.6 t80 -61.32 -35.17 76.65 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.383 -0.371 . . . . 25.0 111.428 178.622 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -61.1 -39.61 90.61 Favored 'General case' 0 C--N 1.322 -0.618 0 O-C-N 122.247 -0.283 . . . . 25.0 111.742 178.45 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 66.3 tt0 -63.47 -42.57 98.58 Favored 'General case' 0 N--CA 1.456 -0.135 0 N-CA-C 110.013 -0.365 . . . . 25.0 110.013 179.287 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 33.0 t80 -64.04 -39.86 95.02 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-O 120.682 0.277 . . . . 25.0 111.54 178.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.19 -40.02 95.21 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 121.113 -0.235 . . . . 25.0 111.085 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 72.5 mt-30 -71.34 -34.45 70.54 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.479 0.657 . . . . 25.0 111.052 177.645 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -64.78 -40.9 96.03 Favored 'General case' 0 C--N 1.328 -0.35 0 O-C-N 121.774 -0.579 . . . . 25.0 110.087 178.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 51.0 mt -59.88 -32.75 71.01 Favored 'General case' 0 N--CA 1.47 0.537 0 O-C-N 121.643 -0.661 . . . . 25.0 111.719 -179.376 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -64.58 -40.83 96.25 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-O 121.028 0.442 . . . . 25.0 110.446 177.146 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 81.7 mt-30 -68.76 -37.14 79.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 121.866 -0.522 . . . . 25.0 109.825 179.14 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 88.8 t -67.21 -38.32 80.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 N-CA-C 109.379 -0.6 . . . . 25.0 109.379 179.162 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -60.83 -46.05 92.05 Favored 'General case' 0 N--CA 1.451 -0.405 0 O-C-N 121.982 -0.449 . . . . 25.0 109.903 177.484 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 50.4 mt -66.45 -32.76 74.33 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-O 120.887 0.375 . . . . 25.0 111.645 179.555 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.9 -42.78 99.9 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.203 -0.665 . . . . 25.0 109.203 177.7 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -66.84 -38.86 87.22 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.154 0.502 . . . . 25.0 110.402 179.457 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -63.01 -48.35 79.18 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.337 -0.392 . . . . 25.0 111.996 178.427 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -67.61 -27.99 67.37 Favored 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 120.045 -0.662 . . . . 25.0 111.186 -177.458 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.35 -35.91 82.42 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 110.376 -0.231 . . . . 25.0 110.376 178.828 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -81.48 -26.67 35.02 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 116.204 -0.453 . . . . 25.0 111.918 179.613 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 65.2 mt -84.12 -48.19 10.11 Favored 'General case' 0 CA--C 1.514 -0.424 0 N-CA-C 112.51 0.559 . . . . 25.0 112.51 -174.717 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 86.5 mm-40 49.66 37.91 13.91 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 113.254 0.835 . . . . 25.0 113.254 -177.776 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 55.2 mtpt -91.61 18.85 6.91 Favored 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 114.254 1.205 . . . . 25.0 114.254 -177.231 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 60.6 mm-40 -92.88 82.82 4.69 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.753 -0.832 . . . . 25.0 108.753 176.454 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 16.7 mp0 . . . . . 0 C--O 1.208 -1.091 0 CA-C-O 124.983 2.325 . . . . 25.0 110.252 177.15 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 87.3 mtp . . . . . 0 N--CA 1.499 1.989 0 CA-C-O 123.939 1.828 . . . . 25.0 114.202 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -121.87 39.3 3.91 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 113.965 -1.471 . . . . 25.0 110.143 178.576 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 47.12 64.85 1.41 Allowed 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 115.24 -0.891 . . . . 25.0 112.87 178.519 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 19.1 pttp -48.78 -31.46 7.04 Favored 'General case' 0 C--O 1.215 -0.76 0 N-CA-C 115.797 1.777 . . . . 25.0 115.797 -176.189 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -61.16 -28.56 69.21 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 112.893 0.701 . . . . 25.0 112.893 179.67 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -65.76 -42.78 90.47 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 121.666 0.746 . . . . 25.0 109.693 177.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 30.4 mt -69.18 -40.56 80.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 N-CA-C 108.306 -0.998 . . . . 25.0 108.306 -177.853 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 74.5 mtp -61.92 -42.23 98.86 Favored 'General case' 0 C--O 1.212 -0.88 0 CA-C-N 116.593 -0.276 . . . . 25.0 110.448 178.154 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.31 -39.65 91.27 Favored 'General case' 0 CA--C 1.537 0.473 0 O-C-N 121.81 -0.556 . . . . 25.0 111.073 179.308 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.71 -46.5 78.73 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 110.322 -0.251 . . . . 25.0 110.322 179.217 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 82.1 mt -63.16 -40.96 99.07 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 120.868 0.366 . . . . 25.0 111.081 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 62.0 m-20 -60.91 -34.25 74.39 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.085 -0.507 . . . . 25.0 110.859 -178.572 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 32.3 m -69.07 -30.01 68.25 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 111.854 0.316 . . . . 25.0 111.854 -179.468 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 94.7 mm-40 -75.78 -38.46 58.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.242 0.544 . . . . 25.0 111.194 -178.423 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 68.5 p -98.52 -3.6 36.14 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 114.283 1.216 . . . . 25.0 114.283 -172.853 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -41.01 -68.58 0.17 Allowed 'General case' 0 N--CA 1.468 0.471 0 N-CA-C 115.712 1.745 . . . . 25.0 115.712 -172.253 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 10.0 p -71.24 -29.53 36.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 C-N-CA 120.76 -0.376 . . . . 25.0 111.813 -174.786 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 8.0 tm0? -68.21 -43.13 78.72 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.493 0.663 . . . . 25.0 109.683 -178.788 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 10.9 m-30 -70.67 -29.62 66.01 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.041 -0.527 . . . . 25.0 109.582 177.263 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.49 ' HA ' HD11 ' A' ' 38' ' ' ILE . 47.3 tt0 -65.7 -37.74 87.3 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 122.178 -0.326 . . . . 25.0 111.106 177.158 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 87.4 mt-30 -64.25 -41.21 97.07 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 110.013 -0.365 . . . . 25.0 110.013 177.755 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 72.4 t80 -65.75 -43.95 87.41 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.068 0.461 . . . . 25.0 110.482 176.274 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.93 -38.21 87.58 Favored 'General case' 0 C--N 1.323 -0.584 0 O-C-N 121.989 -0.444 . . . . 25.0 111.283 -178.379 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.2 -23.31 62.93 Favored 'General case' 0 C--O 1.217 -0.61 0 CA-C-N 116.772 -0.194 . . . . 25.0 111.116 179.157 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 39.8 tt0 -76.95 -18.71 58.08 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.047 0.451 . . . . 25.0 110.175 178.193 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -100.2 -47.83 4.82 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.143 0.497 . . . . 25.0 111.459 -179.31 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -121.84 69.73 26.85 Favored Pre-proline 0 C--N 1.325 -0.484 0 CA-C-N 116.089 -0.505 . . . . 25.0 110.999 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -66.05 141.87 65.72 Favored 'Trans proline' 0 C--O 1.22 -0.383 0 C-N-CA 116.005 -2.196 . . . . 25.0 113.261 -176.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 80.87 -28.04 2.9 Favored Glycine 0 CA--C 1.523 0.538 0 N-CA-C 115.173 0.829 . . . . 25.0 115.173 -178.868 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -91.46 86.83 6.19 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 117.841 0.82 . . . . 25.0 110.571 -175.659 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 80.0 t80 -54.8 -45.29 74.33 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.013 -0.539 . . . . 25.0 112.265 -179.43 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -61.27 -46.4 90.49 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 121.838 -0.539 . . . . 25.0 111.847 -178.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.428 ' HA ' HD12 ' A' ' 36' ' ' ILE . 19.7 mm100 -65.77 -38.31 88.69 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 121.924 -0.485 . . . . 25.0 110.734 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -58.54 -38.4 77.71 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.014 -0.736 . . . . 25.0 109.014 177.194 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 93.5 mm-40 -73.74 -36.02 65.1 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 120.948 -0.301 . . . . 25.0 111.173 -176.465 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.428 HD12 ' HA ' ' A' ' 33' ' ' GLN . 81.9 mt -61.18 -47.32 94.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 108.142 -1.059 . . . . 25.0 108.142 176.881 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 31.5 tp -62.32 -46.56 88.16 Favored 'General case' 0 C--O 1.218 -0.582 0 CA-C-N 116.193 -0.458 . . . . 25.0 111.754 -178.72 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.49 HD11 ' HA ' ' A' ' 20' ' ' GLN . 52.1 mt -57.13 -42.17 79.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 122.319 -0.238 . . . . 25.0 110.499 178.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 95.5 mtm-85 -66.24 -35.66 81.01 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.151 -0.62 . . . . 25.0 111.537 178.441 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 55.6 mt-30 -65.07 -40.42 94.67 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 117.906 0.321 . . . . 25.0 110.228 176.506 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 81.9 mt -62.45 -46.66 87.5 Favored 'General case' 0 C--O 1.217 -0.656 0 N-CA-C 108.783 -0.821 . . . . 25.0 108.783 178.442 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -64.49 -34.92 79.33 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 111.976 0.361 . . . . 25.0 111.976 -177.539 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.3 tm-20 -67.06 -48.41 68.33 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.749 -0.463 . . . . 25.0 109.749 176.706 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 37.9 tp60 -63.43 -39.94 95.82 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.085 0.469 . . . . 25.0 111.241 179.738 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 87.2 m-70 -72.69 -16.92 61.67 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 121.955 -0.466 . . . . 25.0 111.583 178.642 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 65.1 t80 -68.38 -37.37 80.34 Favored 'General case' 0 C--N 1.327 -0.396 0 O-C-N 121.381 -0.824 . . . . 25.0 108.87 173.655 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 70.0 mm-40 -64.15 -42.52 96.74 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 108.757 -0.831 . . . . 25.0 108.757 177.291 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 42.5 tt0 -61.83 -41.08 97.35 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.126 -0.488 . . . . 25.0 110.458 177.116 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 35.8 t80 -63.49 -36.69 84.61 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.766 0.317 . . . . 25.0 110.802 179.685 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.11 -39.87 90.26 Favored 'General case' 0 C--N 1.323 -0.583 0 O-C-N 122.023 -0.423 . . . . 25.0 110.552 177.535 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 91.3 mt-30 -66.58 -39.22 88.35 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.769 0.319 . . . . 25.0 110.185 176.658 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 66.1 tt0 -64.58 -41.61 96.15 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 110.395 -0.224 . . . . 25.0 110.395 179.295 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 21.9 mt -62.72 -30.86 71.73 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 122.168 -0.333 . . . . 25.0 111.603 179.481 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -66.21 -38.95 89.18 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.83 0.348 . . . . 25.0 110.358 175.537 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -66.3 -37.94 86.6 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.838 -0.43 . . . . 25.0 109.838 177.459 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 93.0 t -67.56 -41.98 86.34 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 N-CA-C 108.404 -0.962 . . . . 25.0 108.404 179.471 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -58.76 -50.55 73.52 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.932 0.396 . . . . 25.0 111.74 178.28 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.3 pp -70.0 -27.48 64.73 Favored 'General case' 0 C--N 1.321 -0.654 0 O-C-N 122.218 -0.301 . . . . 25.0 111.435 -176.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.17 -43.12 99.53 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 108.321 -0.992 . . . . 25.0 108.321 175.532 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 84.2 mt-30 -65.96 -33.96 77.02 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.148 -0.478 . . . . 25.0 110.187 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -61.54 -50.23 73.5 Favored 'General case' 0 N--CA 1.465 0.295 0 N-CA-C 110.365 -0.235 . . . . 25.0 110.365 177.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -68.39 -32.47 72.56 Favored 'General case' 0 N--CA 1.465 0.31 0 O-C-N 121.66 -0.65 . . . . 25.0 111.034 -178.016 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.24 -34.35 77.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.518 0.199 . . . . 25.0 110.749 178.579 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -80.25 -22.84 41.3 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 111.966 0.358 . . . . 25.0 111.966 178.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 60.0 mt -90.69 -44.64 9.36 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 113.209 0.818 . . . . 25.0 113.209 -175.228 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 89.5 mm-40 52.12 33.23 11.8 Favored 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 113.509 0.929 . . . . 25.0 113.509 -179.143 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -101.28 16.34 25.84 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 112.923 0.712 . . . . 25.0 112.923 -178.051 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -107.87 74.02 0.93 Allowed 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.723 0.773 . . . . 25.0 110.02 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 24.8 mp0 . . . . . 0 N--CA 1.481 1.077 0 CA-C-O 125.915 2.769 . . . . 25.0 112.545 179.563 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.6 ptt? . . . . . 0 N--CA 1.489 1.482 0 CA-C-O 125.263 2.458 . . . . 25.0 112.108 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 50.5 mt-30 -90.92 -6.18 54.47 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 112.691 -2.049 . . . . 25.0 112.492 -176.167 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 52.7 mt-30 -76.31 116.56 17.11 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 121.889 -0.507 . . . . 25.0 110.006 -179.224 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -116.32 -36.66 3.96 Favored 'General case' 0 C--N 1.316 -0.881 0 N-CA-C 114.205 1.187 . . . . 25.0 114.205 179.606 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -60.84 -31.69 71.12 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-N 119.077 0.853 . . . . 25.0 112.122 -179.051 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -55.99 -39.79 72.36 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-O 121.598 0.713 . . . . 25.0 111.258 177.173 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 29.0 mt -77.73 -43.08 29.4 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.779 0 N-CA-C 108.944 -0.761 . . . . 25.0 108.944 -178.218 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 83.7 mtp -61.82 -39.03 90.35 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.894 -0.593 . . . . 25.0 111.974 -177.774 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.17 -41.68 89.01 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-O 121.307 0.575 . . . . 25.0 111.665 179.349 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.31 -40.9 90.25 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.985 -0.552 . . . . 25.0 111.804 -179.311 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 89.0 mt -66.46 -40.67 89.51 Favored 'General case' 0 C--O 1.223 -0.314 0 CA-C-O 120.737 0.304 . . . . 25.0 110.441 177.569 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -59.0 -35.17 72.79 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 115.959 -0.564 . . . . 25.0 110.604 -177.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 36.2 t -62.83 -44.36 96.36 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 111.953 0.353 . . . . 25.0 111.953 -179.752 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 97.1 mm-40 -68.97 -30.69 69.17 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.165 0.507 . . . . 25.0 111.89 -176.151 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 41.4 p -103.81 5.29 35.87 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 113.021 0.748 . . . . 25.0 113.021 -174.681 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.72 -69.55 0.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 114.342 1.238 . . . . 25.0 114.342 -171.378 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.2 p -70.59 -26.51 28.66 Favored 'Isoleucine or valine' 0 C--O 1.237 0.396 0 CA-C-N 116.13 -0.486 . . . . 25.0 110.702 -176.307 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 48.2 tt0 -62.08 -50.63 71.2 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.331 -0.395 . . . . 25.0 110.318 178.651 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 14.8 m-30 -72.97 -28.58 62.48 Favored 'General case' 0 C--O 1.216 -0.692 0 N-CA-C 109.89 -0.411 . . . . 25.0 109.89 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.456 ' HA ' HD11 ' A' ' 38' ' ' ILE . 31.3 tt0 -63.8 -42.48 97.69 Favored 'General case' 0 C--O 1.22 -0.482 0 CA-C-N 117.997 0.362 . . . . 25.0 111.783 178.01 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 60.0 mm-40 -68.08 -41.42 81.92 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.255 -0.646 . . . . 25.0 109.255 178.412 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 77.9 t80 -59.79 -42.78 94.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.172 0.511 . . . . 25.0 111.479 177.691 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.19 -35.58 79.94 Favored 'General case' 0 C--N 1.323 -0.582 0 O-C-N 121.989 -0.444 . . . . 25.0 111.288 -178.148 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.79 -28.39 68.35 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.581 -0.526 . . . . 25.0 109.581 176.575 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 38.4 tt0 -81.38 -5.96 58.42 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 122.487 0.315 . . . . 25.0 110.719 -179.089 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 59.3 mm-40 -109.66 -47.07 3.41 Favored 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 112.615 0.598 . . . . 25.0 112.615 176.201 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -120.8 70.49 18.47 Favored Pre-proline 0 N--CA 1.466 0.342 0 CA-C-O 120.864 0.364 . . . . 25.0 110.047 179.737 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 67.7 Cg_endo -67.91 141.85 55.07 Favored 'Trans proline' 0 CA--C 1.54 0.8 0 C-N-CA 116.097 -2.135 . . . . 25.0 112.433 -179.342 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 84.88 -15.97 39.81 Favored Glycine 0 C--O 1.222 -0.656 0 N-CA-C 115.096 0.798 . . . . 25.0 115.096 -178.51 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 17.7 m120 -110.17 85.61 2.14 Favored 'General case' 0 CA--C 1.511 -0.547 0 CA-C-N 118.429 1.114 . . . . 25.0 112.115 -177.291 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 62.2 t80 -54.96 -45.07 74.89 Favored 'General case' 0 C--O 1.219 -0.521 0 CA-C-N 116.096 -0.502 . . . . 25.0 111.987 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -59.42 -45.67 90.89 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.536 -0.466 . . . . 25.0 111.926 -179.042 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 77.0 mm-40 -69.66 -35.03 74.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 121.422 -0.799 . . . . 25.0 110.775 -179.581 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -58.53 -37.75 76.29 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.559 -0.534 . . . . 25.0 109.559 176.536 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 87.5 mm-40 -72.67 -38.42 67.62 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 120.519 -0.473 . . . . 25.0 110.991 -177.776 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 80.1 mt -61.94 -44.14 98.49 Favored 'Isoleucine or valine' 0 C--O 1.238 0.471 0 N-CA-C 109.38 -0.6 . . . . 25.0 109.38 178.211 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 32.3 tp -62.18 -48.52 79.66 Favored 'General case' 0 C--O 1.219 -0.54 0 CA-C-N 115.839 -0.619 . . . . 25.0 111.167 179.445 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.456 HD11 ' HA ' ' A' ' 20' ' ' GLN . 58.9 mt -58.63 -40.58 79.64 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 N-CA-C 109.523 -0.547 . . . . 25.0 109.523 178.907 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 55.1 ttt85 -57.4 -44.77 84.84 Favored 'General case' 0 N--CA 1.474 0.725 0 O-C-N 122.013 -0.429 . . . . 25.0 110.352 177.765 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -64.95 -40.91 95.74 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 112.239 0.459 . . . . 25.0 112.239 175.264 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 95.9 mt -62.0 -42.97 99.74 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.455 -0.498 . . . . 25.0 110.706 -178.438 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 34.3 mm-40 -66.8 -39.19 87.67 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.487 0.184 . . . . 25.0 111.159 -178.626 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -67.46 -39.54 85.31 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.417 -0.586 . . . . 25.0 109.417 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 69.0 tp60 -67.63 -43.08 81.21 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 112.751 0.648 . . . . 25.0 112.751 178.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 57.5 m80 -67.11 -29.33 69.05 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 120.51 -0.476 . . . . 25.0 110.759 179.631 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 49.0 t80 -62.97 -31.45 72.57 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 112.718 0.636 . . . . 25.0 112.718 174.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 79.4 mm-40 -66.1 -36.27 82.73 Favored 'General case' 0 N--CA 1.468 0.44 0 O-C-N 121.551 -0.718 . . . . 25.0 110.558 -179.692 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 37.4 tt0 -60.92 -39.37 89.15 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.999 0.428 . . . . 25.0 110.167 176.085 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 35.7 t80 -64.77 -41.46 95.86 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.008 0.432 . . . . 25.0 110.057 178.088 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.35 -39.56 92.49 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.822 -0.351 . . . . 25.0 111.363 177.62 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -66.1 -40.47 90.79 Favored 'General case' 0 C--N 1.327 -0.392 0 O-C-N 122.35 -0.219 . . . . 25.0 111.073 178.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 9.1 tp-100 -61.79 -43.4 98.92 Favored 'General case' 0 C--O 1.22 -0.485 0 N-CA-C 109.595 -0.52 . . . . 25.0 109.595 178.437 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 65.9 mt -63.31 -28.13 69.8 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 111.861 0.319 . . . . 25.0 111.861 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -69.22 -37.61 78.12 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 110.007 -0.368 . . . . 25.0 110.007 178.03 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 -69.59 -36.15 75.98 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-O 121.146 0.498 . . . . 25.0 110.018 177.733 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 84.9 t -67.36 -40.5 84.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.648 -0.705 . . . . 25.0 109.321 178.758 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 3.8 mm100 -59.69 -46.07 90.19 Favored 'General case' 0 CA--C 1.516 -0.361 0 CA-C-O 121.188 0.518 . . . . 25.0 111.003 175.12 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 31.6 mt -65.03 -35.98 82.91 Favored 'General case' 0 C--O 1.215 -0.743 0 C-N-CA 120.419 -0.512 . . . . 25.0 111.871 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.65 -39.53 84.7 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-O 121.088 0.47 . . . . 25.0 110.245 179.573 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 92.5 mt-30 -68.37 -37.52 80.5 Favored 'General case' 0 N--CA 1.443 -0.798 0 CA-C-N 116.111 -0.495 . . . . 25.0 109.971 178.849 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 71.9 mt-30 -65.41 -40.42 93.37 Favored 'General case' 0 N--CA 1.471 0.589 0 O-C-N 121.738 -0.601 . . . . 25.0 110.546 175.802 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -60.46 -38.62 84.78 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.429 0.633 . . . . 25.0 111.304 179.078 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -62.11 -32.33 72.88 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.764 -0.653 . . . . 25.0 111.802 -177.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -88.95 -31.2 18.27 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 113.09 0.774 . . . . 25.0 113.09 -179.719 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 63.2 mt -84.98 -43.15 14.25 Favored 'General case' 0 CA--C 1.51 -0.587 0 O-C-N 122.281 -0.262 . . . . 25.0 111.49 -173.676 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 66.7 mt-30 44.3 38.45 2.47 Favored 'General case' 0 CA--C 1.545 0.773 0 O-C-N 124.747 1.279 . . . . 25.0 112.265 -177.087 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 60.0 mmtt -85.76 75.18 10.1 Favored 'General case' 0 C--O 1.219 -0.525 0 CA-C-N 115.411 -0.813 . . . . 25.0 108.926 -178.376 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 16.8 pt20 -115.64 32.23 6.21 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-O 122.128 0.966 . . . . 25.0 111.122 -178.402 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 7.7 mp0 . . . . . 0 N--CA 1.492 1.666 0 C-N-CA 126.153 1.781 . . . . 25.0 113.842 178.541 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.7 mpt? . . . . . 0 N--CA 1.491 1.615 0 CA-C-O 125.443 2.544 . . . . 25.0 111.641 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -69.33 158.93 34.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 112.101 -2.318 . . . . 25.0 108.871 178.226 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 72.1 mt-30 63.1 0.99 0.81 Allowed 'General case' 0 N--CA 1.478 0.963 0 N-CA-C 115.868 1.803 . . . . 25.0 115.868 179.473 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 60.6 tttm -50.98 -44.07 60.7 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 122.979 0.512 . . . . 25.0 111.943 175.671 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.8 tm0? -60.29 -35.05 74.68 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 112.924 0.713 . . . . 25.0 112.924 -177.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -65.61 -40.72 92.95 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.422 0.63 . . . . 25.0 110.898 -178.685 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 8.8 mt -68.68 -40.38 81.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 108.491 -0.929 . . . . 25.0 108.491 -179.014 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 83.9 mtp -63.69 -37.52 87.66 Favored 'General case' 0 C--O 1.22 -0.458 0 CA-C-N 116.315 -0.402 . . . . 25.0 110.948 178.496 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.01 -37.07 83.47 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.703 0.287 . . . . 25.0 110.477 179.411 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.75 -44.56 89.7 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 110.095 -0.335 . . . . 25.0 110.095 177.684 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 90.5 mt -64.34 -38.67 91.86 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-O 120.658 0.266 . . . . 25.0 110.592 178.639 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -64.09 -39.34 93.85 Favored 'General case' 0 C--O 1.22 -0.493 0 N-CA-C 109.421 -0.585 . . . . 25.0 109.421 -179.518 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 33.4 t -63.3 -41.72 98.98 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.141 0.496 . . . . 25.0 110.759 179.444 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 91.3 mm-40 -69.67 -37.68 76.77 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.952 0.723 . . . . 25.0 112.952 -179.499 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 74.4 p -105.94 -1.19 24.36 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 116.415 2.006 . . . . 25.0 116.415 -169.758 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -49.32 -68.1 0.21 Allowed 'General case' 0 CA--C 1.543 0.688 0 N-CA-C 114.086 1.143 . . . . 25.0 114.086 -176.823 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 8.4 p -69.56 -27.99 36.02 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.452 0 O-C-N 121.951 -0.468 . . . . 25.0 110.797 -177.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 48.7 tt0 -63.5 -48.0 79.38 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.477 0.656 . . . . 25.0 110.224 -179.37 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 14.6 m-30 -76.14 -23.77 54.83 Favored 'General case' 0 C--O 1.218 -0.571 0 CA-C-N 115.978 -0.555 . . . . 25.0 110.545 -179.428 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.481 ' HA ' HD11 ' A' ' 38' ' ' ILE . 43.3 tt0 -61.77 -38.4 87.91 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 122.174 -0.329 . . . . 25.0 111.103 177.273 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -64.32 -42.72 96.18 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 121.072 0.463 . . . . 25.0 109.987 179.283 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 75.1 t80 -66.86 -40.61 87.93 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.201 0.524 . . . . 25.0 111.047 178.041 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.432 ' HA ' HD23 ' A' ' 37' ' ' LEU . . . -63.6 -38.51 91.41 Favored 'General case' 0 C--N 1.322 -0.601 0 O-C-N 121.997 -0.439 . . . . 25.0 110.625 -179.087 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.3 -25.92 64.47 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.721 -0.218 . . . . 25.0 110.638 178.724 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 42.9 tt0 -75.4 -23.22 57.01 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.964 0.412 . . . . 25.0 110.643 179.11 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 10.7 mm-40 -96.8 -46.95 6.05 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 116.096 -0.502 . . . . 25.0 112.32 -178.811 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -121.73 70.23 26.62 Favored Pre-proline 0 C--O 1.24 0.555 0 N-CA-C 109.736 -0.468 . . . . 25.0 109.736 -179.434 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_endo -66.9 139.44 51.7 Favored 'Trans proline' 0 C--O 1.221 -0.34 0 C-N-CA 116.363 -1.958 . . . . 25.0 113.133 -175.448 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 80.39 -24.54 3.57 Favored Glycine 0 CA--C 1.522 0.486 0 N-CA-C 114.989 0.756 . . . . 25.0 114.989 -178.676 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 21.4 m120 -90.24 84.62 6.09 Favored 'General case' 0 CA--C 1.512 -0.488 0 CA-C-N 118.02 0.91 . . . . 25.0 109.871 -176.826 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 79.7 t80 -55.17 -45.6 75.75 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.772 -0.194 . . . . 25.0 111.466 -179.156 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -58.58 -45.7 88.48 Favored 'General case' 0 C--N 1.323 -0.576 0 O-C-N 121.995 -0.441 . . . . 25.0 111.857 -179.445 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.482 ' HA ' HD12 ' A' ' 36' ' ' ILE . 97.0 mm-40 -72.56 -34.12 67.28 Favored 'General case' 0 CA--C 1.504 -0.813 0 O-C-N 121.814 -0.554 . . . . 25.0 111.165 -176.873 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 53.9 mt-30 -57.28 -37.51 72.5 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 108.698 -0.852 . . . . 25.0 108.698 175.317 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -75.64 -38.01 59.21 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.7 -0.4 . . . . 25.0 111.372 -177.68 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.482 HD12 ' HA ' ' A' ' 33' ' ' GLN . 65.1 mt -61.85 -40.02 85.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 N-CA-C 108.981 -0.748 . . . . 25.0 108.981 176.773 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.432 HD23 ' HA ' ' A' ' 23' ' ' ALA . 26.9 tp -65.52 -51.22 61.51 Favored 'General case' 0 C--O 1.219 -0.541 0 O-C-N 122.185 -0.322 . . . . 25.0 110.914 178.654 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.481 HD11 ' HA ' ' A' ' 20' ' ' GLN . 61.7 mt -56.88 -39.52 65.52 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 CA-C-O 120.568 0.223 . . . . 25.0 110.613 178.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 79.4 ttt180 -57.0 -41.0 77.68 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 122.006 -0.434 . . . . 25.0 111.241 177.603 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -72.9 -40.56 65.44 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.928 -0.123 . . . . 25.0 111.265 178.533 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 87.6 mt -61.04 -41.0 95.75 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-O 121.088 0.47 . . . . 25.0 110.286 -179.039 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -68.72 -34.39 75.54 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 111.928 0.344 . . . . 25.0 111.928 -178.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -71.1 -41.92 69.97 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.535 -0.542 . . . . 25.0 109.535 176.127 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 16.2 tm0? -60.66 -42.52 97.19 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.769 -0.456 . . . . 25.0 109.769 178.129 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 23.2 t-160 -61.57 -40.16 93.76 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.666 -0.494 . . . . 25.0 109.666 177.45 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 73.3 t80 -64.26 -40.45 96.02 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 121.939 -0.475 . . . . 25.0 112.176 177.211 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 91.4 mm-40 -63.21 -41.34 99.14 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.562 -0.533 . . . . 25.0 109.562 178.537 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 17.6 tm0? -63.52 -42.29 98.47 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.7 -0.481 . . . . 25.0 109.7 177.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 38.3 t80 -60.42 -40.29 90.5 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.041 0.448 . . . . 25.0 111.304 178.003 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.31 -40.35 86.0 Favored 'General case' 0 C--N 1.322 -0.588 0 O-C-N 121.932 -0.48 . . . . 25.0 111.618 179.425 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -65.59 -38.99 91.08 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.696 -0.483 . . . . 25.0 109.696 177.381 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -64.11 -45.46 88.48 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.501 0.191 . . . . 25.0 110.866 179.056 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 37.6 mt -62.51 -31.3 72.04 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.058 0.392 . . . . 25.0 112.058 -178.404 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -63.26 -38.89 92.92 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.018 0.437 . . . . 25.0 110.676 176.197 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 80.8 mt-30 -69.54 -36.0 75.98 Favored 'General case' 0 C--O 1.22 -0.478 0 O-C-N 122.086 -0.384 . . . . 25.0 110.357 178.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 87.9 t -68.48 -41.03 82.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 N-CA-C 108.751 -0.833 . . . . 25.0 108.751 179.422 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 8.4 mm-40 -57.5 -52.61 64.7 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.418 0.627 . . . . 25.0 111.793 177.032 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.2 pp -70.38 -27.34 64.23 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.977 -0.556 . . . . 25.0 112.281 -176.413 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.23 -41.31 88.4 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.325 -0.62 . . . . 25.0 109.325 177.085 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 81.0 mt-30 -66.01 -36.79 84.22 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.295 -0.632 . . . . 25.0 109.295 -179.09 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 12.7 mm-40 -64.83 -47.22 78.8 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.118 -0.492 . . . . 25.0 111.645 -179.522 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -67.08 -30.85 71.0 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 121.72 -0.612 . . . . 25.0 110.84 -177.163 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.71 -32.09 73.44 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-O 120.716 0.293 . . . . 25.0 111.11 177.432 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -83.79 -30.22 26.76 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 112.053 0.39 . . . . 25.0 112.053 179.464 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 75.9 mt -87.21 -42.08 13.24 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.195 0.442 . . . . 25.0 112.195 -174.516 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 50.38 37.13 14.64 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-O 121.932 0.872 . . . . 25.0 111.778 179.492 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 13.0 mptt -121.45 29.19 7.35 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-O 121.727 0.775 . . . . 25.0 110.924 -176.196 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 15.0 pt20 -77.37 61.72 2.24 Favored 'General case' 0 CA--C 1.545 0.752 0 CA-C-O 122.184 0.992 . . . . 25.0 113.044 -178.371 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 . . . . . 0 C--O 1.209 -1.03 0 C-N-CA 125.803 1.641 . . . . 25.0 112.634 178.542 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.473 0.706 0 CA-C-O 124.34 2.019 . . . . 25.0 115.712 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 5.0 pm0 -85.72 128.6 34.84 Favored 'General case' 0 CA--C 1.54 0.576 0 O-C-N 120.678 -1.264 . . . . 25.0 108.676 174.46 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -95.77 100.78 12.45 Favored 'General case' 0 C--N 1.322 -0.6 0 O-C-N 121.508 -0.745 . . . . 25.0 111.714 -177.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 59.4 mtpt -55.11 -32.51 62.09 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 114.139 1.163 . . . . 25.0 114.139 -179.144 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 20.0 pt20 -63.97 -25.06 67.97 Favored 'General case' 0 C--O 1.216 -0.683 0 N-CA-C 113.83 1.048 . . . . 25.0 113.83 -178.505 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 99.4 mt-30 -66.02 -42.62 89.39 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 121.84 0.829 . . . . 25.0 109.203 178.36 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 42.3 mt -65.63 -40.66 88.63 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.814 0 CA-C-N 114.999 -1.0 . . . . 25.0 109.673 -177.84 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 69.7 mtp -65.22 -39.42 92.73 Favored 'General case' 0 C--O 1.223 -0.321 0 CA-C-N 115.962 -0.563 . . . . 25.0 110.278 178.808 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.0 -41.35 97.95 Favored 'General case' 0 CA--C 1.535 0.393 0 O-C-N 122.099 -0.376 . . . . 25.0 110.754 179.613 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.61 -48.04 76.39 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.124 0.488 . . . . 25.0 111.142 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 82.9 mt -64.89 -33.45 76.04 Favored 'General case' 0 C--O 1.221 -0.44 0 CA-C-N 115.698 -0.683 . . . . 25.0 110.831 -178.017 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 43.3 m-20 -65.97 -37.05 85.0 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.561 -0.456 . . . . 25.0 110.767 -178.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 54.6 m -66.02 -36.17 82.53 Favored 'General case' 0 C--O 1.222 -0.346 0 O-C-N 122.055 -0.403 . . . . 25.0 111.393 177.839 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 80.2 mt-30 -72.39 -21.16 61.32 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 112.45 0.537 . . . . 25.0 112.45 -178.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 57.5 p -114.61 0.08 13.82 Favored 'General case' 0 C--N 1.316 -0.873 0 N-CA-C 112.692 0.627 . . . . 25.0 112.692 -172.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -50.16 -66.1 0.45 Allowed 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 113.569 0.952 . . . . 25.0 113.569 -176.356 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.9 p -77.89 -27.47 15.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-O 121.481 0.658 . . . . 25.0 110.654 -179.202 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -61.97 -46.58 88.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 121.699 -0.626 . . . . 25.0 111.353 -176.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 17.4 m-30 -81.58 -19.84 41.11 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.497 -0.557 . . . . 25.0 109.497 -178.655 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.522 ' HA ' HD11 ' A' ' 38' ' ' ILE . 60.0 tt0 -64.79 -41.38 95.87 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 120.417 -0.513 . . . . 25.0 111.204 178.477 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -61.95 -40.45 95.57 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.802 -0.359 . . . . 25.0 110.131 178.716 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 71.7 t80 -67.53 -41.31 84.54 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.083 0.468 . . . . 25.0 111.354 176.543 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.423 ' HA ' HD23 ' A' ' 37' ' ' LEU . . . -61.02 -37.6 83.12 Favored 'General case' 0 N--CA 1.448 -0.569 0 O-C-N 122.178 -0.326 . . . . 25.0 111.154 -179.718 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.57 -24.72 66.39 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 111.967 0.358 . . . . 25.0 111.967 179.627 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.66 -25.05 38.51 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.794 -0.447 . . . . 25.0 109.794 -179.125 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 29.3 mm-40 -91.38 -44.31 9.23 Favored 'General case' 0 C--O 1.217 -0.648 0 N-CA-C 112.055 0.391 . . . . 25.0 112.055 -179.359 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -122.85 69.69 36.92 Favored Pre-proline 0 C--N 1.325 -0.476 0 CA-C-O 121.402 0.62 . . . . 25.0 110.482 -178.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -68.99 138.08 39.38 Favored 'Trans proline' 0 C--O 1.218 -0.504 0 C-N-CA 116.692 -1.739 . . . . 25.0 112.983 -176.038 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 84.55 -13.39 52.23 Favored Glycine 0 C--O 1.22 -0.759 0 N-CA-C 115.101 0.801 . . . . 25.0 115.101 -179.56 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -107.53 87.42 2.5 Favored 'General case' 0 CA--C 1.503 -0.846 0 O-C-N 122.084 -0.656 . . . . 25.0 111.001 -176.307 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 28.7 t80 -56.14 -43.82 78.63 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.278 -0.874 . . . . 25.0 111.102 -179.583 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -60.24 -47.37 86.29 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.5 -0.318 . . . . 25.0 111.809 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -69.51 -34.45 74.3 Favored 'General case' 0 CA--C 1.505 -0.76 0 O-C-N 121.533 -0.729 . . . . 25.0 110.798 -177.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 68.7 mt-30 -60.36 -37.32 80.34 Favored 'General case' 0 C--N 1.315 -0.923 0 N-CA-C 109.916 -0.401 . . . . 25.0 109.916 177.039 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 93.2 mm-40 -71.18 -40.12 71.42 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-O 121.643 0.735 . . . . 25.0 109.657 -178.461 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 86.1 mt -61.87 -42.72 95.71 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 N-CA-C 109.438 -0.578 . . . . 25.0 109.438 178.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.423 HD23 ' HA ' ' A' ' 23' ' ' ALA . 25.4 tp -64.02 -46.84 82.67 Favored 'General case' 0 C--O 1.221 -0.417 0 CA-C-O 120.608 0.242 . . . . 25.0 111.418 -178.426 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.522 HD11 ' HA ' ' A' ' 20' ' ' GLN . 45.7 mt -55.98 -40.19 61.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 N-CA-C 110.139 -0.319 . . . . 25.0 110.139 177.516 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 7.0 tmm_? -62.45 -41.67 98.91 Favored 'General case' 0 N--CA 1.48 1.043 0 O-C-N 121.852 -0.53 . . . . 25.0 111.46 177.165 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -62.37 -43.28 99.2 Favored 'General case' 0 C--O 1.238 0.46 0 CA-C-O 121.444 0.64 . . . . 25.0 110.973 177.848 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 88.8 mt -67.25 -38.88 85.9 Favored 'General case' 0 C--O 1.244 0.813 0 CA-C-N 115.643 -0.708 . . . . 25.0 110.21 -177.546 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -69.74 -34.75 74.27 Favored 'General case' 0 C--N 1.322 -0.593 0 O-C-N 122.344 -0.222 . . . . 25.0 111.165 -179.703 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -67.01 -41.0 87.43 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-O 121.492 0.663 . . . . 25.0 110.512 176.472 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 47.7 tp60 -66.88 -41.07 87.83 Favored 'General case' 0 C--N 1.318 -0.762 0 O-C-N 121.763 -0.586 . . . . 25.0 110.88 178.045 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 41.1 t-80 -64.02 -34.43 77.99 Favored 'General case' 0 N--CA 1.451 -0.42 0 O-C-N 122.14 -0.35 . . . . 25.0 111.489 177.342 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 72.3 t80 -62.17 -37.54 85.64 Favored 'General case' 0 C--O 1.241 0.625 0 C-N-CA 120.261 -0.576 . . . . 25.0 111.093 177.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 -65.34 -42.59 92.73 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.902 -0.407 . . . . 25.0 109.902 178.744 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -62.93 -43.63 98.28 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.284 -0.636 . . . . 25.0 109.284 178.301 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 39.7 t80 -60.36 -41.7 94.24 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.552 -0.295 . . . . 25.0 110.852 179.636 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.9 -39.6 90.74 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.778 -0.369 . . . . 25.0 111.447 178.543 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 31.1 tt0 -63.46 -43.39 97.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.469 . . . . 25.0 110.204 177.407 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 60.0 tp60 -62.87 -43.99 97.31 Favored 'General case' 0 C--O 1.238 0.452 0 O-C-N 121.654 -0.654 . . . . 25.0 110.103 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 53.4 mt -60.64 -33.39 72.71 Favored 'General case' 0 C--O 1.211 -0.942 0 CA-C-N 116.614 -0.266 . . . . 25.0 111.224 178.248 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -67.33 -38.5 84.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 122.111 -0.368 . . . . 25.0 110.079 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 70.3 mt-30 -72.21 -32.97 67.25 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 121.176 0.512 . . . . 25.0 110.939 178.531 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 73.1 t -69.9 -38.82 76.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 108.12 -1.067 . . . . 25.0 108.12 177.76 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 -58.33 -48.4 80.66 Favored 'General case' 0 C--O 1.215 -0.754 0 O-C-N 121.695 -0.628 . . . . 25.0 109.681 176.392 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 45.5 mt -61.78 -38.82 89.47 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.646 0.26 . . . . 25.0 111.24 179.508 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.83 -45.16 90.68 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.667 -0.494 . . . . 25.0 109.667 178.192 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 85.2 mt-30 -67.49 -36.79 81.77 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 116.021 -0.536 . . . . 25.0 111.034 -179.341 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -65.52 -46.12 80.85 Favored 'General case' 0 C--O 1.22 -0.491 0 N-CA-C 109.869 -0.419 . . . . 25.0 109.869 179.786 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -69.32 -25.36 64.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 120.88 -1.137 . . . . 25.0 111.949 179.2 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -72.28 -34.47 68.22 Favored 'General case' 0 C--O 1.213 -0.853 0 N-CA-C 109.358 -0.608 . . . . 25.0 109.358 177.593 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -70.28 -41.3 73.58 Favored 'General case' 0 N--CA 1.443 -0.787 0 CA-C-O 120.929 0.395 . . . . 25.0 110.16 178.164 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 88.7 mt -70.5 -42.96 70.65 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.025 -0.534 . . . . 25.0 111.275 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 41.31 36.01 0.47 Allowed 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 125.224 1.41 . . . . 25.0 114.163 -176.264 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 5.9 tmtt? -124.66 32.85 5.36 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-N 115.863 -0.608 . . . . 25.0 112.299 -177.274 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 58.85 52.12 6.84 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-O 122.766 1.269 . . . . 25.0 110.795 -176.809 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 82.2 mt-30 . . . . . 0 C--O 1.211 -0.947 0 CA-C-N 113.573 -1.649 . . . . 25.0 110.761 -177.958 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 84.8 mtp . . . . . 0 C--O 1.209 -1.033 0 CA-C-O 122.521 1.153 . . . . 25.0 113.245 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 23.5 pt20 -156.26 172.88 17.71 Favored 'General case' 0 C--O 1.219 -0.503 0 N-CA-C 108.085 -1.08 . . . . 25.0 108.085 -177.409 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 53.77 33.96 18.04 Favored 'General case' 0 N--CA 1.474 0.746 0 N-CA-C 113.659 0.985 . . . . 25.0 113.659 179.06 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 55.3 mtpt -61.43 -30.97 70.91 Favored 'General case' 0 N--CA 1.473 0.698 0 O-C-N 121.86 -0.525 . . . . 25.0 112.245 179.495 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 55.0 tp60 -67.2 -30.16 70.02 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 112.62 0.6 . . . . 25.0 112.62 179.434 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -63.94 -36.76 85.01 Favored 'General case' 0 CA--C 1.511 -0.539 0 CA-C-O 121.552 0.692 . . . . 25.0 109.437 178.636 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 36.4 mt -70.48 -43.81 77.65 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.92 0 CA-C-N 115.002 -0.999 . . . . 25.0 108.922 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 94.3 mmm -61.24 -35.52 77.46 Favored 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 112.343 0.497 . . . . 25.0 112.343 177.228 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.72 -41.57 78.84 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.583 -0.525 . . . . 25.0 109.583 177.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.78 -44.14 86.64 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-O 120.978 0.418 . . . . 25.0 110.064 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 94.7 mt -64.72 -30.43 71.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.454 -0.339 . . . . 25.0 111.026 179.501 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -60.05 -43.76 95.15 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 120.729 0.3 . . . . 25.0 110.431 179.118 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 24.8 m -68.7 -36.91 79.07 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 116.428 -0.351 . . . . 25.0 111.427 178.7 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -72.16 -23.99 61.37 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 113.37 0.878 . . . . 25.0 113.37 -177.484 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 72.3 p -113.71 -3.07 13.58 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 113.849 1.055 . . . . 25.0 113.849 -173.162 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -48.35 -71.2 0.07 Allowed 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 114.962 1.467 . . . . 25.0 114.962 -172.546 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.9 p -70.57 -28.59 35.15 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 CA-C-O 121.223 0.535 . . . . 25.0 110.759 -176.797 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -60.47 -48.32 82.29 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.409 0.623 . . . . 25.0 110.761 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 15.8 m-30 -80.31 -24.02 40.25 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.363 -0.38 . . . . 25.0 111.041 -179.255 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.495 ' HA ' HD11 ' A' ' 38' ' ' ILE . 41.4 tt0 -61.24 -39.74 91.44 Favored 'General case' 0 N--CA 1.47 0.57 0 O-C-N 121.76 -0.588 . . . . 25.0 111.321 176.885 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -60.76 -46.13 91.63 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 120.994 0.426 . . . . 25.0 110.281 177.882 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 85.2 t80 -66.35 -36.45 82.93 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 120.975 0.417 . . . . 25.0 111.818 178.417 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.504 ' HA ' HD23 ' A' ' 37' ' ' LEU . . . -64.19 -38.16 90.06 Favored 'General case' 0 C--N 1.32 -0.682 0 O-C-N 122.152 -0.343 . . . . 25.0 110.181 -178.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.39 -29.08 65.63 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 110.118 -0.327 . . . . 25.0 110.118 177.248 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 32.7 tt0 -70.58 -16.15 62.83 Favored 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 112.393 0.516 . . . . 25.0 112.393 176.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 67.7 mm-40 -106.34 -50.37 3.16 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 112.402 0.519 . . . . 25.0 112.402 178.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 16.6 m-85 -121.66 69.98 25.52 Favored Pre-proline 0 C--O 1.241 0.619 0 C-N-CA 122.364 0.266 . . . . 25.0 110.638 -176.871 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -68.25 141.75 53.02 Favored 'Trans proline' 0 C--N 1.351 0.691 0 C-N-CA 115.702 -2.399 . . . . 25.0 112.66 -177.497 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 85.84 -22.12 12.74 Favored Glycine 0 C--N 1.332 0.323 0 C-N-CA 121.259 -0.496 . . . . 25.0 114.067 -179.014 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 10.6 m120 -100.54 86.04 3.06 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 118.713 1.256 . . . . 25.0 111.675 -175.336 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 79.2 t80 -54.83 -47.13 74.49 Favored 'General case' 0 N--CA 1.469 0.521 0 N-CA-C 112.009 0.374 . . . . 25.0 112.009 -178.479 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -59.47 -46.08 89.82 Favored 'General case' 0 CA--C 1.543 0.708 0 O-C-N 122.156 -0.34 . . . . 25.0 111.754 -179.197 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.402 ' HA ' HD12 ' A' ' 36' ' ' ILE . 87.7 mt-30 -69.94 -33.29 71.94 Favored 'General case' 0 CA--C 1.512 -0.493 0 O-C-N 121.797 -0.564 . . . . 25.0 110.846 -177.788 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 69.3 mt-30 -60.25 -37.47 80.49 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.208 -0.664 . . . . 25.0 109.208 175.02 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 95.6 mm-40 -71.83 -39.24 69.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 122.108 -0.37 . . . . 25.0 110.369 -178.644 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.402 HD12 ' HA ' ' A' ' 33' ' ' GLN . 80.7 mt -63.27 -42.57 96.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 N-CA-C 109.096 -0.705 . . . . 25.0 109.096 178.546 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.504 HD23 ' HA ' ' A' ' 23' ' ' ALA . 36.4 tp -64.05 -48.16 77.34 Favored 'General case' 0 C--O 1.215 -0.76 0 CA-C-N 115.736 -0.665 . . . . 25.0 110.901 179.458 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.495 HD11 ' HA ' ' A' ' 20' ' ' GLN . 57.4 mt -56.68 -37.4 52.59 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 O-C-N 122.202 -0.311 . . . . 25.0 110.845 177.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.07 -47.35 86.25 Favored 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 108.285 -1.006 . . . . 25.0 108.285 177.532 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 48.6 tt0 -63.3 -40.52 97.57 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 116.486 -0.325 . . . . 25.0 111.013 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 80.0 mt -63.62 -37.06 85.88 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 122.113 -0.367 . . . . 25.0 110.706 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -69.78 -36.21 75.54 Favored 'General case' 0 C--N 1.319 -0.729 0 O-C-N 122.411 -0.181 . . . . 25.0 110.881 178.228 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 63.8 mt-10 -68.9 -35.63 77.08 Favored 'General case' 0 C--N 1.321 -0.66 0 O-C-N 122.102 -0.373 . . . . 25.0 110.107 177.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 18.0 tm0? -68.45 -44.57 74.6 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.66 -0.496 . . . . 25.0 109.66 174.82 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 59.7 t60 -59.43 -31.33 69.19 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.194 -0.457 . . . . 25.0 111.794 -179.54 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 32.8 t80 -57.85 -35.07 70.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.473 -0.331 . . . . 25.0 111.614 177.818 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 83.3 mt-30 -65.66 -44.15 87.2 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.244 -0.65 . . . . 25.0 109.244 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 28.6 tt0 -65.92 -41.55 91.24 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.996 0.427 . . . . 25.0 110.495 179.04 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 26.9 t80 -62.53 -40.37 96.58 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.45 -0.341 . . . . 25.0 111.006 178.454 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.29 -38.67 85.42 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.905 0.384 . . . . 25.0 111.872 178.224 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 22.7 tm0? -64.68 -40.74 95.91 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.79 -0.448 . . . . 25.0 109.79 177.501 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 65.9 tp60 -64.57 -41.26 96.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 122.132 -0.355 . . . . 25.0 110.053 177.707 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 34.9 mt -65.9 -25.96 67.4 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 112.117 0.414 . . . . 25.0 112.117 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -66.14 -35.79 81.41 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-O 121.256 0.55 . . . . 25.0 109.756 175.299 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 63.6 mt-30 -71.16 -34.62 71.14 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.158 0.504 . . . . 25.0 110.102 176.658 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 92.9 t -69.73 -38.47 76.22 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 N-CA-C 108.679 -0.86 . . . . 25.0 108.679 178.655 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -58.26 -52.49 65.37 Favored 'General case' 0 CA--C 1.505 -0.754 0 CA-C-N 116.199 -0.455 . . . . 25.0 110.462 177.619 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.4 pp -72.22 -27.31 62.45 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.073 0.397 . . . . 25.0 112.073 -176.736 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.1 -42.06 93.89 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.799 -0.445 . . . . 25.0 109.799 176.415 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -65.96 -33.46 75.87 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.477 -0.489 . . . . 25.0 110.205 -178.314 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 82.8 mm-40 -66.01 -50.51 64.0 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 120.618 -0.433 . . . . 25.0 110.421 178.438 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -68.63 -28.71 67.14 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 120.104 -0.638 . . . . 25.0 110.941 -176.453 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -62.77 -34.24 76.82 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-O 120.49 0.186 . . . . 25.0 111.36 176.452 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -84.85 -24.34 28.64 Favored 'General case' 0 N--CA 1.466 0.356 0 N-CA-C 112.229 0.455 . . . . 25.0 112.229 179.517 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 63.0 mt -86.65 -39.34 16.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.831 -0.168 . . . . 25.0 111.418 -176.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 95.0 mm-40 51.94 31.96 9.29 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-O 121.86 0.838 . . . . 25.0 112.179 -177.298 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 19.0 mmtt -94.54 5.17 52.61 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 113.526 0.936 . . . . 25.0 113.526 -174.518 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 81.2 mt-30 -121.15 67.41 0.87 Allowed 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.606 0.717 . . . . 25.0 110.974 -175.082 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 42.4 tt0 . . . . . 0 C--O 1.217 -0.655 0 CA-C-O 123.965 1.841 . . . . 25.0 110.688 179.375 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.4 ttm . . . . . 0 N--CA 1.497 1.905 0 CA-C-O 126.213 2.911 . . . . 25.0 113.095 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -106.54 88.44 2.77 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 112.909 -1.95 . . . . 25.0 111.243 -177.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 23.1 mp0 -117.79 99.2 6.78 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-O 120.817 0.341 . . . . 25.0 111.355 -178.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 19.5 ptpt -56.4 -29.47 61.57 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 114.287 1.217 . . . . 25.0 114.287 179.26 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 82.1 mt-30 -65.68 -27.39 68.32 Favored 'General case' 0 C--O 1.216 -0.71 0 N-CA-C 113.237 0.829 . . . . 25.0 113.237 -178.78 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 91.8 mt-30 -70.37 -38.59 74.77 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 120.832 -0.347 . . . . 25.0 110.222 177.453 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 42.4 mt -68.02 -42.37 85.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 N-CA-C 107.725 -1.213 . . . . 25.0 107.725 178.612 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 81.8 mmm -60.13 -42.1 94.1 Favored 'General case' 0 C--O 1.209 -1.078 0 CA-C-N 116.519 -0.309 . . . . 25.0 110.258 177.768 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.28 -39.64 91.17 Favored 'General case' 0 C--O 1.243 0.743 0 CA-C-N 118.909 0.777 . . . . 25.0 111.208 179.411 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.7 -44.91 80.41 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.067 0.461 . . . . 25.0 110.409 178.166 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 86.4 mt -64.48 -40.06 94.98 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 121.335 0.588 . . . . 25.0 110.041 179.324 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 62.6 m-20 -60.79 -38.55 85.7 Favored 'General case' 0 C--O 1.216 -0.705 0 O-C-N 121.68 -0.638 . . . . 25.0 110.413 -179.36 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 57.0 m -69.76 -41.23 75.47 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.571 -0.451 . . . . 25.0 111.699 -177.078 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -77.75 -20.46 53.4 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 113.106 0.78 . . . . 25.0 113.106 -176.786 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 70.8 p -105.05 2.29 29.35 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.579 0.228 . . . . 25.0 111.586 -179.688 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -47.85 -67.19 0.3 Allowed 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 114.821 1.415 . . . . 25.0 114.821 -172.829 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 8.4 p -71.56 -26.93 27.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 C-N-CA 120.367 -0.533 . . . . 25.0 111.037 -174.259 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 64.1 tt0 -62.25 -48.77 78.47 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.792 -0.447 . . . . 25.0 109.792 177.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 18.3 m-30 -75.65 -31.55 59.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.7 -0.227 . . . . 25.0 110.561 -179.708 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 17.0 tm0? -62.62 -48.83 77.68 Favored 'General case' 0 C--N 1.328 -0.36 0 O-C-N 122.151 -0.343 . . . . 25.0 111.611 -179.476 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -64.25 -39.64 94.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 122.101 -0.374 . . . . 25.0 110.672 -178.078 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 91.5 t80 -64.94 -43.65 92.06 Favored 'General case' 0 C--O 1.223 -0.304 0 CA-C-N 116.286 -0.416 . . . . 25.0 111.204 177.52 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.08 -38.21 90.25 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 120.117 -0.633 . . . . 25.0 110.643 -179.566 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.95 -26.68 67.69 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 110.213 -0.291 . . . . 25.0 110.213 179.081 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -78.28 -27.55 47.43 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.051 0.453 . . . . 25.0 111.945 178.343 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 96.4 mm-40 -90.17 -45.37 9.15 Favored 'General case' 0 C--O 1.214 -0.788 0 CA-C-N 115.907 -0.588 . . . . 25.0 110.527 -175.605 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 26.3 m-85 -121.7 69.26 24.57 Favored Pre-proline 0 N--CA 1.473 0.676 0 CA-C-N 116.12 -0.491 . . . . 25.0 110.021 179.621 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -68.15 138.86 44.69 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 117.236 -1.376 . . . . 25.0 112.725 -176.292 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 82.17 -15.68 26.76 Favored Glycine 0 CA--C 1.522 0.513 0 N-CA-C 115.292 0.877 . . . . 25.0 115.292 -178.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -105.46 86.62 2.44 Favored 'General case' 0 N--CA 1.475 0.824 0 CA-C-N 117.881 0.84 . . . . 25.0 112.545 -175.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 70.4 t80 -53.64 -46.67 70.62 Favored 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 113.111 0.782 . . . . 25.0 113.111 -178.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -59.52 -45.26 92.26 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 112.756 0.65 . . . . 25.0 112.756 -179.322 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 97.8 mm-40 -70.01 -35.96 74.76 Favored 'General case' 0 C--N 1.319 -0.748 0 O-C-N 121.967 -0.458 . . . . 25.0 111.106 -178.379 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 -58.77 -37.8 77.09 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.364 -0.606 . . . . 25.0 109.364 174.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 57.2 mm-40 -74.01 -35.92 64.44 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 121.182 -0.207 . . . . 25.0 110.799 -176.05 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 77.4 mt -63.0 -43.7 99.24 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 N-CA-C 109.735 -0.469 . . . . 25.0 109.735 176.028 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 24.7 tp -63.73 -49.55 72.63 Favored 'General case' 0 C--O 1.214 -0.77 0 CA-C-N 116.359 -0.382 . . . . 25.0 110.179 179.115 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 64.4 mt -56.63 -39.68 64.46 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 O-C-N 122.344 -0.222 . . . . 25.0 110.833 179.506 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 6.9 tmm_? -60.13 -43.26 95.82 Favored 'General case' 0 N--CA 1.466 0.371 0 O-C-N 121.551 -0.718 . . . . 25.0 110.231 176.825 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -66.44 -39.27 88.79 Favored 'General case' 0 N--CA 1.467 0.394 0 O-C-N 121.967 -0.458 . . . . 25.0 111.929 178.502 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 86.9 mt -62.47 -39.74 94.38 Favored 'General case' 0 C--O 1.214 -0.786 0 CA-C-N 117.615 0.189 . . . . 25.0 110.592 177.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -66.88 -36.13 81.61 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 122.096 0.158 . . . . 25.0 110.818 179.005 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.1 tm-20 -68.14 -44.92 74.96 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.701 -0.481 . . . . 25.0 109.701 178.123 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -63.87 -40.33 96.31 Favored 'General case' 0 C--O 1.242 0.67 0 CA-C-O 121.005 0.431 . . . . 25.0 110.668 178.353 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 81.8 t60 -64.79 -38.04 89.63 Favored 'General case' 0 CA--C 1.516 -0.354 0 CA-C-N 116.025 -0.534 . . . . 25.0 110.216 178.617 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 45.8 t80 -60.84 -40.7 93.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 121.974 -0.454 . . . . 25.0 110.757 178.544 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -63.57 -46.22 86.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.996 0.427 . . . . 25.0 109.979 178.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -62.85 -40.37 97.26 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-O 120.682 0.277 . . . . 25.0 110.893 179.216 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 61.3 t80 -63.96 -44.32 93.11 Favored 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 122.823 0.449 . . . . 25.0 111.297 178.051 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.3 -38.47 87.8 Favored 'General case' 0 C--O 1.215 -0.736 0 C-N-CA 121.101 -0.24 . . . . 25.0 110.873 179.186 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -63.94 -43.22 96.53 Favored 'General case' 0 C--O 1.215 -0.731 0 N-CA-C 109.875 -0.417 . . . . 25.0 109.875 177.004 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 23.1 tt0 -62.1 -43.23 99.28 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 121.624 -0.672 . . . . 25.0 109.648 179.618 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 68.3 mt -63.7 -30.03 71.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 122.128 -0.357 . . . . 25.0 111.859 178.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -67.42 -33.63 75.57 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-O 121.167 0.508 . . . . 25.0 111.314 176.099 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -74.53 -31.64 62.21 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 121.573 -0.705 . . . . 25.0 110.313 175.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 78.2 t -67.63 -40.9 84.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 N-CA-C 108.563 -0.903 . . . . 25.0 108.563 175.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 3.9 mm-40 -57.19 -48.57 78.43 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.17 0.51 . . . . 25.0 109.664 177.514 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 77.0 mt -65.12 -33.78 76.83 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 116.089 -0.505 . . . . 25.0 111.878 178.435 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.6 -42.33 98.71 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.846 -0.428 . . . . 25.0 109.846 179.126 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -63.38 -33.8 76.33 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 120.249 -0.58 . . . . 25.0 110.031 -178.798 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -69.29 -47.51 64.36 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.964 0.411 . . . . 25.0 111.333 177.818 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 71.2 mt-30 -64.55 -35.54 81.3 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 112.401 0.519 . . . . 25.0 112.401 -179.341 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.94 -32.64 72.15 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.254 -0.884 . . . . 25.0 111.85 177.718 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -86.37 -27.01 24.51 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 112.299 0.481 . . . . 25.0 112.299 178.822 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 82.7 mt -83.64 -39.77 19.83 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.618 0.247 . . . . 25.0 110.644 -176.448 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 50.64 30.68 5.07 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 124.005 0.922 . . . . 25.0 113.049 179.196 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 28.5 ttmt -143.66 21.43 1.83 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.157 -0.929 . . . . 25.0 108.647 -178.462 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 91.3 mm-40 -134.84 63.7 1.61 Allowed 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 106.641 -1.614 . . . . 25.0 106.641 -178.395 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 20.5 pt20 . . . . . 0 C--O 1.214 -0.772 0 CA-C-O 123.673 1.701 . . . . 25.0 112.009 -175.54 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.6 mpp? . . . . . 0 N--CA 1.495 1.792 0 CA-C-O 124.813 2.244 . . . . 25.0 111.886 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -99.99 146.37 26.79 Favored 'General case' 0 C--O 1.216 -0.682 0 CA-C-N 113.152 -1.84 . . . . 25.0 111.94 177.637 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 18.2 pt20 -128.1 37.69 4.12 Favored 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 109.548 -0.538 . . . . 25.0 109.548 176.523 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 32.9 mmtp -57.25 -41.25 79.24 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 112.051 0.389 . . . . 25.0 112.051 -175.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -70.73 -26.67 63.49 Favored 'General case' 0 C--N 1.308 -1.223 0 N-CA-C 113.45 0.907 . . . . 25.0 113.45 -176.742 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -65.47 -36.76 84.83 Favored 'General case' 0 C--N 1.314 -0.961 0 N-CA-C 108.606 -0.887 . . . . 25.0 108.606 177.66 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 51.2 mt -68.86 -39.74 80.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 108.777 -0.823 . . . . 25.0 108.777 -177.832 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 74.1 mtp -61.64 -42.43 98.89 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 116.262 -0.426 . . . . 25.0 110.071 178.357 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.12 -40.07 92.4 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-O 120.895 0.378 . . . . 25.0 111.761 -178.613 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.89 -43.45 92.86 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.483 -0.326 . . . . 25.0 111.186 -178.656 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 94.4 mt -62.85 -45.14 93.97 Favored 'General case' 0 N--CA 1.48 1.069 0 O-C-N 123.422 0.451 . . . . 25.0 110.133 176.112 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 82.9 m-20 -64.44 -31.56 72.82 Favored 'General case' 0 C--O 1.212 -0.893 0 CA-C-N 115.984 -0.553 . . . . 25.0 112.179 -175.156 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 42.5 m -65.7 -36.48 83.75 Favored 'General case' 0 C--O 1.209 -1.043 0 O-C-N 122.212 -0.305 . . . . 25.0 111.247 177.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 96.6 mm-40 -73.39 -43.0 61.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.336 0.589 . . . . 25.0 110.403 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 82.2 p -93.34 11.62 27.62 Favored 'General case' 0 C--O 1.251 1.172 0 N-CA-C 113.525 0.935 . . . . 25.0 113.525 -172.29 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.99 -66.63 0.36 Allowed 'General case' 0 CA--C 1.545 0.751 0 N-CA-C 114.505 1.298 . . . . 25.0 114.505 -175.589 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.5 p -73.04 -26.14 22.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-O 121.308 0.575 . . . . 25.0 110.246 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -58.98 -50.62 73.41 Favored 'General case' 0 C--O 1.254 1.323 0 N-CA-C 109.249 -0.648 . . . . 25.0 109.249 -179.121 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 13.9 m-30 -73.48 -32.44 64.3 Favored 'General case' 0 C--N 1.315 -0.919 0 C-N-CA 120.583 -0.447 . . . . 25.0 110.293 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 66.3 tt0 -59.73 -43.95 93.97 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 113.327 0.862 . . . . 25.0 113.327 -178.346 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -66.06 -41.69 90.44 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-N 116.423 -0.353 . . . . 25.0 110.447 179.636 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 88.4 t80 -64.9 -43.05 94.13 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-O 121.228 0.537 . . . . 25.0 111.764 177.747 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.56 -37.64 86.95 Favored 'General case' 0 C--N 1.327 -0.384 0 O-C-N 121.943 -0.473 . . . . 25.0 110.714 179.172 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.87 -23.66 63.3 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-O 121.839 0.828 . . . . 25.0 110.244 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.24 -14.17 58.63 Favored 'General case' 0 C--O 1.21 -1.01 0 O-C-N 121.571 -0.706 . . . . 25.0 111.607 178.208 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 96.6 mm-40 -103.96 -47.11 4.28 Favored 'General case' 0 C--O 1.215 -0.723 0 CA-C-N 115.906 -0.588 . . . . 25.0 110.778 -179.668 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -120.34 70.21 16.07 Favored Pre-proline 0 C--O 1.245 0.862 0 CA-C-O 120.56 0.219 . . . . 25.0 111.356 179.029 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_endo -67.24 145.84 73.73 Favored 'Trans proline' 0 N--CA 1.454 -0.841 0 C-N-CA 116.323 -1.985 . . . . 25.0 113.201 -176.268 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 82.34 -26.83 3.81 Favored Glycine 0 N--CA 1.469 0.864 0 CA-C-N 115.677 -0.692 . . . . 25.0 114.508 179.458 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -99.83 87.55 3.55 Favored 'General case' 0 C--N 1.311 -1.071 0 CA-C-O 121.829 0.823 . . . . 25.0 111.929 -174.342 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 27.3 t80 -53.72 -43.0 68.68 Favored 'General case' 0 C--N 1.313 -1.018 0 CA-C-N 114.91 -1.041 . . . . 25.0 113.316 177.422 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -62.43 -42.84 99.75 Favored 'General case' 0 C--O 1.217 -0.638 0 O-C-N 121.086 -1.009 . . . . 25.0 113.233 179.046 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 96.0 mm-40 -68.24 -38.34 81.71 Favored 'General case' 0 CA--C 1.509 -0.604 0 CA-C-O 122.728 1.251 . . . . 25.0 110.905 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -57.68 -38.91 75.95 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 114.481 -1.236 . . . . 25.0 109.767 177.569 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 94.0 mm-40 -70.67 -37.83 73.71 Favored 'General case' 0 N--CA 1.477 0.905 0 CA-C-O 121.455 0.645 . . . . 25.0 112.073 -178.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 68.7 mt -64.42 -39.81 86.86 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.876 0 N-CA-C 109.024 -0.732 . . . . 25.0 109.024 179.507 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 26.1 tp -65.71 -45.59 82.2 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.246 0.546 . . . . 25.0 112.041 179.568 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 62.3 mt -59.57 -41.99 86.7 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.896 0 CA-C-N 116.155 -0.475 . . . . 25.0 110.769 178.437 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 65.4 ttt-85 -55.44 -38.75 69.42 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-O 120.735 0.302 . . . . 25.0 110.515 177.621 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 36.9 tt0 -72.26 -42.58 65.43 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.244 0.545 . . . . 25.0 110.228 179.661 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 88.8 mt -64.54 -37.28 87.0 Favored 'General case' 0 N--CA 1.477 0.887 0 O-C-N 121.48 -0.762 . . . . 25.0 111.166 -177.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -63.84 -40.39 96.49 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-O 121.007 0.432 . . . . 25.0 110.625 179.803 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -66.22 -39.58 89.68 Favored 'General case' 0 C--O 1.224 -0.261 0 C-N-CA 120.074 -0.65 . . . . 25.0 110.858 177.771 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -61.54 -40.77 95.88 Favored 'General case' 0 N--CA 1.481 1.092 0 N-CA-C 109.863 -0.421 . . . . 25.0 109.863 179.039 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -66.73 -38.32 86.43 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 116.234 -0.439 . . . . 25.0 109.876 178.792 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 54.3 t80 -66.61 -39.57 88.43 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.372 0.605 . . . . 25.0 110.728 179.357 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -62.85 -43.36 99.0 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-N 116.254 -0.43 . . . . 25.0 109.843 179.566 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 26.4 tt0 -60.63 -43.02 98.02 Favored 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 108.523 -0.917 . . . . 25.0 108.523 177.8 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 37.1 t80 -62.21 -46.73 87.59 Favored 'General case' 0 C--O 1.213 -0.849 0 CA-C-O 121.145 0.498 . . . . 25.0 110.242 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.33 -37.45 83.31 Favored 'General case' 0 CA--C 1.538 0.512 0 O-C-N 121.873 -0.517 . . . . 25.0 112.014 -178.598 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 48.2 tt0 -64.87 -37.43 87.61 Favored 'General case' 0 C--N 1.342 0.264 0 O-C-N 121.36 -0.838 . . . . 25.0 111.022 178.444 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 38.4 tt0 -69.74 -42.88 73.34 Favored 'General case' 0 C--O 1.241 0.631 0 N-CA-C 109.052 -0.722 . . . . 25.0 109.052 177.52 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 61.4 mt -62.8 -31.62 72.64 Favored 'General case' 0 C--O 1.202 -1.442 0 N-CA-C 112.376 0.51 . . . . 25.0 112.376 -179.515 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -61.91 -41.67 98.19 Favored 'General case' 0 C--O 1.242 0.704 0 N-CA-C 109.965 -0.383 . . . . 25.0 109.965 176.348 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 71.0 mt-30 -71.57 -37.69 71.01 Favored 'General case' 0 C--N 1.321 -0.67 0 O-C-N 121.844 -0.535 . . . . 25.0 110.42 178.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 81.2 t -63.46 -37.84 80.62 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 CA-C-O 121.647 0.737 . . . . 25.0 110.083 178.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -59.4 -46.85 87.54 Favored 'General case' 0 C--O 1.212 -0.893 0 O-C-N 121.264 -0.898 . . . . 25.0 111.513 175.721 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 96.0 mt -67.26 -31.03 71.09 Favored 'General case' 0 C--O 1.247 0.96 0 O-C-N 121.422 -0.799 . . . . 25.0 111.38 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.03 -43.46 95.5 Favored 'General case' 0 C--N 1.308 -1.216 0 N-CA-C 108.972 -0.751 . . . . 25.0 108.972 176.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 2.4 mm100 -64.99 -37.23 86.97 Favored 'General case' 0 C--O 1.22 -0.467 0 CA-C-N 115.816 -0.629 . . . . 25.0 109.562 178.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -64.45 -46.38 83.4 Favored 'General case' 0 C--O 1.212 -0.92 0 O-C-N 121.659 -0.651 . . . . 25.0 112.448 176.537 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -70.25 -27.34 64.37 Favored 'General case' 0 C--O 1.207 -1.154 0 C-N-CA 119.667 -0.813 . . . . 25.0 110.661 -177.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -66.78 -34.34 77.62 Favored 'General case' 0 CA--C 1.554 1.112 0 CA-C-O 122.091 0.948 . . . . 25.0 110.533 176.497 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -82.74 -31.1 28.59 Favored 'General case' 0 C--O 1.219 -0.524 0 O-C-N 121.646 -0.659 . . . . 25.0 112.517 177.859 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 66.7 mt -78.65 -32.82 47.46 Favored 'General case' 0 N--CA 1.468 0.469 0 N-CA-C 109.472 -0.566 . . . . 25.0 109.472 179.581 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 32.93 49.98 0.2 Allowed 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 116.368 1.988 . . . . 25.0 116.368 177.199 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 13.5 mmmm -76.8 43.65 0.35 Allowed 'General case' 0 N--CA 1.483 1.203 0 N-CA-C 115.981 1.845 . . . . 25.0 115.981 -177.064 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 47.19 65.15 1.32 Allowed 'General case' 0 N--CA 1.485 1.279 0 CA-C-O 122.73 1.253 . . . . 25.0 113.865 175.31 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 3.3 pm0 . . . . . 0 N--CA 1.484 1.249 0 CA-C-O 124.436 2.065 . . . . 25.0 112.331 175.364 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 55.7 ttm . . . . . 0 N--CA 1.479 0.995 0 CA-C-O 123.591 1.662 . . . . 25.0 114.477 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 26.7 mp0 -87.43 91.57 8.78 Favored 'General case' 0 C--O 1.22 -0.479 0 O-C-N 120.582 -1.324 . . . . 25.0 110.175 178.083 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -112.44 35.04 3.98 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.84 0.828 . . . . 25.0 110.299 178.748 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -55.77 -44.38 77.63 Favored 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 113.631 0.974 . . . . 25.0 113.631 -177.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 57.1 mt-30 -72.71 -23.46 60.86 Favored 'General case' 0 C--O 1.214 -0.786 0 O-C-N 121.745 -0.597 . . . . 25.0 112.519 -176.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -66.43 -36.83 83.79 Favored 'General case' 0 C--O 1.217 -0.656 0 CA-C-N 118.825 0.739 . . . . 25.0 109.31 176.243 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 37.4 mt -66.24 -43.04 91.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 N-CA-C 108.256 -1.016 . . . . 25.0 108.256 179.4 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 62.5 mtp -67.76 -29.16 68.3 Favored 'General case' 0 C--O 1.216 -0.662 0 O-C-N 121.402 -0.812 . . . . 25.0 111.835 179.598 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.43 -38.86 78.05 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.35 -0.611 . . . . 25.0 109.35 177.253 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.57 -43.3 90.2 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.017 -0.538 . . . . 25.0 110.611 178.147 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 92.0 mt -64.77 -33.45 76.01 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-O 121.252 0.549 . . . . 25.0 110.53 177.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -62.76 -40.55 97.61 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.364 -0.38 . . . . 25.0 110.392 179.291 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 38.9 t -66.27 -41.38 89.97 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 110.054 -0.35 . . . . 25.0 110.054 179.515 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -67.51 -27.55 67.09 Favored 'General case' 0 N--CA 1.468 0.432 0 N-CA-C 113.968 1.099 . . . . 25.0 113.968 -178.883 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 72.1 p -116.47 8.21 13.98 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 113.835 1.05 . . . . 25.0 113.835 -172.58 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -47.83 -72.7 0.05 OUTLIER 'General case' 0 CA--C 1.546 0.8 0 N-CA-C 113.936 1.087 . . . . 25.0 113.936 -173.352 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 8.3 p -74.37 -25.08 19.25 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.356 0 O-C-N 121.834 -0.541 . . . . 25.0 110.458 -178.696 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 43.6 tt0 -59.37 -45.3 91.82 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.278 0.561 . . . . 25.0 110.987 -178.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 14.4 m-30 -86.62 -23.32 25.76 Favored 'General case' 0 C--O 1.214 -0.772 0 CA-C-N 116.055 -0.52 . . . . 25.0 111.114 178.72 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.457 ' HA ' HD11 ' A' ' 38' ' ' ILE . 41.8 tp60 -61.32 -42.79 99.26 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 118.461 0.573 . . . . 25.0 110.218 176.626 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 25.7 mm100 -63.0 -41.68 99.65 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 120.644 -0.422 . . . . 25.0 110.806 178.474 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 55.9 t80 -64.71 -41.2 96.17 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-O 121.634 0.73 . . . . 25.0 110.878 177.48 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.439 ' HA ' HD23 ' A' ' 37' ' ' LEU . . . -65.58 -35.59 81.29 Favored 'General case' 0 C--N 1.317 -0.817 0 O-C-N 121.556 -0.715 . . . . 25.0 111.355 179.769 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.85 -24.18 65.23 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-O 121.196 0.522 . . . . 25.0 110.77 177.459 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 40.4 tt0 -72.54 -16.26 61.77 Favored 'General case' 0 C--O 1.214 -0.767 0 CA-C-O 121.535 0.683 . . . . 25.0 112.115 178.368 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 56.1 mm-40 -108.69 -43.58 4.23 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.551 0.574 . . . . 25.0 112.551 -179.318 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 30.4 m-85 -122.85 68.16 33.11 Favored Pre-proline 0 C--O 1.251 1.149 0 CA-C-N 116.417 -0.356 . . . . 25.0 110.903 -179.426 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -66.64 136.24 41.71 Favored 'Trans proline' 0 C--O 1.217 -0.56 0 C-N-CA 116.386 -1.943 . . . . 25.0 112.804 -176.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 82.29 -15.32 29.37 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 115.128 0.811 . . . . 25.0 115.128 -179.024 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 10.1 m120 -102.97 85.66 2.57 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 118.098 0.949 . . . . 25.0 111.071 -177.226 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 41.1 t80 -56.95 -44.06 82.17 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.217 0.451 . . . . 25.0 112.217 -177.669 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -60.89 -45.04 96.17 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 122.043 -0.41 . . . . 25.0 111.363 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.494 ' HA ' HD12 ' A' ' 36' ' ' ILE . 9.8 mm100 -68.0 -37.73 81.79 Favored 'General case' 0 C--O 1.245 0.831 0 O-C-N 121.683 -0.636 . . . . 25.0 109.61 -179.205 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 -58.05 -37.56 74.64 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.916 -0.584 . . . . 25.0 109.869 176.019 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 92.9 mm-40 -72.62 -36.62 68.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 121.65 -0.656 . . . . 25.0 111.554 -178.35 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.494 HD12 ' HA ' ' A' ' 33' ' ' GLN . 71.5 mt -60.9 -42.69 93.66 Favored 'Isoleucine or valine' 0 C--O 1.243 0.754 0 N-CA-C 108.536 -0.913 . . . . 25.0 108.536 176.865 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.439 HD23 ' HA ' ' A' ' 23' ' ' ALA . 28.2 tp -67.05 -47.6 70.84 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.801 -0.636 . . . . 25.0 112.26 -178.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.457 HD11 ' HA ' ' A' ' 20' ' ' GLN . 58.5 mt -56.88 -40.51 72.16 Favored 'Isoleucine or valine' 0 C--O 1.244 0.772 0 C-N-CA 122.483 0.313 . . . . 25.0 111.634 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 72.0 mtt85 -59.48 -38.65 81.37 Favored 'General case' 0 N--CA 1.483 1.219 0 O-C-N 121.359 -0.838 . . . . 25.0 112.093 177.043 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -65.26 -43.03 92.58 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-O 121.354 0.597 . . . . 25.0 111.162 179.133 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 63.6 mt -63.05 -42.43 99.7 Favored 'General case' 0 N--CA 1.478 0.937 0 CA-C-O 121.479 0.657 . . . . 25.0 110.479 -178.793 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -67.64 -41.3 84.11 Favored 'General case' 0 N--CA 1.443 -0.785 0 CA-C-N 115.112 -0.949 . . . . 25.0 110.376 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -66.78 -44.57 80.96 Favored 'General case' 0 CA--C 1.541 0.612 0 O-C-N 121.96 -0.463 . . . . 25.0 111.339 -179.166 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 10.9 mm100 -57.07 -39.88 75.83 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.342 0.591 . . . . 25.0 109.7 178.433 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 3.4 t-80 -83.57 -16.04 46.88 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 113.572 0.953 . . . . 25.0 113.572 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 76.3 t80 -72.76 -33.88 66.62 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 108.161 -1.051 . . . . 25.0 108.161 175.557 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 65.7 mt-30 -59.68 -46.4 89.17 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 108.872 -0.788 . . . . 25.0 108.872 176.137 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 23.6 tt0 -63.82 -40.41 96.55 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-O 121.506 0.67 . . . . 25.0 110.441 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 32.5 t80 -61.61 -40.0 93.28 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-O 121.313 0.577 . . . . 25.0 110.733 178.785 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.91 -38.24 76.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 122.004 -0.435 . . . . 25.0 111.406 178.135 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 -63.39 -39.39 94.39 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 110.015 -0.365 . . . . 25.0 110.015 178.363 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 40.1 tt0 -67.26 -42.98 83.0 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.333 -0.618 . . . . 25.0 109.333 178.011 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 30.5 mt -65.43 -28.75 69.46 Favored 'General case' 0 C--O 1.22 -0.459 0 N-CA-C 112.461 0.541 . . . . 25.0 112.461 -178.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -62.39 -39.25 92.6 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-O 121.48 0.657 . . . . 25.0 109.792 176.751 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 63.6 mt-30 -72.75 -33.45 66.37 Favored 'General case' 0 C--O 1.218 -0.579 0 CA-C-N 116.252 -0.431 . . . . 25.0 109.856 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 97.7 t -67.19 -38.86 81.88 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.35 0 N-CA-C 109.268 -0.641 . . . . 25.0 109.268 178.257 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -62.96 -45.24 93.4 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-O 121.524 0.678 . . . . 25.0 109.922 177.123 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 32.8 mt -63.73 -33.58 75.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.321 -0.399 . . . . 25.0 111.421 178.432 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.98 -40.54 93.83 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.603 0.716 . . . . 25.0 110.431 176.803 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 82.2 mt-30 -70.58 -34.65 72.42 Favored 'General case' 0 N--CA 1.435 -1.194 0 CA-C-N 115.792 -0.64 . . . . 25.0 110.364 179.037 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -65.65 -45.63 82.24 Favored 'General case' 0 C--O 1.211 -0.921 0 O-C-N 121.885 -0.51 . . . . 25.0 110.173 178.191 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 18.3 pt20 -69.74 -26.17 64.19 Favored 'General case' 0 C--O 1.22 -0.466 0 CA-C-N 119.021 0.828 . . . . 25.0 111.339 -176.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.83 -38.05 89.69 Favored 'General case' 0 N--CA 1.446 -0.675 0 N-CA-C 109.341 -0.615 . . . . 25.0 109.341 177.775 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -81.17 -40.17 24.35 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-O 121.433 0.635 . . . . 25.0 111.784 179.104 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 68.6 mt -71.2 -40.03 71.42 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 116.278 -0.419 . . . . 25.0 111.104 -175.058 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 39.04 38.82 0.33 Allowed 'General case' 0 N--CA 1.479 0.991 0 N-CA-C 115.136 1.532 . . . . 25.0 115.136 179.067 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -79.31 39.4 0.39 Allowed 'General case' 0 N--CA 1.479 1.023 0 N-CA-C 113.698 0.999 . . . . 25.0 113.698 -177.043 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -86.4 60.51 6.27 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 123.696 1.712 . . . . 25.0 108.833 177.69 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 . . . . . 0 N--CA 1.481 1.124 0 CA-C-O 123.841 1.782 . . . . 25.0 112.482 -176.54 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 61.3 mtt . . . . . 0 N--CA 1.496 1.842 0 CA-C-O 125.614 2.626 . . . . 25.0 111.824 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 26.6 mp0 -76.43 -5.1 45.88 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 113.377 -1.738 . . . . 25.0 110.254 179.749 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -59.21 -23.83 62.61 Favored 'General case' 0 N--CA 1.481 1.125 0 CA-C-O 121.291 0.567 . . . . 25.0 111.944 176.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 35.1 ttpt -45.49 -35.11 3.61 Favored 'General case' 0 CA--C 1.539 0.554 0 N-CA-C 113.87 1.063 . . . . 25.0 113.87 169.829 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.3 pp0? -62.28 -28.69 69.89 Favored 'General case' 0 C--O 1.21 -0.993 0 O-C-N 121.786 -0.571 . . . . 25.0 112.488 -177.621 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 91.1 mt-30 -64.72 -40.56 95.54 Favored 'General case' 0 CA--C 1.514 -0.412 0 CA-C-O 121.895 0.855 . . . . 25.0 109.327 179.036 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 31.3 mt -72.41 -42.72 64.69 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.719 0 N-CA-C 108.592 -0.892 . . . . 25.0 108.592 -178.112 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 73.3 mtp -64.13 -35.93 82.38 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.566 -0.454 . . . . 25.0 111.524 -179.657 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.78 -40.84 88.33 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.159 0.505 . . . . 25.0 109.792 177.121 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.7 -46.43 88.16 Favored 'General case' 0 CA--C 1.538 0.514 0 N-CA-C 109.682 -0.488 . . . . 25.0 109.682 177.758 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 91.9 mt -66.65 -30.77 71.12 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.958 -0.297 . . . . 25.0 110.617 -179.747 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -59.63 -45.24 92.56 Favored 'General case' 0 C--O 1.221 -0.421 0 CA-C-O 121.418 0.628 . . . . 25.0 109.805 176.257 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 43.5 t -66.52 -42.95 86.51 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.699 -0.682 . . . . 25.0 111.573 -179.051 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 87.3 mm-40 -65.6 -38.15 88.64 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 112.523 0.564 . . . . 25.0 112.523 -179.191 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 69.7 p -99.36 4.28 46.29 Favored 'General case' 0 N--CA 1.471 0.581 0 N-CA-C 114.201 1.186 . . . . 25.0 114.201 -173.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -47.73 -73.53 0.04 OUTLIER 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 114.713 1.375 . . . . 25.0 114.713 -174.722 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.9 p -70.28 -27.65 32.71 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.694 0 CA-C-O 121.368 0.604 . . . . 25.0 110.746 -178.605 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 45.1 tt0 -60.85 -45.96 92.47 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.519 0.676 . . . . 25.0 111.566 -178.164 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 12.6 m-30 -84.85 -21.2 29.9 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 116.152 -0.476 . . . . 25.0 110.584 -178.743 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.502 ' HA ' HD11 ' A' ' 38' ' ' ILE . 50.5 tt0 -62.57 -47.39 84.05 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 111.96 0.355 . . . . 25.0 111.96 178.672 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -66.62 -36.17 81.94 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.782 -0.451 . . . . 25.0 109.782 -178.058 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 84.0 t80 -66.52 -41.97 88.0 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 120.4 -0.52 . . . . 25.0 111.545 175.488 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.67 -38.13 89.13 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.297 0.57 . . . . 25.0 109.961 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.82 -25.59 66.52 Favored 'General case' 0 C--O 1.213 -0.833 0 CA-C-N 116.065 -0.516 . . . . 25.0 111.841 178.636 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -76.5 -18.06 58.94 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 116.204 -0.453 . . . . 25.0 111.991 178.231 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 95.4 mm-40 -103.29 -46.37 4.62 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.498 0.666 . . . . 25.0 111.739 -178.177 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 21.7 m-30 -119.13 66.69 8.27 Favored Pre-proline 0 CA--C 1.55 0.957 0 CA-C-N 115.511 -0.768 . . . . 25.0 110.809 179.087 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -65.43 140.32 63.01 Favored 'Trans proline' 0 C--N 1.353 0.798 0 C-N-CA 117.168 -1.421 . . . . 25.0 112.83 -177.803 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 83.82 -17.69 24.98 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 114.463 0.545 . . . . 25.0 114.463 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 11.3 m120 -103.88 80.11 1.72 Allowed 'General case' 0 CA--C 1.503 -0.841 0 CA-C-N 118.244 1.022 . . . . 25.0 110.775 -175.782 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 65.1 t80 -53.66 -44.19 69.46 Favored 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 112.857 0.688 . . . . 25.0 112.857 -178.857 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -60.41 -45.22 94.37 Favored 'General case' 0 CA--C 1.546 0.812 0 O-C-N 122.062 -0.398 . . . . 25.0 111.597 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 87.7 mm-40 -71.53 -34.22 69.86 Favored 'General case' 0 CA--C 1.5 -0.948 0 C-N-CA 121.028 -0.269 . . . . 25.0 111.076 -178.704 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 66.6 mt-30 -58.5 -36.98 74.64 Favored 'General case' 0 N--CA 1.441 -0.913 0 O-C-N 123.4 0.437 . . . . 25.0 110.166 175.058 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -74.34 -38.65 63.2 Favored 'General case' 0 N--CA 1.476 0.833 0 O-C-N 122.115 -0.366 . . . . 25.0 110.55 -176.726 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 67.1 mt -62.42 -42.24 94.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 N-CA-C 109.138 -0.689 . . . . 25.0 109.138 176.492 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 46.2 tp -63.82 -47.29 81.41 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.942 -0.572 . . . . 25.0 111.159 178.639 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.502 HD11 ' HA ' ' A' ' 20' ' ' GLN . 50.0 mt -57.81 -38.62 66.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 111.746 0.276 . . . . 25.0 111.746 178.127 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -59.13 -42.79 91.44 Favored 'General case' 0 N--CA 1.474 0.757 0 O-C-N 121.709 -0.62 . . . . 25.0 109.729 175.562 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -64.85 -43.35 93.31 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 120.773 0.32 . . . . 25.0 110.884 179.055 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 79.1 mt -63.41 -38.03 89.55 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.779 0.323 . . . . 25.0 110.361 -178.604 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -68.66 -37.39 79.61 Favored 'General case' 0 C--N 1.329 -0.321 0 O-C-N 122.198 -0.314 . . . . 25.0 111.101 178.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -67.83 -39.82 83.82 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 120.57 -0.452 . . . . 25.0 110.381 178.116 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -65.77 -42.32 90.96 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-O 121.261 0.553 . . . . 25.0 109.526 175.165 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 64.5 t60 -61.64 -30.07 70.47 Favored 'General case' 0 CA--C 1.538 0.489 0 O-C-N 122.077 -0.389 . . . . 25.0 111.908 177.32 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 59.6 t80 -66.64 -34.91 78.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 121.882 -0.511 . . . . 25.0 110.848 177.135 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 82.4 mt-30 -64.24 -40.81 96.8 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 121.387 -0.821 . . . . 25.0 109.933 177.062 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 40.7 tt0 -62.68 -42.24 99.52 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 109.566 -0.531 . . . . 25.0 109.566 176.461 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 14.1 t80 -62.42 -39.13 92.32 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.183 0.516 . . . . 25.0 110.612 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.48 -39.91 81.16 Favored 'General case' 0 C--N 1.331 -0.218 0 O-C-N 121.126 -0.984 . . . . 25.0 111.264 179.037 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 48.3 tt0 -65.19 -36.95 85.8 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-O 121.019 0.438 . . . . 25.0 109.837 179.202 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 56.8 tt0 -65.35 -43.55 90.5 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.335 -0.393 . . . . 25.0 110.164 176.187 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 28.0 mt -64.51 -28.86 69.94 Favored 'General case' 0 C--O 1.222 -0.35 0 N-CA-C 112.401 0.519 . . . . 25.0 112.401 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -65.15 -36.87 85.6 Favored 'General case' 0 C--O 1.241 0.607 0 O-C-N 121.991 -0.443 . . . . 25.0 110.644 175.706 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 82.0 mt-30 -71.8 -35.69 70.05 Favored 'General case' 0 C--O 1.212 -0.908 0 CA-C-O 121.293 0.568 . . . . 25.0 110.0 178.838 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 90.8 t -65.78 -39.46 84.86 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 CA-C-N 115.723 -0.671 . . . . 25.0 110.47 176.392 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 2.5 mm100 -58.1 -49.1 78.12 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.858 0.361 . . . . 25.0 110.053 174.821 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 61.4 mt -62.56 -38.47 90.18 Favored 'General case' 0 C--N 1.322 -0.594 0 O-C-N 122.106 -0.371 . . . . 25.0 111.833 -178.698 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.73 -40.99 89.91 Favored 'General case' 0 C--O 1.221 -0.423 0 CA-C-O 121.083 0.468 . . . . 25.0 110.978 179.725 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 65.0 mt-30 -75.0 -37.87 61.72 Favored 'General case' 0 N--CA 1.443 -0.801 0 C-N-CA 120.402 -0.519 . . . . 25.0 111.059 178.157 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 1.5 mm100 -61.65 -44.53 96.79 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.884 -0.144 . . . . 25.0 111.312 -179.691 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 20.1 pt20 -66.46 -30.49 70.84 Favored 'General case' 0 C--O 1.221 -0.418 0 O-C-N 121.567 -0.708 . . . . 25.0 111.367 179.337 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -71.47 -39.01 71.18 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 120.464 -0.495 . . . . 25.0 110.191 178.112 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -70.5 -36.92 74.07 Favored 'General case' 0 C--O 1.219 -0.506 0 CA-C-O 121.28 0.562 . . . . 25.0 110.22 -178.451 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 69.3 mt -79.3 -36.75 39.18 Favored 'General case' 0 C--O 1.216 -0.667 0 CA-C-N 116.372 -0.376 . . . . 25.0 111.746 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 35.6 37.81 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.488 0 N-CA-C 116.393 1.997 . . . . 25.0 116.393 -177.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 19.1 ptpt -81.91 2.26 31.37 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 115.254 -0.885 . . . . 25.0 112.761 -178.624 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 29.6 mm100 -99.73 52.8 0.92 Allowed 'General case' 0 C--N 1.318 -0.795 0 CA-C-O 121.48 0.657 . . . . 25.0 109.694 178.583 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 10.6 tm0? . . . . . 0 C--O 1.209 -1.033 0 CA-C-O 123.524 1.63 . . . . 25.0 112.479 -178.966 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.8 ptp . . . . . 0 N--CA 1.508 2.466 0 CA-C-O 123.419 1.58 . . . . 25.0 112.8 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 72.32 133.01 0.04 OUTLIER 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 128.468 2.707 . . . . 25.0 112.843 -178.701 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -124.68 28.91 6.39 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 107.763 -1.199 . . . . 25.0 107.763 177.414 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.404 ' HA ' HD12 ' A' ' 7' ' ' ILE . 96.9 mttt -58.79 -39.02 79.88 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.71 -0.677 . . . . 25.0 112.167 -178.552 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 30.3 pt20 -70.13 -24.14 63.14 Favored 'General case' 0 C--O 1.216 -0.685 0 N-CA-C 112.45 0.537 . . . . 25.0 112.45 -179.031 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -71.69 -33.33 68.71 Favored 'General case' 0 C--O 1.219 -0.51 0 O-C-N 121.841 -0.537 . . . . 25.0 110.002 178.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.404 HD12 ' HA ' ' A' ' 4' ' ' LYS . 40.8 mt -66.61 -43.0 90.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 107.264 -1.384 . . . . 25.0 107.264 177.047 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 80.9 mmm -63.27 -35.97 82.13 Favored 'General case' 0 C--O 1.211 -0.974 0 CA-C-N 116.068 -0.514 . . . . 25.0 112.059 177.552 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.46 -39.5 92.09 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-O 121.283 0.563 . . . . 25.0 110.682 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.35 -46.77 72.44 Favored 'General case' 0 C--O 1.235 0.312 0 N-CA-C 109.48 -0.563 . . . . 25.0 109.48 177.452 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 51.2 mt -61.16 -40.66 94.68 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.41 -0.814 . . . . 25.0 111.144 -179.462 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -59.26 -45.45 91.17 Favored 'General case' 0 C--O 1.219 -0.52 0 O-C-N 121.804 -0.56 . . . . 25.0 110.754 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 38.0 m -68.35 -45.96 71.43 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 112.06 0.392 . . . . 25.0 112.06 -178.405 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 16.3 pt20 -74.21 -14.15 60.9 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 113.243 0.831 . . . . 25.0 113.243 -173.741 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 81.0 p -113.2 0.52 14.92 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.249 0.463 . . . . 25.0 112.249 178.608 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -51.8 -68.05 0.2 Allowed 'General case' 0 C--O 1.215 -0.744 0 N-CA-C 113.388 0.884 . . . . 25.0 113.388 -174.095 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.5 p -69.64 -27.71 34.72 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.809 0 CA-C-O 121.255 0.55 . . . . 25.0 111.247 -177.481 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -68.95 -44.89 72.08 Favored 'General case' 0 C--O 1.222 -0.392 0 O-C-N 121.565 -0.709 . . . . 25.0 111.119 -177.396 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 15.0 m-30 -78.8 -21.5 47.7 Favored 'General case' 0 C--O 1.211 -0.922 0 O-C-N 121.51 -0.744 . . . . 25.0 109.936 177.562 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.417 ' HA ' HD11 ' A' ' 38' ' ' ILE . 27.9 tt0 -61.8 -44.11 97.52 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 118.355 0.525 . . . . 25.0 110.165 177.145 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -64.12 -36.99 85.85 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.338 0.59 . . . . 25.0 111.092 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 79.2 t80 -68.48 -43.13 77.6 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 121.956 -0.465 . . . . 25.0 111.114 176.194 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.01 -35.46 80.3 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.908 0.385 . . . . 25.0 111.387 -178.322 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.97 -25.36 65.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.034 -0.53 . . . . 25.0 111.093 179.587 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -74.61 -26.91 60.22 Favored 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 122.629 0.371 . . . . 25.0 110.782 178.021 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -93.84 -47.07 6.92 Favored 'General case' 0 C--O 1.214 -0.771 0 CA-C-N 116.158 -0.474 . . . . 25.0 111.888 -176.2 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -121.58 67.96 21.27 Favored Pre-proline 0 C--N 1.326 -0.449 0 CA-C-N 115.902 -0.59 . . . . 25.0 110.444 -178.628 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -67.53 139.45 49.0 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 115.41 -2.593 . . . . 25.0 112.51 -176.596 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 82.12 -24.05 4.93 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 114.851 0.7 . . . . 25.0 114.851 -179.406 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -95.49 85.16 4.13 Favored 'General case' 0 CA--C 1.512 -0.483 0 CA-C-N 117.993 0.897 . . . . 25.0 109.966 -176.756 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 11.1 t80 -54.56 -43.26 71.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.292 -0.867 . . . . 25.0 111.805 -179.092 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -60.37 -46.77 88.76 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 112.059 0.392 . . . . 25.0 112.059 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 95.8 mm-40 -70.12 -35.01 73.79 Favored 'General case' 0 C--N 1.321 -0.643 0 O-C-N 121.935 -0.478 . . . . 25.0 110.922 -179.168 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 59.6 mt-30 -57.7 -39.29 76.84 Favored 'General case' 0 C--N 1.315 -0.898 0 N-CA-C 109.568 -0.53 . . . . 25.0 109.568 175.108 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 96.6 mm-40 -72.17 -39.57 68.58 Favored 'General case' 0 N--CA 1.481 1.099 0 O-C-N 121.666 -0.646 . . . . 25.0 110.036 -177.359 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 78.6 mt -62.21 -42.94 97.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 N-CA-C 109.075 -0.713 . . . . 25.0 109.075 178.582 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 33.8 tp -62.56 -51.72 66.27 Favored 'General case' 0 C--O 1.209 -1.059 0 N-CA-C 109.886 -0.412 . . . . 25.0 109.886 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.417 HD11 ' HA ' ' A' ' 20' ' ' GLN . 58.5 mt -56.44 -40.69 69.08 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 CA-C-O 121.002 0.429 . . . . 25.0 111.536 179.627 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 70.5 ttt-85 -61.88 -39.72 92.89 Favored 'General case' 0 C--N 1.321 -0.635 0 O-C-N 122.213 -0.304 . . . . 25.0 110.63 179.098 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -71.99 -39.79 69.03 Favored 'General case' 0 CA--C 1.536 0.436 0 N-CA-C 111.492 0.182 . . . . 25.0 111.492 176.413 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 93.0 mt -60.75 -42.22 96.98 Favored 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 109.537 -0.542 . . . . 25.0 109.537 179.56 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -66.01 -35.17 79.83 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 119.533 -0.27 . . . . 25.0 110.931 179.393 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 82.9 tt0 -70.23 -43.1 71.33 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 117.907 0.322 . . . . 25.0 111.837 179.23 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -66.63 -39.11 88.13 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.883 0.849 . . . . 25.0 109.519 178.734 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 44.1 t-80 -65.42 -31.19 72.16 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.97 -0.559 . . . . 25.0 110.647 176.121 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 41.6 t80 -61.45 -37.77 84.76 Favored 'General case' 0 N--CA 1.472 0.65 0 O-C-N 121.98 -0.45 . . . . 25.0 110.887 179.723 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 80.2 mt-30 -62.6 -43.33 99.09 Favored 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 109.782 -0.451 . . . . 25.0 109.782 179.078 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 11.6 tm0? -66.25 -42.08 89.05 Favored 'General case' 0 C--O 1.222 -0.365 0 N-CA-C 109.862 -0.421 . . . . 25.0 109.862 178.825 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 23.3 t80 -60.43 -43.27 96.94 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.061 -0.518 . . . . 25.0 109.8 -179.457 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.14 -40.96 91.01 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 116.794 -0.184 . . . . 25.0 111.432 177.58 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -63.25 -41.85 99.11 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.982 -0.377 . . . . 25.0 109.982 178.585 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 55.5 tp60 -66.54 -43.1 86.03 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 121.867 -0.521 . . . . 25.0 110.083 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 35.1 mt -63.44 -30.06 71.25 Favored 'General case' 0 C--O 1.22 -0.499 0 CA-C-O 120.459 0.171 . . . . 25.0 111.411 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -66.68 -38.01 85.92 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.664 -0.244 . . . . 25.0 110.591 177.046 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 73.0 mt-30 -71.22 -33.98 70.39 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.431 0.634 . . . . 25.0 109.811 177.033 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 79.3 t -68.43 -36.55 75.3 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.433 0 N-CA-C 109.574 -0.528 . . . . 25.0 109.574 178.207 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -61.15 -46.24 91.35 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 120.874 0.368 . . . . 25.0 110.088 173.846 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 47.1 mt -65.62 -32.81 74.58 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.445 0.535 . . . . 25.0 112.445 178.781 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.64 -41.11 94.29 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.594 -0.521 . . . . 25.0 109.594 176.316 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 71.9 mt-30 -73.18 -33.82 65.64 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-O 121.334 0.587 . . . . 25.0 110.411 178.784 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 5.3 mm-40 -66.25 -43.75 85.64 Favored 'General case' 0 C--O 1.222 -0.354 0 O-C-N 121.832 -0.543 . . . . 25.0 111.206 179.408 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 18.0 pt20 -69.67 -26.64 64.49 Favored 'General case' 0 C--O 1.221 -0.418 0 C-N-CA 120.161 -0.616 . . . . 25.0 110.436 179.719 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -70.89 -34.76 71.9 Favored 'General case' 0 C--O 1.222 -0.385 0 CA-C-O 121.079 0.466 . . . . 25.0 110.193 175.832 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -73.38 -39.64 64.96 Favored 'General case' 0 C--N 1.328 -0.363 0 O-C-N 121.966 -0.458 . . . . 25.0 109.966 179.135 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 86.3 mt -67.13 -39.78 86.68 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.483 -0.781 . . . . 25.0 110.991 178.235 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 37.69 38.75 0.17 Allowed 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 125.385 1.474 . . . . 25.0 114.334 -179.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 32.1 tttt -107.01 33.3 4.04 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.419 -0.81 . . . . 25.0 111.625 -175.646 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -84.28 67.78 9.93 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 122.736 1.255 . . . . 25.0 107.718 176.54 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 . . . . . 0 C--O 1.209 -1.064 0 CA-C-O 123.817 1.77 . . . . 25.0 113.21 -172.049 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 57.1 ttm . . . . . 0 C--O 1.199 -1.559 0 CA-C-O 122.795 1.284 . . . . 25.0 111.938 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 57.25 17.9 3.92 Favored 'General case' 0 C--N 1.355 0.815 0 C-N-CA 125.583 1.553 . . . . 25.0 113.423 178.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -68.64 -1.45 6.9 Favored 'General case' 0 N--CA 1.48 1.034 0 CA-C-O 122.013 0.911 . . . . 25.0 112.397 -179.4 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 26.1 mtmm -55.77 -35.03 65.79 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.533 -0.758 . . . . 25.0 111.363 173.693 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 25.2 pt20 -69.98 -23.96 63.24 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 112.872 0.693 . . . . 25.0 112.872 -178.773 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -68.43 -35.7 78.01 Favored 'General case' 0 CA--C 1.511 -0.529 0 N-CA-C 109.16 -0.681 . . . . 25.0 109.16 179.359 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 24.8 mt -65.38 -39.57 85.66 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.502 0 N-CA-C 108.43 -0.952 . . . . 25.0 108.43 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 93.4 mmm -62.12 -44.22 97.13 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 122.07 -0.394 . . . . 25.0 110.603 177.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.65 -35.28 80.51 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-O 120.754 0.311 . . . . 25.0 111.179 178.749 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.11 -40.97 78.0 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.921 0.391 . . . . 25.0 110.213 178.325 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 54.4 mt -65.38 -33.7 76.57 Favored 'General case' 0 C--O 1.217 -0.657 0 O-C-N 121.991 -0.443 . . . . 25.0 110.988 -178.455 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -59.8 -37.81 80.18 Favored 'General case' 0 C--O 1.215 -0.727 0 CA-C-O 121.252 0.548 . . . . 25.0 110.798 177.647 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 36.9 t -75.21 -42.43 55.58 Favored 'General case' 0 C--O 1.22 -0.454 0 O-C-N 121.69 -0.632 . . . . 25.0 112.317 175.748 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 60.7 mt-30 -64.62 -40.94 96.37 Favored 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 114.334 1.235 . . . . 25.0 114.334 -175.691 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 81.6 p -102.62 6.32 39.65 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-N 115.871 -0.604 . . . . 25.0 111.9 -173.438 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -43.04 -69.03 0.15 Allowed 'General case' 0 C--O 1.242 0.67 0 N-CA-C 114.708 1.373 . . . . 25.0 114.708 -174.746 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.9 p -74.63 -28.02 21.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 121.79 -0.569 . . . . 25.0 111.607 -174.833 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -58.98 -48.21 82.37 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.886 -0.413 . . . . 25.0 109.886 179.626 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 19.1 m-30 -80.46 -29.48 37.48 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 120.895 -0.322 . . . . 25.0 110.967 179.603 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.483 ' HA ' HD11 ' A' ' 38' ' ' ILE . 15.8 tt0 -62.93 -43.17 99.52 Favored 'General case' 0 C--O 1.221 -0.431 0 O-C-N 121.788 -0.57 . . . . 25.0 112.493 -179.444 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -65.56 -39.11 91.31 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 120.61 -0.436 . . . . 25.0 110.534 -179.633 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 54.9 t80 -67.25 -39.99 86.23 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.872 0.368 . . . . 25.0 111.023 177.146 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.41 ' HA ' HD23 ' A' ' 37' ' ' LEU . . . -64.87 -36.49 84.51 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.673 0.273 . . . . 25.0 110.748 179.061 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.29 -29.81 66.66 Favored 'General case' 0 C--O 1.205 -1.282 0 CA-C-N 116.607 -0.269 . . . . 25.0 110.48 179.217 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -70.12 -31.48 69.05 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.226 0.536 . . . . 25.0 110.208 178.261 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 9.2 mm100 -87.82 -46.88 9.05 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 115.858 -0.61 . . . . 25.0 111.394 -175.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -122.17 68.92 28.48 Favored Pre-proline 0 C--O 1.242 0.669 0 CA-C-N 116.378 -0.374 . . . . 25.0 110.43 -178.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -68.7 140.07 45.84 Favored 'Trans proline' 0 C--O 1.216 -0.608 0 C-N-CA 116.484 -1.877 . . . . 25.0 113.048 -178.825 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 86.0 -22.2 12.98 Favored Glycine 0 C--O 1.216 -1.009 0 CA-C-N 115.393 -0.821 . . . . 25.0 115.09 -178.227 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -103.99 85.24 2.37 Favored 'General case' 0 CA--C 1.507 -0.703 0 CA-C-N 118.518 1.159 . . . . 25.0 111.818 -175.198 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 39.5 t80 -51.15 -43.87 61.3 Favored 'General case' 0 C--O 1.218 -0.565 0 C-N-CA 122.459 0.304 . . . . 25.0 111.153 179.085 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 19.1 pt-20 -61.2 -43.31 99.08 Favored 'General case' 0 C--O 1.213 -0.847 0 N-CA-C 113.242 0.83 . . . . 25.0 113.242 -178.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 87.8 mm-40 -71.51 -35.35 70.71 Favored 'General case' 0 CA--C 1.507 -0.677 0 N-CA-C 109.728 -0.471 . . . . 25.0 109.728 -179.01 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 64.6 mt-30 -58.63 -37.83 76.74 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.06 -1.089 . . . . 25.0 108.06 176.544 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 76.1 mm-40 -73.57 -36.91 65.64 Favored 'General case' 0 N--CA 1.47 0.565 0 O-C-N 121.529 -0.732 . . . . 25.0 111.289 -175.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 75.3 mt -62.12 -43.93 98.39 Favored 'Isoleucine or valine' 0 C--O 1.238 0.5 0 N-CA-C 108.701 -0.852 . . . . 25.0 108.701 177.664 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.41 HD23 ' HA ' ' A' ' 23' ' ' ALA . 40.7 tp -64.47 -48.96 73.26 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.552 -0.459 . . . . 25.0 110.81 -179.786 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.483 HD11 ' HA ' ' A' ' 20' ' ' GLN . 83.5 mt -58.92 -38.25 72.12 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.598 0 N-CA-C 111.914 0.338 . . . . 25.0 111.914 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 61.9 mtp180 -57.33 -43.58 83.47 Favored 'General case' 0 C--N 1.327 -0.381 0 O-C-N 121.739 -0.601 . . . . 25.0 110.565 178.212 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 82.7 mt-30 -77.21 -30.47 54.72 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 112.229 0.455 . . . . 25.0 112.229 -178.332 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 91.3 mt -64.21 -41.33 97.09 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.637 0.732 . . . . 25.0 109.082 177.115 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 21.4 mt-30 -69.39 -37.29 77.45 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.985 -0.552 . . . . 25.0 110.193 179.576 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 48.8 tt0 -61.92 -45.11 95.12 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.819 0.818 . . . . 25.0 109.853 178.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 14.4 tp60 -65.68 -38.04 88.15 Favored 'General case' 0 C--N 1.321 -0.662 0 O-C-N 121.292 -0.88 . . . . 25.0 112.173 -179.347 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 60.4 t60 -65.61 -26.38 67.8 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.222 0.534 . . . . 25.0 112.054 -178.69 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 19.6 t80 -60.12 -32.54 71.11 Favored 'General case' 0 C--O 1.243 0.757 0 N-CA-C 113.089 0.774 . . . . 25.0 113.089 179.334 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 -61.45 -40.23 93.72 Favored 'General case' 0 N--CA 1.478 0.956 0 CA-C-N 116.537 -0.301 . . . . 25.0 110.509 -179.573 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -71.61 -36.39 70.78 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.986 0.422 . . . . 25.0 110.263 -178.468 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 18.1 t80 -60.87 -41.11 95.31 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.302 0.572 . . . . 25.0 109.706 176.498 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.7 -41.27 79.38 Favored 'General case' 0 C--N 1.322 -0.603 0 O-C-N 121.865 -0.522 . . . . 25.0 111.093 179.744 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 40.6 tt0 -61.71 -40.0 93.49 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.221 -0.445 . . . . 25.0 110.686 177.627 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -62.07 -46.6 88.41 Favored 'General case' 0 N--CA 1.466 0.333 0 N-CA-C 109.583 -0.525 . . . . 25.0 109.583 179.006 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 57.4 mt -60.17 -32.97 71.56 Favored 'General case' 0 N--CA 1.474 0.725 0 N-CA-C 112.795 0.665 . . . . 25.0 112.795 -178.231 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -64.92 -38.29 90.47 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 120.629 -0.428 . . . . 25.0 110.551 177.551 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 68.1 mt-30 -75.29 -32.27 60.96 Favored 'General case' 0 C--N 1.323 -0.578 0 O-C-N 121.709 -0.619 . . . . 25.0 109.703 -179.641 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 74.5 t -65.09 -37.3 79.86 Favored 'Isoleucine or valine' 0 C--O 1.245 0.83 0 N-CA-C 109.866 -0.42 . . . . 25.0 109.866 175.597 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -64.56 -43.89 92.47 Favored 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 120.419 -0.513 . . . . 25.0 110.305 178.036 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 84.6 mt -65.33 -35.33 80.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 123.266 0.354 . . . . 25.0 110.418 178.137 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.18 -42.18 98.11 Favored 'General case' 0 N--CA 1.47 0.528 0 O-C-N 122.027 -0.42 . . . . 25.0 110.342 178.682 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -68.93 -34.93 76.17 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 120.489 -0.484 . . . . 25.0 110.27 179.067 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -65.44 -46.73 78.74 Favored 'General case' 0 C--O 1.219 -0.511 0 O-C-N 121.868 -0.52 . . . . 25.0 110.907 179.626 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 15.3 pt20 -69.06 -29.02 67.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 121.561 -0.712 . . . . 25.0 111.392 -178.835 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.12 -30.56 71.5 Favored 'General case' 0 C--O 1.214 -0.807 0 N-CA-C 112.682 0.623 . . . . 25.0 112.682 175.339 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -89.29 -27.6 20.44 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.677 0.751 . . . . 25.0 111.659 178.272 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 32.9 mt -80.06 -43.27 22.14 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 122.007 -0.433 . . . . 25.0 110.3 -175.758 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 44.35 43.16 5.88 Favored 'General case' 0 CA--C 1.55 0.962 0 N-CA-C 113.503 0.927 . . . . 25.0 113.503 -179.288 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 13.3 mptt -81.41 31.68 0.34 Allowed 'General case' 0 N--CA 1.478 0.951 0 N-CA-C 114.589 1.329 . . . . 25.0 114.589 -173.655 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 97.6 mm-40 -125.09 76.49 1.54 Allowed 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 106.95 -1.5 . . . . 25.0 106.95 175.848 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.21 -1.014 0 CA-C-O 125.525 2.583 . . . . 25.0 111.007 -176.662 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.199 -1.595 0 CA-C-O 122.748 1.261 . . . . 25.0 114.158 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 41.9 tt0 -90.67 -37.09 13.98 Favored 'General case' 0 C--O 1.239 0.517 0 N-CA-C 107.895 -1.15 . . . . 25.0 107.895 177.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -135.84 145.31 46.28 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.111 0.412 . . . . 25.0 112.111 -178.231 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 58.3 mtmt -63.26 -23.38 67.39 Favored 'General case' 0 C--N 1.313 -0.984 0 N-CA-C 111.862 0.319 . . . . 25.0 111.862 177.878 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -62.8 -26.41 68.72 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 112.76 0.652 . . . . 25.0 112.76 177.024 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -67.18 -38.6 85.68 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.093 -0.706 . . . . 25.0 109.093 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 38.4 mt -69.17 -43.34 81.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 108.322 -0.992 . . . . 25.0 108.322 179.642 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 66.5 mmm -60.64 -42.06 96.16 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 116.222 -0.445 . . . . 25.0 111.822 179.465 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.59 -40.33 95.34 Favored 'General case' 0 C--O 1.242 0.703 0 CA-C-O 121.511 0.672 . . . . 25.0 110.879 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.85 -45.9 80.47 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 115.87 -0.605 . . . . 25.0 110.837 -179.486 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 74.7 mt -62.67 -41.37 99.05 Favored 'General case' 0 C--O 1.232 0.148 0 C-N-CA 120.787 -0.365 . . . . 25.0 110.267 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 6.0 m-80 -61.38 -36.08 79.25 Favored 'General case' 0 CA--C 1.511 -0.557 0 CA-C-O 121.087 0.47 . . . . 25.0 109.858 -179.582 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 21.6 m -68.76 -45.0 72.53 Favored 'General case' 0 C--O 1.208 -1.08 0 CA-C-O 121.565 0.698 . . . . 25.0 112.248 177.465 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 31.0 mm100 -66.69 -25.15 66.41 Favored 'General case' 0 C--O 1.235 0.313 0 N-CA-C 113.513 0.931 . . . . 25.0 113.513 -175.319 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 56.0 p -118.96 10.94 12.37 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 113.121 0.785 . . . . 25.0 113.121 -174.342 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.51 -66.21 0.42 Allowed 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 113.146 0.795 . . . . 25.0 113.146 -177.026 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 10.9 p -70.79 -28.55 34.34 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.765 0 CA-C-O 121.996 0.903 . . . . 25.0 109.961 -176.711 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 39.9 tt0 -61.14 -45.42 94.71 Favored 'General case' 0 C--O 1.218 -0.589 0 CA-C-O 121.885 0.85 . . . . 25.0 111.109 -178.443 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 19.0 m-30 -78.3 -26.03 46.82 Favored 'General case' 0 CA--C 1.504 -0.795 0 CA-C-N 115.794 -0.639 . . . . 25.0 110.981 177.838 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 44.5 tt0 -64.21 -41.09 97.19 Favored 'General case' 0 N--CA 1.472 0.631 0 O-C-N 121.305 -0.872 . . . . 25.0 110.34 178.123 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 82.9 mt-30 -63.95 -41.14 97.68 Favored 'General case' 0 C--O 1.241 0.655 0 CA-C-N 116.27 -0.423 . . . . 25.0 110.779 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 57.2 t80 -67.22 -41.64 85.38 Favored 'General case' 0 C--O 1.208 -1.097 0 CA-C-O 121.691 0.758 . . . . 25.0 110.49 177.353 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.59 -41.28 97.2 Favored 'General case' 0 C--N 1.344 0.336 0 CA-C-N 115.867 -0.606 . . . . 25.0 109.453 -178.529 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.44 -30.22 69.05 Favored 'General case' 0 C--O 1.207 -1.149 0 CA-C-O 121.102 0.477 . . . . 25.0 110.768 -179.777 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -69.45 -26.36 64.55 Favored 'General case' 0 C--N 1.311 -1.089 0 CA-C-N 116.262 -0.426 . . . . 25.0 110.891 179.113 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 28.4 mm100 -95.49 -41.93 8.71 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 113.398 0.888 . . . . 25.0 113.398 -176.838 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 24.6 m-85 -122.89 68.39 34.09 Favored Pre-proline 0 C--O 1.253 1.27 0 CA-C-O 121.688 0.756 . . . . 25.0 111.299 179.749 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_endo -71.07 138.27 33.35 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 115.91 -2.26 . . . . 25.0 113.231 -177.491 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 82.95 -9.35 60.38 Favored Glycine 0 N--CA 1.463 0.461 0 O-C-N 121.942 -0.474 . . . . 25.0 114.268 -178.347 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -114.16 81.41 1.53 Allowed 'General case' 0 C--O 1.227 -0.112 0 O-C-N 121.784 -0.833 . . . . 25.0 111.71 -176.549 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 11.1 t80 -54.19 -39.64 66.82 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.721 -0.672 . . . . 25.0 111.651 179.689 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -60.27 -45.98 91.41 Favored 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 112.437 0.532 . . . . 25.0 112.437 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -73.64 -32.49 64.06 Favored 'General case' 0 CA--C 1.503 -0.833 0 O-C-N 121.755 -0.591 . . . . 25.0 111.39 -177.652 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 66.6 mt-30 -60.18 -38.66 83.91 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.61 -0.723 . . . . 25.0 110.755 173.885 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 93.0 mm-40 -72.2 -36.92 69.32 Favored 'General case' 0 C--N 1.32 -0.695 0 O-C-N 122.07 -0.394 . . . . 25.0 110.755 -178.3 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 65.1 mt -66.17 -46.32 87.86 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.427 0 N-CA-C 109.988 -0.375 . . . . 25.0 109.988 178.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 19.7 tp -55.98 -46.53 78.65 Favored 'General case' 0 C--O 1.244 0.792 0 N-CA-C 113.204 0.816 . . . . 25.0 113.204 -177.059 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 68.1 mt -56.63 -35.21 44.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 C-N-CA 122.907 0.483 . . . . 25.0 111.346 -178.803 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 89.5 mtt180 -60.68 -44.71 96.18 Favored 'General case' 0 N--CA 1.471 0.581 0 O-C-N 121.456 -0.777 . . . . 25.0 111.338 178.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.5 mp0 -66.94 -39.08 87.21 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.943 -0.571 . . . . 25.0 111.546 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 92.0 mt -59.75 -50.09 75.19 Favored 'General case' 0 C--N 1.312 -1.042 0 CA-C-O 121.276 0.56 . . . . 25.0 110.206 177.684 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 45.8 mm-40 -61.44 -42.21 98.39 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.438 -0.347 . . . . 25.0 111.68 -176.623 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 63.5 tt0 -65.26 -45.42 84.6 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 109.512 -0.551 . . . . 25.0 109.512 -178.108 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 40.5 tt0 -64.77 -41.07 96.14 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-O 121.601 0.715 . . . . 25.0 112.229 -179.505 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 20.2 m80 -66.9 -21.6 65.99 Favored 'General case' 0 C--O 1.241 0.647 0 O-C-N 121.245 -0.909 . . . . 25.0 112.533 -176.81 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 41.5 t80 -60.88 -32.38 71.83 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-O 122.178 0.99 . . . . 25.0 112.839 173.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -61.89 -42.58 99.24 Favored 'General case' 0 N--CA 1.482 1.156 0 O-C-N 121.773 -0.58 . . . . 25.0 109.805 -179.454 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 40.6 tt0 -68.36 -36.65 79.54 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.98 -0.555 . . . . 25.0 110.461 -179.602 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 20.9 t80 -62.73 -36.55 83.36 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.94 0.4 . . . . 25.0 111.644 178.237 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.04 -43.43 92.38 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 120.182 -0.607 . . . . 25.0 110.421 176.29 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -61.97 -37.82 86.2 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-O 121.549 0.69 . . . . 25.0 110.654 177.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 60.8 tt0 -68.12 -44.37 76.31 Favored 'General case' 0 CA--C 1.513 -0.459 0 O-C-N 121.844 -0.535 . . . . 25.0 110.866 178.562 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 29.2 mt -58.77 -34.18 71.14 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 120.429 -0.508 . . . . 25.0 112.061 -178.616 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -59.19 -43.3 92.21 Favored 'General case' 0 CA--C 1.55 0.978 0 O-C-N 122.167 -0.333 . . . . 25.0 110.363 176.73 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 64.8 mt-30 -71.47 -33.06 68.98 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 120.24 -0.584 . . . . 25.0 111.531 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 92.5 t -65.17 -40.13 87.78 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 CA-C-O 121.475 0.655 . . . . 25.0 109.955 176.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -60.9 -45.1 95.96 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 121.773 -0.579 . . . . 25.0 110.726 177.355 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 40.9 mt -65.89 -34.53 78.34 Favored 'General case' 0 C--N 1.31 -1.112 0 CA-C-O 120.672 0.272 . . . . 25.0 111.158 179.75 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.52 -36.85 85.53 Favored 'General case' 0 C--O 1.219 -0.507 0 O-C-N 121.749 -0.595 . . . . 25.0 110.487 179.253 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -72.53 -26.69 61.85 Favored 'General case' 0 N--CA 1.442 -0.865 0 O-C-N 122.055 -0.403 . . . . 25.0 111.97 176.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -68.56 -38.19 80.55 Favored 'General case' 0 C--O 1.208 -1.087 0 N-CA-C 108.555 -0.906 . . . . 25.0 108.555 172.458 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 15.3 mm-40 -66.19 -37.22 85.09 Favored 'General case' 0 C--N 1.318 -0.772 0 O-C-N 121.697 -0.627 . . . . 25.0 109.702 177.277 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -62.67 -32.71 73.82 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 122.382 0.273 . . . . 25.0 111.504 179.312 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -76.32 -33.17 59.03 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 116.431 -0.35 . . . . 25.0 111.381 177.833 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 78.0 mt -81.62 -38.49 25.92 Favored 'General case' 0 C--O 1.217 -0.609 0 N-CA-C 112.557 0.577 . . . . 25.0 112.557 -175.585 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 90.6 mm-40 52.42 39.9 28.5 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 124.581 1.152 . . . . 25.0 111.184 -175.497 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 19.9 tttt -131.55 17.0 4.85 Favored 'General case' 0 N--CA 1.48 1.074 0 N-CA-C 117.63 2.456 . . . . 25.0 117.63 -173.355 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -78.33 51.49 1.03 Allowed 'General case' 0 C--N 1.315 -0.918 0 CA-C-O 122.718 1.247 . . . . 25.0 112.981 177.731 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 28.9 pt20 . . . . . 0 C--O 1.213 -0.846 0 CA-C-O 123.85 1.786 . . . . 25.0 113.772 -176.122 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.6 mpp? . . . . . 0 N--CA 1.472 0.67 0 CA-C-O 124.064 1.888 . . . . 25.0 112.377 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.1 pm0 -91.52 158.77 16.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 113.948 -1.478 . . . . 25.0 110.351 -177.107 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 54.88 18.03 2.03 Favored 'General case' 0 N--CA 1.479 0.99 0 N-CA-C 116.147 1.906 . . . . 25.0 116.147 176.217 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 56.1 mtmt -56.67 -35.55 68.57 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 114.292 1.219 . . . . 25.0 114.292 179.232 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 92.2 mt-30 -69.44 -24.46 63.82 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 112.094 0.405 . . . . 25.0 112.094 179.791 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 67.5 mm-40 -66.65 -39.33 88.19 Favored 'General case' 0 N--CA 1.466 0.374 0 N-CA-C 108.042 -1.096 . . . . 25.0 108.042 176.794 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 57.5 mt -67.77 -41.27 85.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 108.959 -0.756 . . . . 25.0 108.959 -179.779 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 87.7 mtp -63.63 -32.62 74.16 Favored 'General case' 0 C--N 1.321 -0.632 0 O-C-N 121.645 -0.66 . . . . 25.0 112.101 178.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.17 -38.86 78.92 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.784 0.326 . . . . 25.0 110.143 178.017 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.1 -42.02 85.27 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-O 120.889 0.376 . . . . 25.0 110.199 178.793 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 73.2 mt -63.06 -37.49 87.42 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-N 116.045 -0.525 . . . . 25.0 109.751 177.697 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -59.32 -38.46 80.33 Favored 'General case' 0 C--O 1.216 -0.692 0 C-N-CA 121.141 -0.224 . . . . 25.0 111.315 179.062 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 46.4 t -68.9 -44.92 72.23 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.347 0.594 . . . . 25.0 110.73 -179.708 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 94.4 mm-40 -65.66 -28.94 69.46 Favored 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 113.922 1.082 . . . . 25.0 113.922 -178.727 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 69.6 p -110.56 6.25 21.77 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 113.576 0.954 . . . . 25.0 113.576 -174.179 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.28 -72.5 0.05 Allowed 'General case' 0 C--O 1.219 -0.503 0 N-CA-C 113.096 0.776 . . . . 25.0 113.096 -174.815 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.0 p -69.74 -25.92 29.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 121.195 0.521 . . . . 25.0 109.821 -176.665 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 15.9 tt0 -59.88 -50.63 73.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.903 -0.589 . . . . 25.0 110.48 -179.604 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 19.5 m-30 -85.7 -20.82 28.8 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.191 -0.459 . . . . 25.0 111.077 -178.066 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 60.4 tt0 -61.64 -48.61 80.1 Favored 'General case' 0 N--CA 1.473 0.691 0 O-C-N 121.684 -0.635 . . . . 25.0 112.024 178.406 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 96.2 mm-40 -67.44 -34.91 78.19 Favored 'General case' 0 N--CA 1.451 -0.383 0 N-CA-C 109.349 -0.611 . . . . 25.0 109.349 -177.277 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 64.1 t80 -66.29 -43.02 87.54 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 121.735 -0.603 . . . . 25.0 111.109 175.357 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.3 -37.86 88.98 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 121.948 -0.47 . . . . 25.0 110.531 -177.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.44 -28.23 68.44 Favored 'General case' 0 C--O 1.216 -0.658 0 CA-C-N 116.699 -0.228 . . . . 25.0 110.643 177.05 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 21.1 tt0 -73.11 -20.54 60.91 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.179 -0.464 . . . . 25.0 111.418 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 97.8 mm-40 -100.32 -49.19 4.33 Favored 'General case' 0 N--CA 1.475 0.818 0 CA-C-N 116.12 -0.491 . . . . 25.0 111.116 -178.512 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 18.9 m-85 -119.62 69.9 12.56 Favored Pre-proline 0 C--O 1.247 0.95 0 CA-C-O 121.05 0.452 . . . . 25.0 110.875 -178.045 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 69.0 Cg_endo -70.08 141.84 44.97 Favored 'Trans proline' 0 C--O 1.212 -0.791 0 C-N-CA 116.393 -1.938 . . . . 25.0 112.862 -178.38 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 81.32 -9.47 54.37 Favored Glycine 0 CA--C 1.526 0.75 0 N-CA-C 114.931 0.733 . . . . 25.0 114.931 -179.01 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -111.35 83.49 1.78 Allowed 'General case' 0 CA--C 1.512 -0.518 0 O-C-N 121.695 -0.885 . . . . 25.0 110.866 -175.508 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 59.0 t80 -54.05 -47.52 71.55 Favored 'General case' 0 N--CA 1.466 0.327 0 N-CA-C 112.048 0.388 . . . . 25.0 112.048 -178.54 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -58.12 -44.87 87.96 Favored 'General case' 0 C--O 1.247 0.923 0 O-C-N 121.807 -0.558 . . . . 25.0 111.947 -176.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 91.1 mt-30 -69.98 -36.95 75.59 Favored 'General case' 0 CA--C 1.503 -0.861 0 CA-C-N 116.334 -0.394 . . . . 25.0 111.048 -177.269 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 70.5 mt-30 -59.37 -37.26 77.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.967 -0.561 . . . . 25.0 110.303 177.632 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 28.5 mm-40 -70.59 -39.68 73.71 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.254 0.549 . . . . 25.0 109.937 -176.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 77.0 mt -62.25 -43.36 97.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.326 -0.397 . . . . 25.0 109.99 177.735 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 36.8 tp -63.21 -45.96 89.24 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.089 -0.505 . . . . 25.0 111.059 -177.696 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 64.1 mt -59.03 -40.65 81.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.463 -0.335 . . . . 25.0 111.515 178.185 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 35.6 mtp180 -62.23 -42.77 99.61 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 120.265 -0.574 . . . . 25.0 109.645 178.798 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 62.0 tt0 -59.97 -42.43 94.11 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-O 121.032 0.444 . . . . 25.0 110.486 179.051 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 51.1 mt -64.23 -42.92 96.34 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.35 -0.386 . . . . 25.0 110.101 179.677 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -71.31 -39.1 71.66 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 113.26 0.837 . . . . 25.0 113.26 -178.445 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -68.53 -38.32 80.75 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.844 0.354 . . . . 25.0 110.797 179.576 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 19.5 mm100 -66.04 -42.96 88.86 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-O 121.072 0.463 . . . . 25.0 110.251 172.815 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 25.1 t60 -62.87 -28.22 69.89 Favored 'General case' 0 C--N 1.328 -0.36 0 O-C-N 122.128 -0.357 . . . . 25.0 110.88 179.31 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 59.9 t80 -58.12 -42.7 86.36 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 121.784 -0.573 . . . . 25.0 110.956 -179.417 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 93.0 mm-40 -66.28 -41.81 89.3 Favored 'General case' 0 C--O 1.251 1.18 0 N-CA-C 109.502 -0.555 . . . . 25.0 109.502 -179.405 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 37.7 tt0 -62.26 -41.91 98.86 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 121.081 0.467 . . . . 25.0 110.76 178.699 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 56.7 t80 -66.53 -38.98 88.32 Favored 'General case' 0 C--O 1.217 -0.611 0 CA-C-N 116.141 -0.481 . . . . 25.0 111.753 179.495 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.59 -37.21 86.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 121.996 -0.44 . . . . 25.0 110.902 178.549 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 40.7 tt0 -71.1 -40.59 71.42 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.774 -0.37 . . . . 25.0 110.144 176.531 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 60.1 tt0 -59.28 -43.83 92.5 Favored 'General case' 0 C--N 1.32 -0.678 0 O-C-N 122.538 -0.101 . . . . 25.0 110.895 179.562 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 65.2 mt -58.53 -31.88 68.35 Favored 'General case' 0 CA--C 1.538 0.514 0 N-CA-C 113.076 0.769 . . . . 25.0 113.076 -179.337 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -69.34 -38.32 78.11 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.038 0.446 . . . . 25.0 111.465 176.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -70.37 -36.89 74.41 Favored 'General case' 0 C--O 1.21 -1.022 0 N-CA-C 109.256 -0.646 . . . . 25.0 109.256 178.706 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 76.5 t -67.55 -39.79 83.05 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 O-C-N 122.125 -0.36 . . . . 25.0 110.078 177.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.3 mm-40 -57.59 -52.51 65.12 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.28 0.562 . . . . 25.0 110.49 177.151 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.3 pp -70.04 -29.11 66.07 Favored 'General case' 0 C--N 1.329 -0.291 0 O-C-N 122.162 -0.336 . . . . 25.0 111.531 -177.023 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.18 -41.52 88.64 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.176 0.512 . . . . 25.0 110.408 178.452 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 63.4 mt-30 -65.97 -35.16 79.84 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.569 -0.453 . . . . 25.0 110.248 -178.429 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 73.8 mm-40 -66.06 -50.81 62.83 Favored 'General case' 0 CA--C 1.514 -0.433 0 CA-C-O 121.229 0.537 . . . . 25.0 110.088 -179.496 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 16.5 pt20 -67.68 -27.61 66.98 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 113.041 0.756 . . . . 25.0 113.041 -177.239 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.57 -34.42 78.22 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.893 0.378 . . . . 25.0 111.116 178.332 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -87.05 -23.09 25.07 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.313 -0.403 . . . . 25.0 111.63 -179.52 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 57.1 mt -90.46 -48.54 7.04 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.273 0.472 . . . . 25.0 112.273 -176.085 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 50.26 24.92 1.62 Allowed 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 123.808 0.843 . . . . 25.0 113.099 -177.682 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 24.7 ttpt -95.37 39.19 1.12 Allowed 'General case' 0 CA--C 1.535 0.401 0 O-C-N 121.415 -0.803 . . . . 25.0 112.718 -174.337 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -85.61 58.81 5.25 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-O 122.798 1.285 . . . . 25.0 110.841 179.076 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 25.7 pt20 . . . . . 0 C--O 1.209 -1.063 0 CA-C-O 123.535 1.636 . . . . 25.0 111.609 -177.968 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.7 ttt . . . . . 0 N--CA 1.483 1.221 0 CA-C-O 124.663 2.173 . . . . 25.0 113.144 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 32.0 tt0 -128.78 159.31 36.1 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 113.694 -1.593 . . . . 25.0 110.051 -178.404 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 22.9 tt0 59.68 22.73 11.5 Favored 'General case' 0 N--CA 1.483 1.188 0 CA-C-O 122.75 1.262 . . . . 25.0 114.206 -178.548 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 25.7 mtpp -81.5 -31.72 32.74 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 115.15 1.537 . . . . 25.0 115.15 -178.435 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 65.7 mt-30 -65.71 -24.42 66.98 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 113.82 1.044 . . . . 25.0 113.82 -176.153 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 -61.21 -42.61 98.89 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.963 0.887 . . . . 25.0 109.179 177.689 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 28.7 mt -70.52 -40.21 77.08 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.492 0 CA-C-N 115.062 -0.972 . . . . 25.0 109.141 -178.514 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 87.3 mtp -59.28 -52.93 63.52 Favored 'General case' 0 C--O 1.22 -0.485 0 CA-C-N 116.372 -0.376 . . . . 25.0 110.533 179.136 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.33 -39.23 86.31 Favored 'General case' 0 C--N 1.322 -0.616 0 O-C-N 123.279 0.362 . . . . 25.0 111.365 -178.029 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.56 -44.82 96.34 Favored 'General case' 0 C--N 1.322 -0.618 0 C-N-CA 120.394 -0.522 . . . . 25.0 110.154 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 91.9 mt -71.29 -41.1 70.39 Favored 'General case' 0 C--O 1.22 -0.449 0 CA-C-O 120.707 0.289 . . . . 25.0 111.161 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -63.9 -31.33 72.47 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 116.67 -0.241 . . . . 25.0 111.569 -175.61 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 50.8 m -63.65 -34.56 78.11 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.229 0.538 . . . . 25.0 110.334 -179.402 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 11.5 mm100 -74.76 -20.6 59.75 Favored 'General case' 0 N--CA 1.468 0.433 0 N-CA-C 112.606 0.595 . . . . 25.0 112.606 -179.616 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 66.8 p -114.2 3.27 15.11 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 113.67 0.989 . . . . 25.0 113.67 -174.665 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -54.35 -63.58 1.11 Allowed 'General case' 0 C--O 1.246 0.907 0 N-CA-C 112.939 0.718 . . . . 25.0 112.939 -173.744 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.9 p -72.03 -24.8 22.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 121.425 0.631 . . . . 25.0 111.324 -177.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -61.16 -47.43 86.21 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.737 0.78 . . . . 25.0 110.36 177.81 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 -69.06 -32.15 71.42 Favored 'General case' 0 N--CA 1.439 -1.006 0 CA-C-N 115.951 -0.568 . . . . 25.0 111.419 176.64 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.467 ' HA ' HD11 ' A' ' 38' ' ' ILE . 40.6 tt0 -64.11 -39.16 93.45 Favored 'General case' 0 CA--C 1.533 0.293 0 O-C-N 122.135 -0.353 . . . . 25.0 111.319 -179.249 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 81.5 mt-30 -64.73 -44.39 90.33 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.794 -0.184 . . . . 25.0 110.544 176.852 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 91.1 t80 -65.41 -39.91 92.73 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.233 0.539 . . . . 25.0 110.876 178.831 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.37 -35.36 78.92 Favored 'General case' 0 C--N 1.322 -0.605 0 O-C-N 121.525 -0.734 . . . . 25.0 111.17 179.642 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.33 -28.12 67.71 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 122.105 -0.372 . . . . 25.0 111.625 177.394 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 26.3 tt0 -76.2 -26.06 55.78 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 121.371 0.605 . . . . 25.0 110.831 179.137 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 80.6 mm-40 -90.42 -49.2 6.65 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.579 -0.737 . . . . 25.0 112.46 -177.105 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -122.71 71.87 40.56 Favored Pre-proline 0 C--N 1.331 -0.228 0 CA-C-N 115.882 -0.599 . . . . 25.0 110.248 -177.834 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_endo -70.55 135.59 28.92 Favored 'Trans proline' 0 CA--C 1.532 0.388 0 C-N-CA 116.58 -1.813 . . . . 25.0 112.945 -178.181 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 83.53 -10.94 57.97 Favored Glycine 0 CA--C 1.528 0.893 0 N-CA-C 115.099 0.799 . . . . 25.0 115.099 -178.64 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 21.7 m120 -108.27 86.86 2.37 Favored 'General case' 0 C--O 1.223 -0.291 0 CA-C-N 117.839 0.819 . . . . 25.0 110.617 -178.262 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 71.6 t80 -55.98 -46.67 78.59 Favored 'General case' 0 C--O 1.21 -1.0 0 N-CA-C 112.887 0.699 . . . . 25.0 112.887 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -60.5 -44.11 96.32 Favored 'General case' 0 CA--C 1.541 0.617 0 O-C-N 121.403 -0.811 . . . . 25.0 111.338 -178.512 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -70.22 -34.77 73.3 Favored 'General case' 0 CA--C 1.507 -0.691 0 O-C-N 121.805 -0.559 . . . . 25.0 110.543 -176.734 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 73.0 mt-30 -60.04 -38.19 82.03 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 108.845 -0.798 . . . . 25.0 108.845 174.807 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 76.4 mm-40 -72.09 -38.74 69.31 Favored 'General case' 0 C--O 1.24 0.602 0 N-CA-C 109.283 -0.636 . . . . 25.0 109.283 -174.801 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 82.1 mt -62.28 -43.11 97.65 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.255 0 N-CA-C 108.528 -0.915 . . . . 25.0 108.528 -179.735 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 51.5 tp -63.21 -48.74 77.03 Favored 'General case' 0 C--O 1.215 -0.712 0 C-N-CA 120.75 -0.38 . . . . 25.0 111.248 179.024 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.467 HD11 ' HA ' ' A' ' 20' ' ' GLN . 67.2 mt -56.79 -37.34 53.01 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 O-C-N 122.024 -0.423 . . . . 25.0 111.656 179.737 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 34.6 mmt180 -61.83 -48.46 80.48 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 121.884 -0.51 . . . . 25.0 109.924 176.758 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 49.3 tt0 -60.18 -43.59 95.74 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.367 -0.379 . . . . 25.0 110.663 -179.067 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 72.1 mt -65.04 -36.98 86.1 Favored 'General case' 0 CA--C 1.544 0.74 0 N-CA-C 112.325 0.491 . . . . 25.0 112.325 -178.699 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -63.99 -42.71 97.1 Favored 'General case' 0 C--N 1.322 -0.627 0 O-C-N 121.919 -0.488 . . . . 25.0 110.192 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 90.2 mt-10 -73.99 -36.74 64.54 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.745 0.307 . . . . 25.0 110.856 179.818 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 42.5 tt0 -60.51 -43.34 97.2 Favored 'General case' 0 C--N 1.319 -0.75 0 O-C-N 121.557 -0.714 . . . . 25.0 111.67 176.213 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 9.1 t-80 -65.21 -31.86 73.24 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.692 0.758 . . . . 25.0 110.344 179.465 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 44.0 t80 -72.19 -40.22 68.06 Favored 'General case' 0 C--N 1.314 -0.937 0 O-C-N 121.864 -0.523 . . . . 25.0 110.993 176.859 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -61.53 -38.05 85.99 Favored 'General case' 0 C--N 1.327 -0.394 0 O-C-N 121.632 -0.667 . . . . 25.0 111.262 175.801 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -61.41 -45.35 94.69 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-O 121.454 0.645 . . . . 25.0 110.088 176.658 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 49.4 t80 -63.31 -36.49 83.87 Favored 'General case' 0 CA--C 1.547 0.846 0 O-C-N 121.595 -0.691 . . . . 25.0 110.891 177.719 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.18 -35.11 75.92 Favored 'General case' 0 C--N 1.32 -0.678 0 O-C-N 121.704 -0.623 . . . . 25.0 111.813 178.803 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 16.1 tm0? -69.63 -40.22 76.67 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 108.904 -0.776 . . . . 25.0 108.904 -178.784 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 6.5 tp60 -61.21 -47.85 84.2 Favored 'General case' 0 C--O 1.222 -0.352 0 N-CA-C 109.149 -0.685 . . . . 25.0 109.149 176.234 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 21.4 mt -65.76 -26.72 67.84 Favored 'General case' 0 C--O 1.21 -0.974 0 O-C-N 122.197 -0.314 . . . . 25.0 111.833 -179.01 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -67.14 -37.28 83.55 Favored 'General case' 0 C--N 1.315 -0.932 0 N-CA-C 109.713 -0.477 . . . . 25.0 109.713 177.22 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -72.53 -33.86 67.15 Favored 'General case' 0 C--O 1.238 0.49 0 N-CA-C 109.587 -0.523 . . . . 25.0 109.587 177.274 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 83.4 t -68.8 -36.22 73.21 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 CA-C-O 120.981 0.419 . . . . 25.0 111.231 176.841 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 10.6 mm-40 -60.35 -47.01 87.87 Favored 'General case' 0 C--O 1.221 -0.418 0 N-CA-C 109.083 -0.71 . . . . 25.0 109.083 175.153 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 67.0 mt -65.29 -33.75 76.73 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.931 -0.577 . . . . 25.0 111.49 178.65 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.93 -43.88 94.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 122.151 -0.343 . . . . 25.0 110.286 178.391 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -67.24 -34.53 77.64 Favored 'General case' 0 N--CA 1.449 -0.522 0 C-N-CA 120.123 -0.631 . . . . 25.0 110.554 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -61.73 -45.72 92.74 Favored 'General case' 0 C--O 1.212 -0.877 0 O-C-N 122.16 -0.338 . . . . 25.0 110.279 175.818 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 15.4 mt-30 -67.18 -34.55 77.77 Favored 'General case' 0 CA--C 1.513 -0.454 0 O-C-N 121.949 -0.469 . . . . 25.0 111.438 179.219 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.89 -30.79 71.81 Favored 'General case' 0 C--O 1.211 -0.957 0 N-CA-C 112.231 0.456 . . . . 25.0 112.231 177.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -80.14 -35.73 36.21 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.107 0.48 . . . . 25.0 110.927 177.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 57.5 mt -74.73 -41.28 60.42 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.089 -0.505 . . . . 25.0 111.505 -176.575 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 48.79 38.85 12.7 Favored 'General case' 0 N--CA 1.476 0.848 0 O-C-N 124.606 1.191 . . . . 25.0 111.247 -176.284 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 29.2 ttmt -118.92 26.78 9.29 Favored 'General case' 0 CA--C 1.514 -0.43 0 CA-C-O 122.392 1.091 . . . . 25.0 110.491 -177.068 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 7.9 tp-100 -118.93 98.2 6.07 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 114.77 -1.104 . . . . 25.0 108.879 -178.326 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 . . . . . 0 CA--C 1.565 1.52 0 CA-C-O 125.797 2.713 . . . . 25.0 114.066 -178.181 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.8 mpt? . . . . . 0 N--CA 1.482 1.16 0 CA-C-O 123.195 1.474 . . . . 25.0 113.549 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 25.7 mp0 -80.75 71.92 7.69 Favored 'General case' 0 C--N 1.351 0.631 0 CA-C-O 122.271 1.034 . . . . 25.0 108.896 179.319 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 95.0 mm-40 -116.82 168.01 10.59 Favored 'General case' 0 N--CA 1.475 0.812 0 O-C-N 120.499 -1.375 . . . . 25.0 111.566 -179.705 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 66.2 mttm 62.71 -44.21 0.19 Allowed 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 116.277 1.954 . . . . 25.0 116.277 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 57.4 mt-30 -67.22 -22.65 65.69 Favored 'General case' 0 C--O 1.212 -0.886 0 N-CA-C 109.41 -0.589 . . . . 25.0 109.41 175.044 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 98.2 mm-40 -61.02 -45.45 94.75 Favored 'General case' 0 C--O 1.207 -1.179 0 CA-C-N 115.658 -0.701 . . . . 25.0 111.566 170.772 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 56.8 mt -65.32 -43.64 94.95 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 N-CA-C 108.603 -0.888 . . . . 25.0 108.603 178.673 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 65.8 mtp -60.33 -38.58 84.2 Favored 'General case' 0 C--O 1.207 -1.157 0 CA-C-O 119.094 -0.479 . . . . 25.0 111.925 177.865 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.24 -40.79 90.47 Favored 'General case' 0 CA--C 1.512 -0.485 0 CA-C-N 118.313 0.506 . . . . 25.0 110.432 179.715 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.22 -34.27 75.94 Favored 'General case' 0 CA--C 1.555 1.159 0 CA-C-O 121.631 0.729 . . . . 25.0 110.355 179.574 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 57.7 mt -72.52 -43.97 62.83 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.833 -0.621 . . . . 25.0 112.635 178.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 -58.57 -36.59 74.19 Favored 'General case' 0 CA--C 1.506 -0.723 0 N-CA-C 109.585 -0.524 . . . . 25.0 109.585 179.802 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 70.3 m -61.17 -29.06 69.57 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 115.461 -0.79 . . . . 25.0 112.133 -178.172 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -83.06 -27.58 30.17 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.788 0.804 . . . . 25.0 110.583 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 69.1 p -102.22 -8.21 21.5 Favored 'General case' 0 C--O 1.214 -0.789 0 N-CA-C 113.912 1.079 . . . . 25.0 113.912 -170.556 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -49.57 -70.59 0.08 Allowed 'General case' 0 CA--C 1.548 0.887 0 N-CA-C 115.198 1.555 . . . . 25.0 115.198 -173.363 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.3 p -69.4 -23.68 26.74 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.316 0 CA-C-O 121.874 0.845 . . . . 25.0 110.563 -179.707 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 39.2 tt0 -66.26 -49.51 66.9 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-O 121.649 0.737 . . . . 25.0 110.371 -178.807 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 13.9 m-30 -79.47 -23.01 43.34 Favored 'General case' 0 CA--C 1.51 -0.562 0 CA-C-N 115.806 -0.634 . . . . 25.0 111.451 -177.172 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -60.85 -36.84 80.17 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 123.708 0.63 . . . . 25.0 111.825 176.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 -71.42 -36.9 71.47 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.544 -0.723 . . . . 25.0 110.633 -177.07 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 77.0 t80 -69.53 -36.65 76.59 Favored 'General case' 0 C--N 1.329 -0.323 0 O-C-N 123.959 0.787 . . . . 25.0 110.486 173.222 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.54 -36.71 83.33 Favored 'General case' 0 C--O 1.239 0.552 0 C-N-CA 120.126 -0.63 . . . . 25.0 109.597 -179.646 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.38 -20.37 62.15 Favored 'General case' 0 C--O 1.211 -0.93 0 O-C-N 121.727 -0.608 . . . . 25.0 111.22 177.878 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 16.2 tt0 -79.08 -22.47 45.25 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 120.979 0.419 . . . . 25.0 111.854 178.225 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -97.15 -44.81 6.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.199 -0.909 . . . . 25.0 113.245 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 29.5 m-85 -125.27 71.39 64.06 Favored Pre-proline 0 C--O 1.249 1.048 0 O-C-N 124.41 1.069 . . . . 25.0 111.74 179.16 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_endo -71.43 139.39 34.54 Favored 'Trans proline' 0 C--O 1.194 -1.711 0 C-N-CA 115.195 -2.737 . . . . 25.0 111.402 179.716 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 81.39 0.2 88.72 Favored Glycine 0 N--CA 1.466 0.695 0 C-N-CA 119.927 -1.13 . . . . 25.0 115.614 -179.037 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 27.4 m120 -121.4 87.03 2.68 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 117.997 0.898 . . . . 25.0 111.694 -177.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 48.5 t80 -54.37 -45.2 72.75 Favored 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 112.896 0.702 . . . . 25.0 112.896 177.607 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -61.19 -47.8 84.46 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 118.102 0.41 . . . . 25.0 111.5 -179.599 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 91.4 mm-40 -66.87 -34.58 78.11 Favored 'General case' 0 CA--C 1.513 -0.455 0 CA-C-O 121.784 0.802 . . . . 25.0 111.122 -178.191 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -61.28 -36.08 79.06 Favored 'General case' 0 CA--C 1.505 -0.757 0 N-CA-C 108.943 -0.762 . . . . 25.0 108.943 176.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 93.0 mm-40 -75.54 -35.06 60.77 Favored 'General case' 0 C--O 1.249 1.03 0 C-N-CA 120.207 -0.597 . . . . 25.0 111.135 -176.677 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 86.5 mt -61.3 -47.13 94.88 Favored 'Isoleucine or valine' 0 C--O 1.239 0.551 0 N-CA-C 108.062 -1.088 . . . . 25.0 108.062 179.176 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 24.5 tp -65.15 -47.94 75.28 Favored 'General case' 0 C--O 1.221 -0.435 0 CA-C-N 115.714 -0.675 . . . . 25.0 111.318 -177.017 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 61.0 mt -58.43 -40.63 79.11 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 CA-C-O 120.887 0.375 . . . . 25.0 111.73 -179.266 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 65.3 mtp180 -59.23 -44.92 92.31 Favored 'General case' 0 N--CA 1.476 0.84 0 O-C-N 121.769 -0.582 . . . . 25.0 110.483 178.704 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 30.7 tp60 -62.47 -43.31 99.13 Favored 'General case' 0 N--CA 1.45 -0.47 0 O-C-N 123.229 0.331 . . . . 25.0 111.6 178.796 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 19.3 mt -63.25 -42.02 99.14 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.224 -0.658 . . . . 25.0 109.224 -176.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -66.24 -39.35 89.47 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 121.996 -0.44 . . . . 25.0 112.084 -176.622 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 85.6 mt-10 -68.73 -32.86 72.94 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-O 121.727 0.775 . . . . 25.0 110.217 177.713 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 33.8 tt0 -70.22 -40.67 74.37 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.195 -0.457 . . . . 25.0 110.667 -179.41 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 35.2 m80 -70.0 -19.56 63.33 Favored 'General case' 0 N--CA 1.478 0.95 0 O-C-N 122.097 -0.377 . . . . 25.0 111.707 177.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 60.8 t80 -58.53 -36.39 73.79 Favored 'General case' 0 C--N 1.313 -1.001 0 C-N-CA 121.091 -0.244 . . . . 25.0 111.434 177.105 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -64.03 -38.91 92.81 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 111.972 0.36 . . . . 25.0 111.972 179.448 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 45.6 tt0 -65.39 -41.35 93.78 Favored 'General case' 0 CA--C 1.512 -0.51 0 CA-C-O 121.612 0.72 . . . . 25.0 109.114 -178.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 40.0 t80 -64.2 -43.22 95.72 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.811 0.815 . . . . 25.0 110.604 178.74 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.25 -40.62 97.95 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.144 -0.935 . . . . 25.0 111.603 -179.856 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 56.6 tt0 -62.07 -41.79 98.53 Favored 'General case' 0 C--N 1.322 -0.609 0 O-C-N 121.878 -0.514 . . . . 25.0 111.428 175.587 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 64.9 tp60 -63.96 -41.02 97.69 Favored 'General case' 0 N--CA 1.451 -0.385 0 N-CA-C 110.014 -0.365 . . . . 25.0 110.014 179.783 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 73.4 mt -63.79 -27.63 69.32 Favored 'General case' 0 C--O 1.211 -0.924 0 N-CA-C 112.625 0.602 . . . . 25.0 112.625 177.605 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -70.55 -37.72 74.07 Favored 'General case' 0 C--N 1.318 -0.782 0 C-N-CA 120.046 -0.662 . . . . 25.0 109.987 177.52 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 50.2 mt-30 -69.06 -37.8 78.71 Favored 'General case' 0 C--N 1.321 -0.667 0 O-C-N 121.466 -0.771 . . . . 25.0 110.297 176.028 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 94.9 t -68.2 -35.57 71.81 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.394 0 CA-C-N 116.439 -0.346 . . . . 25.0 111.041 178.765 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -58.82 -47.25 85.47 Favored 'General case' 0 C--N 1.328 -0.356 0 O-C-N 121.508 -0.745 . . . . 25.0 111.082 172.035 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 86.2 mt -61.74 -37.05 82.78 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 120.696 -0.402 . . . . 25.0 111.848 176.359 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.49 -36.58 78.66 Favored 'General case' 0 C--N 1.32 -0.705 0 O-C-N 121.98 -0.45 . . . . 25.0 111.076 177.112 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 56.6 mt-30 -68.87 -41.56 78.21 Favored 'General case' 0 N--CA 1.472 0.629 0 O-C-N 121.843 -0.535 . . . . 25.0 110.705 176.065 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 36.1 mm-40 -59.49 -43.8 93.22 Favored 'General case' 0 C--O 1.211 -0.958 0 N-CA-C 108.587 -0.894 . . . . 25.0 108.587 -179.534 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 4.8 mm-40 -69.05 -30.45 68.79 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-O 121.203 0.525 . . . . 25.0 112.383 -178.284 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -70.36 -22.63 62.75 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.128 -0.487 . . . . 25.0 110.341 179.298 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -85.14 -23.56 28.36 Favored 'General case' 0 N--CA 1.476 0.83 0 N-CA-C 112.624 0.601 . . . . 25.0 112.624 174.866 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 83.7 mt -88.3 -39.02 14.7 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 121.759 -0.588 . . . . 25.0 111.754 -178.309 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 52.05 36.44 18.79 Favored 'General case' 0 C--O 1.207 -1.134 0 N-CA-C 115.166 1.543 . . . . 25.0 115.166 178.005 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 59.7 tttm -142.91 118.55 10.43 Favored 'General case' 0 C--O 1.214 -0.774 0 N-CA-C 109.832 -0.432 . . . . 25.0 109.832 177.08 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 42.36 80.71 0.03 OUTLIER 'General case' 0 CA--C 1.548 0.878 0 N-CA-C 115.113 1.523 . . . . 25.0 115.113 179.731 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 . . . . . 0 C--O 1.203 -1.391 0 CA-C-O 124.349 2.023 . . . . 25.0 110.257 172.197 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.8 ttm . . . . . 0 N--CA 1.492 1.636 0 CA-C-O 123.971 1.843 . . . . 25.0 113.39 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -73.92 151.11 40.47 Favored 'General case' 0 N--CA 1.433 -1.287 0 O-C-N 120.291 -1.506 . . . . 25.0 113.067 179.348 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 7.0 mp0 -69.19 47.48 0.07 Allowed 'General case' 0 CA--C 1.554 1.124 0 N-CA-C 115.392 1.627 . . . . 25.0 115.392 -179.062 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -61.46 -36.0 79.21 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 112.874 0.694 . . . . 25.0 112.874 -178.378 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.41 -29.07 69.7 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 112.926 0.713 . . . . 25.0 112.926 -176.084 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 94.4 mm-40 -63.64 -41.34 98.25 Favored 'General case' 0 N--CA 1.456 -0.144 0 CA-C-O 122.06 0.934 . . . . 25.0 110.109 178.056 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 28.5 mt -69.78 -39.64 78.14 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.885 0 CA-C-N 114.564 -1.198 . . . . 25.0 109.015 -178.21 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 92.7 mtp -62.54 -42.2 99.38 Favored 'General case' 0 C--N 1.309 -1.168 0 N-CA-C 111.982 0.364 . . . . 25.0 111.982 176.736 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.22 -41.95 89.85 Favored 'General case' 0 C--O 1.223 -0.304 0 CA-C-O 121.245 0.545 . . . . 25.0 110.774 179.453 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.52 -46.9 83.93 Favored 'General case' 0 CA--C 1.548 0.896 0 CA-C-O 121.663 0.744 . . . . 25.0 110.17 -178.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 58.0 mt -67.85 -36.59 80.58 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.523 0.678 . . . . 25.0 110.464 -177.654 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 63.7 m-20 -63.15 -36.3 83.17 Favored 'General case' 0 CA--C 1.508 -0.653 0 CA-C-N 116.096 -0.502 . . . . 25.0 111.503 178.718 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 42.4 t -63.21 -40.77 98.43 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 123.074 0.234 . . . . 25.0 110.822 179.088 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 89.3 mm-40 -76.22 -24.07 54.62 Favored 'General case' 0 C--N 1.332 -0.163 0 N-CA-C 112.329 0.492 . . . . 25.0 112.329 -175.866 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 38.4 p -104.37 -8.29 19.31 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 113.294 0.85 . . . . 25.0 113.294 -173.193 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -49.92 -63.57 1.07 Allowed 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 113.458 0.91 . . . . 25.0 113.458 -174.668 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 8.3 p -68.72 -32.18 53.88 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 O-C-N 121.292 -0.88 . . . . 25.0 111.599 -175.84 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 66.2 tt0 -64.48 -45.15 88.57 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 121.096 0.474 . . . . 25.0 109.993 -179.698 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 16.2 m-30 -75.34 -28.45 59.6 Favored 'General case' 0 C--O 1.212 -0.897 0 CA-C-N 115.674 -0.694 . . . . 25.0 110.275 179.246 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.424 ' HA ' HD11 ' A' ' 38' ' ' ILE . 39.2 tt0 -62.26 -43.61 98.44 Favored 'General case' 0 C--N 1.323 -0.582 0 O-C-N 121.404 -0.81 . . . . 25.0 112.577 178.68 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -61.79 -42.17 98.66 Favored 'General case' 0 C--O 1.239 0.549 0 N-CA-C 109.303 -0.629 . . . . 25.0 109.303 178.283 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 83.8 t80 -66.67 -44.19 82.48 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 111.91 0.337 . . . . 25.0 111.91 176.802 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.428 ' HA ' HD23 ' A' ' 37' ' ' LEU . . . -60.66 -38.09 83.7 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-O 121.148 0.499 . . . . 25.0 111.72 -177.629 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.17 -28.39 69.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.811 -0.632 . . . . 25.0 109.414 179.532 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -79.37 -19.26 50.59 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.814 -0.175 . . . . 25.0 110.746 -178.647 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 94.2 mm-40 -96.95 -44.87 6.83 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 122.134 -0.354 . . . . 25.0 111.883 -179.251 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -121.54 73.62 31.5 Favored Pre-proline 0 C--O 1.25 1.092 0 N-CA-C 108.677 -0.86 . . . . 25.0 108.677 178.865 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -68.59 137.39 38.95 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 116.475 -1.883 . . . . 25.0 113.741 -174.856 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 83.37 -21.63 8.39 Favored Glycine 0 N--CA 1.446 -0.644 0 N-CA-C 115.322 0.889 . . . . 25.0 115.322 -177.759 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 22.9 m120 -94.74 85.42 4.45 Favored 'General case' 0 N--CA 1.471 0.623 0 O-C-N 121.436 -1.038 . . . . 25.0 111.371 -175.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 64.2 t80 -54.44 -43.76 71.9 Favored 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 112.801 0.667 . . . . 25.0 112.801 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 20.4 pt-20 -61.26 -46.45 90.3 Favored 'General case' 0 C--O 1.206 -1.237 0 O-C-N 122.078 -0.389 . . . . 25.0 112.029 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 87.3 mm-40 -67.84 -35.71 79.06 Favored 'General case' 0 CA--C 1.509 -0.612 0 CA-C-O 121.701 0.762 . . . . 25.0 111.949 179.413 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 56.1 mt-30 -59.68 -38.98 82.99 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.63 -0.714 . . . . 25.0 110.232 177.44 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 79.6 mm-40 -71.33 -39.16 71.55 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-O 121.798 0.809 . . . . 25.0 110.743 -178.245 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 73.5 mt -62.71 -42.54 96.54 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.587 0 N-CA-C 108.302 -0.999 . . . . 25.0 108.302 178.322 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.428 HD23 ' HA ' ' A' ' 23' ' ' ALA . 37.2 tp -64.24 -47.77 78.36 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.124 0.487 . . . . 25.0 111.339 -178.238 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.424 HD11 ' HA ' ' A' ' 20' ' ' GLN . 59.9 mt -57.28 -42.91 81.11 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.003 0 O-C-N 121.467 -0.771 . . . . 25.0 109.893 178.253 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 7.9 tmm_? -62.02 -41.95 98.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 118.856 -0.592 . . . . 25.0 109.957 178.546 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -64.7 -41.11 96.26 Favored 'General case' 0 C--N 1.311 -1.079 0 CA-C-N 118.395 0.543 . . . . 25.0 110.716 178.486 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 78.3 mt -65.26 -37.4 87.1 Favored 'General case' 0 C--N 1.349 0.577 0 CA-C-O 120.95 0.405 . . . . 25.0 111.834 179.521 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -68.4 -41.57 80.29 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.566 -0.288 . . . . 25.0 110.406 179.433 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -70.52 -32.5 70.0 Favored 'General case' 0 N--CA 1.482 1.143 0 O-C-N 120.607 -1.308 . . . . 25.0 111.267 177.304 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 54.6 tt0 -59.17 -48.7 80.63 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-O 122.26 1.029 . . . . 25.0 109.874 175.045 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 73.6 m80 -73.21 -27.14 61.45 Favored 'General case' 0 C--O 1.25 1.117 0 O-C-N 121.372 -0.83 . . . . 25.0 111.708 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 32.1 t80 -65.88 -36.45 83.45 Favored 'General case' 0 N--CA 1.45 -0.468 0 C-N-CA 119.776 -0.77 . . . . 25.0 110.023 176.819 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 55.5 mt-30 -64.63 -39.07 93.05 Favored 'General case' 0 N--CA 1.475 0.782 0 N-CA-C 110.104 -0.332 . . . . 25.0 110.104 176.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 47.8 tt0 -62.46 -46.71 87.25 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-O 121.213 0.53 . . . . 25.0 110.459 177.444 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 38.2 t80 -64.48 -38.23 90.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.023 -0.535 . . . . 25.0 110.933 -178.625 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.38 -38.97 81.86 Favored 'General case' 0 N--CA 1.44 -0.942 0 O-C-N 121.986 -0.446 . . . . 25.0 111.75 178.824 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 82.5 mm-40 -71.42 -34.92 70.75 Favored 'General case' 0 N--CA 1.473 0.718 0 O-C-N 121.639 -0.663 . . . . 25.0 110.932 176.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -60.23 -46.33 90.13 Favored 'General case' 0 C--N 1.32 -0.714 0 C-N-CA 120.603 -0.439 . . . . 25.0 110.092 174.105 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 46.6 mt -64.69 -30.21 71.22 Favored 'General case' 0 C--N 1.314 -0.96 0 O-C-N 123.186 0.304 . . . . 25.0 111.813 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -64.67 -37.98 89.43 Favored 'General case' 0 C--N 1.308 -1.223 0 N-CA-C 108.987 -0.746 . . . . 25.0 108.987 178.84 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -71.54 -34.53 70.1 Favored 'General case' 0 C--N 1.317 -0.817 0 O-C-N 121.751 -0.593 . . . . 25.0 110.776 176.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 88.0 t -67.09 -35.93 75.69 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.975 0 CA-C-O 122.151 0.977 . . . . 25.0 108.666 177.758 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -60.99 -46.11 92.08 Favored 'General case' 0 C--O 1.205 -1.256 0 O-C-N 120.953 -1.092 . . . . 25.0 110.403 175.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 89.2 mt -65.06 -34.77 79.21 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-O 120.751 0.31 . . . . 25.0 111.416 179.305 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.08 -43.47 98.76 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.97 -0.559 . . . . 25.0 109.565 178.276 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -72.75 -32.75 65.89 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 120.324 -0.55 . . . . 25.0 110.419 179.279 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 4.1 mm-40 -61.35 -44.04 97.85 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 120.221 -0.591 . . . . 25.0 110.832 178.534 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -74.63 -24.32 58.83 Favored 'General case' 0 N--CA 1.448 -0.571 0 C-N-CA 120.508 -0.477 . . . . 25.0 111.645 -179.112 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.1 -34.79 78.35 Favored 'General case' 0 N--CA 1.47 0.557 0 O-C-N 123.695 0.622 . . . . 25.0 110.328 174.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -82.47 -37.94 24.64 Favored 'General case' 0 CA--C 1.547 0.865 0 CA-C-O 121.762 0.791 . . . . 25.0 111.006 178.262 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 57.2 mt -73.35 -34.36 65.57 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 115.818 -0.628 . . . . 25.0 110.922 -175.252 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 41.34 39.91 1.11 Allowed 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.018 1.327 . . . . 25.0 114.327 -179.279 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 12.4 tppt? -153.29 88.25 1.29 Allowed 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 115.299 -0.864 . . . . 25.0 111.752 -178.39 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 82.0 mt-30 -88.45 56.54 3.84 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-O 121.581 0.705 . . . . 25.0 109.382 174.252 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 . . . . . 0 C--N 1.357 0.913 0 CA-C-O 124.263 1.982 . . . . 25.0 110.501 -176.487 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 75.4 mtm . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 125.15 2.405 . . . . 25.0 111.566 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -88.74 130.96 35.23 Favored 'General case' 0 C--O 1.213 -0.863 0 CA-C-N 113.256 -1.793 . . . . 25.0 111.172 -179.273 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 -131.4 73.82 1.56 Allowed 'General case' 0 CA--C 1.538 0.487 0 CA-C-O 122.373 1.082 . . . . 25.0 109.892 178.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 58.9 mttp -56.97 -33.91 67.56 Favored 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 114.525 1.306 . . . . 25.0 114.525 -176.297 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 9.6 mp0 -63.52 -27.68 69.43 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 112.943 0.72 . . . . 25.0 112.943 -178.698 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -65.53 -40.09 92.51 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-O 121.664 0.745 . . . . 25.0 109.993 176.608 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 55.3 mt -68.13 -39.89 82.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 108.748 -0.834 . . . . 25.0 108.748 -177.654 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 83.3 mtp -65.18 -37.39 87.22 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.808 -0.633 . . . . 25.0 110.571 177.197 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.34 -38.61 88.05 Favored 'General case' 0 N--CA 1.448 -0.564 0 C-N-CA 120.714 -0.394 . . . . 25.0 110.945 178.796 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.45 -44.63 93.95 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 109.921 -0.4 . . . . 25.0 109.921 178.684 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 68.8 mt -66.37 -33.76 76.43 Favored 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 112.202 0.445 . . . . 25.0 112.202 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -55.72 -41.71 74.24 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 122.482 0.313 . . . . 25.0 110.469 178.618 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 18.6 t -65.94 -34.57 78.42 Favored 'General case' 0 C--O 1.22 -0.462 0 CA-C-O 121.218 0.532 . . . . 25.0 111.009 -177.184 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 28.6 mm100 -75.6 -44.74 41.43 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 113.25 0.833 . . . . 25.0 113.25 -177.536 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 34.2 p -86.86 -1.07 57.51 Favored 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 114.545 1.313 . . . . 25.0 114.545 -173.808 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -43.64 -70.37 0.11 Allowed 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 115.331 1.604 . . . . 25.0 115.331 -171.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 5.6 p -74.92 -24.02 17.8 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 O-C-N 121.643 -0.661 . . . . 25.0 111.044 -177.387 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 60.1 tt0 -64.63 -50.07 68.55 Favored 'General case' 0 C--O 1.238 0.448 0 CA-C-O 121.182 0.515 . . . . 25.0 111.021 -178.273 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 13.5 m-30 -76.24 -22.09 55.58 Favored 'General case' 0 N--CA 1.465 0.288 0 C-N-CA 120.595 -0.442 . . . . 25.0 109.956 -178.509 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.487 ' HA ' HD11 ' A' ' 38' ' ' ILE . 26.4 tt0 -62.34 -38.4 89.33 Favored 'General case' 0 C--O 1.222 -0.383 0 O-C-N 122.047 -0.408 . . . . 25.0 111.512 177.22 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 69.3 mt-30 -65.15 -39.18 92.62 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-O 120.974 0.416 . . . . 25.0 110.283 177.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 45.3 t80 -65.18 -43.78 90.6 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.9 -0.778 . . . . 25.0 108.9 177.213 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.44 -37.98 89.41 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 120.466 -0.494 . . . . 25.0 110.032 -176.485 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.49 -26.15 67.04 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 116.625 -0.261 . . . . 25.0 111.563 178.775 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -74.2 -17.0 60.95 Favored 'General case' 0 C--O 1.218 -0.605 0 O-C-N 121.677 -0.64 . . . . 25.0 111.043 177.158 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 88.5 mm-40 -107.02 -47.23 3.74 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.783 0.66 . . . . 25.0 112.783 -175.58 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -121.05 68.67 17.43 Favored Pre-proline 0 C--O 1.243 0.728 0 CA-C-N 116.375 -0.375 . . . . 25.0 110.992 177.577 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -64.84 140.72 68.3 Favored 'Trans proline' 0 CA--C 1.533 0.468 0 C-N-CA 116.377 -1.949 . . . . 25.0 112.516 -177.301 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 82.28 -21.56 7.02 Favored Glycine 0 CA--C 1.507 -0.416 0 N-CA-C 115.55 0.98 . . . . 25.0 115.55 179.584 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 22.7 m120 -96.76 83.07 3.37 Favored 'General case' 0 C--O 1.219 -0.537 0 CA-C-N 117.667 0.733 . . . . 25.0 110.457 -177.625 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 39.7 t80 -53.02 -45.57 68.0 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 112.494 0.553 . . . . 25.0 112.494 -178.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -62.93 -45.43 92.51 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 120.241 -0.584 . . . . 25.0 110.592 -177.353 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 95.3 mm-40 -68.65 -34.6 75.99 Favored 'General case' 0 CA--C 1.504 -0.808 0 O-C-N 121.105 -0.997 . . . . 25.0 110.42 -177.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -58.0 -38.37 76.02 Favored 'General case' 0 N--CA 1.442 -0.841 0 CA-C-O 120.765 0.317 . . . . 25.0 110.163 173.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 94.8 mm-40 -72.83 -37.92 67.29 Favored 'General case' 0 N--CA 1.48 1.055 0 O-C-N 121.925 -0.484 . . . . 25.0 109.911 -177.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 80.1 mt -62.05 -42.76 96.19 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.198 0 N-CA-C 109.938 -0.393 . . . . 25.0 109.938 177.585 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 30.4 tp -64.44 -45.76 86.09 Favored 'General case' 0 C--O 1.216 -0.704 0 CA-C-N 116.839 -0.164 . . . . 25.0 110.749 176.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.487 HD11 ' HA ' ' A' ' 20' ' ' GLN . 63.1 mt -58.67 -38.6 72.56 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 N-CA-C 109.589 -0.523 . . . . 25.0 109.589 178.827 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.6 tmt_? -58.89 -44.41 91.15 Favored 'General case' 0 C--O 1.24 0.576 0 N-CA-C 109.178 -0.675 . . . . 25.0 109.178 177.766 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 59.5 tt0 -66.69 -40.67 88.62 Favored 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 111.898 0.332 . . . . 25.0 111.898 177.573 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 96.3 mt -62.78 -40.98 99.0 Favored 'General case' 0 C--O 1.212 -0.905 0 N-CA-C 109.812 -0.44 . . . . 25.0 109.812 -179.305 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -70.92 -33.28 70.37 Favored 'General case' 0 C--O 1.216 -0.701 0 CA-C-N 116.548 -0.296 . . . . 25.0 111.312 178.753 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -65.98 -42.28 90.07 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.527 0.679 . . . . 25.0 109.72 175.154 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 55.4 tt0 -67.29 -43.23 82.27 Favored 'General case' 0 C--N 1.316 -0.862 0 O-C-N 121.709 -0.619 . . . . 25.0 110.894 178.806 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 12.9 t-160 -62.65 -41.08 98.84 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 108.968 -0.752 . . . . 25.0 108.968 177.839 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 44.9 t80 -61.87 -33.08 73.55 Favored 'General case' 0 C--O 1.215 -0.726 0 O-C-N 121.944 -0.472 . . . . 25.0 111.656 179.133 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.92 -42.49 97.38 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.092 0.472 . . . . 25.0 109.969 177.09 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -64.76 -41.18 96.09 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-O 121.246 0.546 . . . . 25.0 109.61 176.231 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 21.1 t80 -62.16 -34.32 76.19 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.322 -0.399 . . . . 25.0 111.255 178.574 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.46 -37.82 83.51 Favored 'General case' 0 N--CA 1.45 -0.439 0 O-C-N 122.177 -0.327 . . . . 25.0 111.09 176.581 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -67.68 -39.97 84.43 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.714 -0.476 . . . . 25.0 109.714 177.068 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -63.5 -43.95 95.74 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.72 -0.392 . . . . 25.0 111.03 178.239 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 48.2 mt -62.73 -28.47 69.99 Favored 'General case' 0 C--O 1.216 -0.708 0 N-CA-C 112.357 0.502 . . . . 25.0 112.357 -179.464 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -68.46 -38.11 80.79 Favored 'General case' 0 CA--C 1.548 0.874 0 O-C-N 121.279 -0.888 . . . . 25.0 110.887 175.693 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -71.22 -32.96 69.43 Favored 'General case' 0 C--O 1.212 -0.869 0 N-CA-C 109.673 -0.491 . . . . 25.0 109.673 178.35 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 82.5 t -69.0 -40.99 81.57 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.549 0 CA-C-O 121.483 0.658 . . . . 25.0 109.375 175.198 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -59.22 -51.01 71.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 121.762 -0.586 . . . . 25.0 111.078 179.065 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.8 pp -68.13 -29.23 68.09 Favored 'General case' 0 N--CA 1.444 -0.747 0 N-CA-C 111.807 0.299 . . . . 25.0 111.807 -177.897 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.13 -40.89 95.5 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 120.414 -0.515 . . . . 25.0 109.759 175.11 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 86.5 mt-30 -70.69 -32.1 69.22 Favored 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 120.807 -0.357 . . . . 25.0 111.065 -179.362 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 90.4 mm-40 -63.58 -49.49 73.17 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 119.97 -0.692 . . . . 25.0 109.916 175.234 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -68.16 -25.86 65.47 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.305 0.483 . . . . 25.0 112.305 -175.768 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.23 -32.85 74.35 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.634 0.254 . . . . 25.0 111.197 176.803 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -87.5 -32.91 19.18 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.543 0.687 . . . . 25.0 111.905 177.801 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 73.6 mt -74.38 -33.69 63.13 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 122.006 -0.434 . . . . 25.0 111.982 -177.736 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 85.1 mm-40 51.39 37.48 19.18 Favored 'General case' 0 N--CA 1.475 0.805 0 O-C-N 124.182 0.926 . . . . 25.0 113.195 178.366 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 10.9 ttpt -124.1 28.13 6.88 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 112.842 0.682 . . . . 25.0 112.842 -177.662 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 98.1 mm-40 -121.45 63.62 0.9 Allowed 'General case' 0 CA--C 1.542 0.658 0 CA-C-O 122.138 0.97 . . . . 25.0 108.894 178.831 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 . . . . . 0 C--O 1.208 -1.09 0 CA-C-O 124.646 2.165 . . . . 25.0 112.922 -175.774 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.3 ttm . . . . . 0 N--CA 1.495 1.781 0 CA-C-O 123.438 1.59 . . . . 25.0 111.406 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 32.5 tt0 -74.9 -13.75 60.58 Favored 'General case' 0 C--O 1.219 -0.543 0 CA-C-N 114.605 -1.179 . . . . 25.0 111.254 178.38 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -116.09 101.86 9.11 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.277 -0.419 . . . . 25.0 110.254 -178.324 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 23.0 ptmt -63.67 -30.11 71.25 Favored 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 115.492 1.664 . . . . 25.0 115.492 -176.607 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 85.0 mt-30 -71.37 -26.92 63.0 Favored 'General case' 0 N--CA 1.486 1.33 0 O-C-N 121.199 -0.938 . . . . 25.0 112.901 -177.887 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -65.56 -37.21 86.02 Favored 'General case' 0 C--O 1.221 -0.419 0 CA-C-O 121.948 0.88 . . . . 25.0 108.91 176.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 54.6 mt -68.4 -42.91 84.36 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.004 0 CA-C-N 115.175 -0.921 . . . . 25.0 110.379 -179.786 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 75.7 mtp -60.17 -42.51 95.11 Favored 'General case' 0 C--O 1.215 -0.724 0 C-N-CA 120.558 -0.457 . . . . 25.0 111.164 176.844 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.07 -39.2 74.48 Favored 'General case' 0 CA--C 1.54 0.593 0 O-C-N 121.442 -0.786 . . . . 25.0 112.03 -178.507 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.08 -45.12 86.58 Favored 'General case' 0 C--N 1.312 -1.063 0 CA-C-O 121.94 0.876 . . . . 25.0 110.562 179.219 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 87.4 mt -65.99 -32.69 74.32 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.041 -0.527 . . . . 25.0 110.532 -178.601 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 78.3 m-20 -64.58 -36.17 83.38 Favored 'General case' 0 N--CA 1.435 -1.189 0 CA-C-O 120.884 0.373 . . . . 25.0 110.085 -178.6 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 19.6 m -65.18 -42.49 93.6 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.559 0.695 . . . . 25.0 111.542 177.398 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 27.8 mm100 -72.14 -37.9 69.32 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 114.033 1.123 . . . . 25.0 114.033 -177.136 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 41.6 p -90.91 2.14 56.44 Favored 'General case' 0 C--N 1.313 -1.011 0 N-CA-C 113.406 0.891 . . . . 25.0 113.406 -177.523 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -50.68 -69.38 0.11 Allowed 'General case' 0 CA--C 1.546 0.799 0 N-CA-C 113.439 0.904 . . . . 25.0 113.439 -173.249 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.9 p -72.74 -26.66 23.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 O-C-N 121.134 -0.979 . . . . 25.0 110.2 -177.008 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 44.2 tt0 -59.5 -45.56 91.34 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.264 0.555 . . . . 25.0 110.406 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 12.7 m-30 -84.01 -22.43 31.35 Favored 'General case' 0 C--O 1.246 0.869 0 CA-C-O 121.356 0.598 . . . . 25.0 111.679 -178.153 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.513 ' HA ' HD11 ' A' ' 38' ' ' ILE . 59.4 tt0 -61.99 -36.58 81.93 Favored 'General case' 0 C--O 1.217 -0.643 0 CA-C-N 116.078 -0.51 . . . . 25.0 110.57 -179.59 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 98.1 mm-40 -60.99 -43.04 99.42 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 120.741 -0.383 . . . . 25.0 110.658 179.089 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 67.9 t80 -69.53 -44.57 70.7 Favored 'General case' 0 C--O 1.242 0.69 0 CA-C-O 121.162 0.506 . . . . 25.0 111.129 177.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.52 -34.96 73.29 Favored 'General case' 0 C--O 1.226 -0.166 0 O-C-N 121.511 -0.743 . . . . 25.0 111.375 -179.501 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.47 -24.26 64.68 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.141 0.422 . . . . 25.0 112.141 -178.187 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -79.19 -27.73 42.61 Favored 'General case' 0 C--O 1.242 0.659 0 O-C-N 122.26 -0.275 . . . . 25.0 110.266 178.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 84.6 mm-40 -89.58 -46.74 8.44 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 122.834 0.454 . . . . 25.0 111.326 -174.594 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -120.23 69.95 15.26 Favored Pre-proline 0 CA--C 1.528 0.118 0 CA-C-O 120.894 0.378 . . . . 25.0 110.676 177.661 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_endo -69.88 140.32 41.95 Favored 'Trans proline' 0 C--N 1.35 0.614 0 C-N-CA 116.596 -1.803 . . . . 25.0 113.744 -179.136 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 83.32 -11.33 55.87 Favored Glycine 0 C--N 1.346 1.132 0 N-CA-C 116.422 1.329 . . . . 25.0 116.422 -178.159 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -114.47 87.03 2.55 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 118.587 1.194 . . . . 25.0 109.584 -174.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 72.8 t80 -52.75 -48.05 67.01 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 113.018 0.747 . . . . 25.0 113.018 179.596 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -58.84 -45.57 89.73 Favored 'General case' 0 C--O 1.216 -0.695 0 N-CA-C 112.9 0.704 . . . . 25.0 112.9 -179.007 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 96.7 mm-40 -68.66 -35.66 77.54 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.037 0.446 . . . . 25.0 110.758 -178.23 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -59.3 -36.8 76.27 Favored 'General case' 0 C--O 1.205 -1.279 0 C-N-CA 120.193 -0.603 . . . . 25.0 110.262 173.706 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 85.0 mm-40 -70.58 -41.43 72.37 Favored 'General case' 0 N--CA 1.47 0.572 0 O-C-N 121.529 -0.732 . . . . 25.0 110.518 -177.707 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 68.7 mt -62.39 -41.92 93.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 N-CA-C 108.849 -0.797 . . . . 25.0 108.849 178.65 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 25.7 tp -65.19 -48.08 74.68 Favored 'General case' 0 N--CA 1.452 -0.354 0 O-C-N 122.08 -0.387 . . . . 25.0 110.146 -178.58 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.513 HD11 ' HA ' ' A' ' 20' ' ' GLN . 66.1 mt -57.71 -37.61 60.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 O-C-N 122.038 -0.414 . . . . 25.0 110.951 178.101 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.14 -42.34 90.44 Favored 'General case' 0 C--O 1.21 -1.01 0 CA-C-O 121.208 0.528 . . . . 25.0 111.989 179.029 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -71.21 -36.44 71.89 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 120.457 -0.497 . . . . 25.0 111.214 178.554 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 66.9 mt -63.0 -39.43 94.73 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 120.87 -0.332 . . . . 25.0 110.402 176.159 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 -68.26 -35.07 77.33 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 123.322 0.649 . . . . 25.0 111.297 178.797 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -59.18 -44.3 92.19 Favored 'General case' 0 N--CA 1.464 0.267 0 C-N-CA 120.3 -0.56 . . . . 25.0 110.246 175.74 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -71.23 -37.36 72.03 Favored 'General case' 0 C--O 1.217 -0.653 0 CA-C-N 116.223 -0.444 . . . . 25.0 111.815 177.796 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 55.2 t60 -63.17 -29.68 70.98 Favored 'General case' 0 C--N 1.314 -0.973 0 N-CA-C 111.691 0.256 . . . . 25.0 111.691 176.683 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 85.8 t80 -61.67 -31.8 71.94 Favored 'General case' 0 C--N 1.318 -0.767 0 O-C-N 122.067 -0.396 . . . . 25.0 110.59 177.167 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 -67.14 -41.52 85.96 Favored 'General case' 0 C--O 1.211 -0.925 0 C-N-CA 120.981 -0.287 . . . . 25.0 110.89 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 18.5 tt0 -62.16 -38.99 91.14 Favored 'General case' 0 CA--C 1.518 -0.262 0 O-C-N 121.703 -0.623 . . . . 25.0 110.74 179.078 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 28.2 t80 -63.77 -43.72 95.55 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.929 -0.578 . . . . 25.0 110.953 179.364 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 36.2 mmt -65.89 -40.43 91.57 Favored 'General case' 0 CA--C 1.514 -0.441 0 O-C-N 121.572 -0.705 . . . . 25.0 111.625 178.739 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -63.11 -40.96 99.15 Favored 'General case' 0 C--N 1.316 -0.88 0 C-N-CA 120.459 -0.497 . . . . 25.0 109.76 178.394 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 5.4 tp-100 -68.38 -40.51 81.37 Favored 'General case' 0 N--CA 1.441 -0.876 0 O-C-N 121.589 -0.694 . . . . 25.0 111.268 179.016 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 14.7 mt -64.52 -29.59 70.62 Favored 'General case' 0 C--O 1.204 -1.322 0 C-N-CA 119.411 -0.916 . . . . 25.0 112.385 179.562 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -64.26 -41.24 97.03 Favored 'General case' 0 C--N 1.319 -0.745 0 O-C-N 121.369 -0.832 . . . . 25.0 110.059 174.476 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 -68.51 -33.37 74.02 Favored 'General case' 0 CA--C 1.533 0.3 0 N-CA-C 108.933 -0.766 . . . . 25.0 108.933 178.53 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 71.8 t -68.9 -39.54 80.03 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 CA-C-O 121.147 0.498 . . . . 25.0 110.718 178.1 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 6.2 mm-40 -61.23 -47.5 85.79 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 108.518 -0.919 . . . . 25.0 108.518 176.838 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 54.4 mt -61.62 -40.84 96.29 Favored 'General case' 0 C--N 1.314 -0.936 0 N-CA-C 112.658 0.614 . . . . 25.0 112.658 178.048 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.27 -44.09 95.64 Favored 'General case' 0 N--CA 1.446 -0.636 0 C-N-CA 120.777 -0.369 . . . . 25.0 110.497 179.787 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 83.1 mt-30 -69.46 -41.15 76.6 Favored 'General case' 0 C--O 1.22 -0.46 0 C-N-CA 120.034 -0.666 . . . . 25.0 110.229 -176.34 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -70.65 -39.77 73.42 Favored 'General case' 0 C--N 1.306 -1.284 0 CA-C-O 121.948 0.88 . . . . 25.0 112.489 -176.836 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 4.6 pp0? -72.71 -22.78 60.83 Favored 'General case' 0 CA--C 1.506 -0.743 0 O-C-N 120.559 -1.338 . . . . 25.0 110.565 -177.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.27 -25.69 59.77 Favored 'General case' 0 C--O 1.235 0.328 0 N-CA-C 108.487 -0.931 . . . . 25.0 108.487 179.454 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -90.68 -36.37 14.39 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 122.041 0.924 . . . . 25.0 110.764 179.626 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 66.3 mt -75.97 -39.79 55.25 Favored 'General case' 0 N--CA 1.488 1.438 0 CA-C-N 115.841 -0.618 . . . . 25.0 110.478 -177.045 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 65.4 mt-30 52.57 36.26 20.12 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 114.867 1.432 . . . . 25.0 114.867 176.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 57.6 mttm -121.52 27.35 8.3 Favored 'General case' 0 C--O 1.202 -1.425 0 N-CA-C 115.388 1.625 . . . . 25.0 115.388 -175.425 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 47.8 79.7 0.06 Allowed 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 123.837 0.855 . . . . 25.0 113.269 178.556 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 24.3 pt20 . . . . . 0 CA--C 1.556 1.19 0 CA-C-O 123.175 1.464 . . . . 25.0 113.274 177.452 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.209 -1.078 0 N-CA-C 113.358 0.873 . . . . 25.0 113.358 . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 2.8 tp-100 51.04 46.55 26.27 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-O 121.946 0.879 . . . . 25.0 110.157 -178.427 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 13.6 mp0 -66.91 6.64 0.48 Allowed 'General case' 0 C--O 1.213 -0.83 0 N-CA-C 113.444 0.905 . . . . 25.0 113.444 178.314 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 55.4 mtpt -52.44 -36.2 53.95 Favored 'General case' 0 C--N 1.346 0.426 0 CA-C-O 121.632 0.729 . . . . 25.0 110.569 171.936 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 18.3 pt20 -66.77 -23.62 66.1 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 113.012 0.745 . . . . 25.0 113.012 -179.049 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -71.67 -36.66 70.72 Favored 'General case' 0 C--O 1.218 -0.565 0 O-C-N 120.761 -1.212 . . . . 25.0 110.141 175.482 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 47.9 mt -67.57 -39.6 82.67 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.36 0 N-CA-C 108.44 -0.948 . . . . 25.0 108.44 178.355 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 77.5 mtp -63.46 -42.24 98.61 Favored 'General case' 0 C--O 1.206 -1.217 0 CA-C-N 115.917 -0.583 . . . . 25.0 112.31 177.214 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.36 -40.93 92.54 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-O 121.916 0.865 . . . . 25.0 110.637 -179.678 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.26 -47.09 71.75 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.248 -0.887 . . . . 25.0 110.393 -179.306 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 79.0 mt -64.06 -39.87 95.01 Favored 'General case' 0 C--O 1.242 0.66 0 O-C-N 121.101 -0.999 . . . . 25.0 111.51 -179.917 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 50.0 m-20 -64.13 -30.05 71.14 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.197 -0.456 . . . . 25.0 110.92 179.708 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 49.3 m -62.74 -36.2 82.27 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-O 120.7 0.286 . . . . 25.0 110.984 179.016 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -75.6 -27.07 58.35 Favored 'General case' 0 C--O 1.241 0.658 0 N-CA-C 113.458 0.91 . . . . 25.0 113.458 179.824 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 59.7 p -105.95 -5.22 19.79 Favored 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 114.809 1.411 . . . . 25.0 114.809 -170.462 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -48.97 -69.75 0.11 Allowed 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 114.091 1.145 . . . . 25.0 114.091 -175.065 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.5 p -68.89 -26.98 33.88 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-O 121.72 0.771 . . . . 25.0 110.258 -177.723 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 50.0 tt0 -64.5 -50.27 68.06 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.266 0.555 . . . . 25.0 111.647 -177.91 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 18.7 m-30 -75.27 -21.72 58.33 Favored 'General case' 0 C--N 1.315 -0.919 0 C-N-CA 119.185 -1.006 . . . . 25.0 110.882 -178.719 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.448 ' HA ' HD11 ' A' ' 38' ' ' ILE . 45.5 tt0 -60.92 -36.31 78.97 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 122.597 0.359 . . . . 25.0 111.202 179.593 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -70.58 -38.77 74.11 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 120.948 -0.301 . . . . 25.0 111.232 179.431 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 56.1 t80 -69.57 -36.75 76.58 Favored 'General case' 0 C--O 1.22 -0.466 0 N-CA-C 109.918 -0.401 . . . . 25.0 109.918 176.02 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.95 -42.45 97.3 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.884 -0.413 . . . . 25.0 109.884 178.753 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.51 -29.43 70.47 Favored 'General case' 0 C--O 1.205 -1.25 0 C-N-CA 120.208 -0.597 . . . . 25.0 111.278 179.231 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 37.4 tt0 -69.71 -30.79 68.5 Favored 'General case' 0 C--O 1.21 -1.026 0 CA-C-O 121.102 0.477 . . . . 25.0 109.986 178.025 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 5.5 mm-40 -89.64 -46.84 8.35 Favored 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 113.795 1.035 . . . . 25.0 113.795 -175.515 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -123.09 70.72 42.04 Favored Pre-proline 0 C--O 1.238 0.497 0 O-C-N 123.634 0.584 . . . . 25.0 110.321 179.527 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_endo -67.07 135.15 36.47 Favored 'Trans proline' 0 CA--C 1.539 0.735 0 C-N-CA 117.969 -0.888 . . . . 25.0 112.469 -172.95 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 81.99 -14.62 31.42 Favored Glycine 0 CA--C 1.536 1.361 0 CA-C-N 115.91 -0.586 . . . . 25.0 114.415 179.646 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -100.48 85.75 3.02 Favored 'General case' 0 C--O 1.217 -0.628 0 CA-C-N 117.828 0.814 . . . . 25.0 110.892 -176.662 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 60.1 t80 -52.23 -48.14 65.3 Favored 'General case' 0 CA--C 1.507 -0.706 0 N-CA-C 112.737 0.643 . . . . 25.0 112.737 -179.16 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -61.95 -46.08 90.88 Favored 'General case' 0 N--CA 1.478 0.933 0 N-CA-C 111.823 0.305 . . . . 25.0 111.823 -179.004 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.403 ' HA ' HD12 ' A' ' 36' ' ' ILE . 26.8 mm100 -65.59 -35.7 81.59 Favored 'General case' 0 C--N 1.318 -0.768 0 O-C-N 121.418 -0.801 . . . . 25.0 110.29 -179.638 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 70.8 mt-30 -61.79 -37.02 82.81 Favored 'General case' 0 N--CA 1.439 -1.018 0 C-N-CA 120.061 -0.656 . . . . 25.0 110.892 176.65 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 98.2 mm-40 -72.32 -36.66 68.92 Favored 'General case' 0 C--O 1.243 0.759 0 CA-C-O 120.977 0.418 . . . . 25.0 110.854 -178.384 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.403 HD12 ' HA ' ' A' ' 33' ' ' GLN . 56.4 mt -62.98 -42.43 96.61 Favored 'Isoleucine or valine' 0 C--O 1.258 1.528 0 O-C-N 122.0 -0.437 . . . . 25.0 110.986 175.688 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 42.5 tp -64.19 -47.65 78.97 Favored 'General case' 0 C--O 1.212 -0.896 0 C-N-CA 119.812 -0.755 . . . . 25.0 110.638 -179.687 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.448 HD11 ' HA ' ' A' ' 20' ' ' GLN . 63.9 mt -56.97 -42.4 78.85 Favored 'Isoleucine or valine' 0 C--O 1.249 1.044 0 O-C-N 121.925 -0.484 . . . . 25.0 110.716 179.037 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.82 -37.64 79.74 Favored 'General case' 0 C--O 1.24 0.589 0 O-C-N 122.036 -0.415 . . . . 25.0 112.086 179.025 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 12.4 tm0? -71.62 -43.89 65.38 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 117.751 0.251 . . . . 25.0 110.343 177.897 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 84.9 mt -59.58 -43.7 93.55 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-O 121.828 0.823 . . . . 25.0 110.899 -177.178 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -63.8 -35.36 80.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.94 -0.573 . . . . 25.0 110.197 -176.918 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -70.93 -36.38 72.61 Favored 'General case' 0 C--N 1.321 -0.668 0 O-C-N 122.025 -0.422 . . . . 25.0 111.919 179.196 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 45.4 tt0 -69.26 -41.31 77.06 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-O 121.27 0.557 . . . . 25.0 110.999 176.223 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 32.5 m80 -66.79 -28.12 68.13 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 122.29 1.043 . . . . 25.0 111.16 178.688 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 69.2 t80 -61.88 -33.58 74.46 Favored 'General case' 0 CA--C 1.544 0.744 0 O-C-N 121.651 -0.656 . . . . 25.0 111.046 176.71 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 73.0 mt-30 -63.86 -39.84 95.16 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.58 0.705 . . . . 25.0 111.235 -179.969 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 46.0 tt0 -62.38 -41.65 98.81 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 121.773 -0.579 . . . . 25.0 109.636 -179.261 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 35.7 t80 -64.84 -42.73 94.7 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 116.085 -0.507 . . . . 25.0 111.12 179.507 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.54 -40.3 85.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.529 0.681 . . . . 25.0 111.725 178.846 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -58.95 -42.24 89.36 Favored 'General case' 0 C--O 1.235 0.32 0 O-C-N 122.03 -0.419 . . . . 25.0 111.662 178.129 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 7.2 tp-100 -63.34 -46.09 88.23 Favored 'General case' 0 C--O 1.216 -0.679 0 CA-C-O 121.531 0.682 . . . . 25.0 110.749 177.922 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 59.1 mt -63.94 -28.43 69.82 Favored 'General case' 0 CA--C 1.512 -0.49 0 N-CA-C 112.961 0.726 . . . . 25.0 112.961 -178.337 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -65.45 -38.86 91.1 Favored 'General case' 0 C--N 1.318 -0.778 0 C-N-CA 122.752 0.421 . . . . 25.0 110.118 176.809 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -69.09 -36.65 77.81 Favored 'General case' 0 C--O 1.218 -0.578 0 C-N-CA 120.677 -0.409 . . . . 25.0 110.488 177.519 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 84.5 t -67.53 -37.5 78.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 N-CA-C 109.256 -0.646 . . . . 25.0 109.256 178.41 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -63.43 -45.43 90.96 Favored 'General case' 0 C--N 1.314 -0.965 0 O-C-N 121.405 -0.81 . . . . 25.0 110.11 176.035 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 15.1 mt -63.72 -35.92 82.16 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.636 -0.257 . . . . 25.0 111.125 179.5 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -57.23 -46.82 82.61 Favored 'General case' 0 C--O 1.216 -0.701 0 N-CA-C 109.021 -0.733 . . . . 25.0 109.021 178.469 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 59.8 mt-30 -64.72 -37.83 88.94 Favored 'General case' 0 N--CA 1.434 -1.233 0 C-N-CA 120.392 -0.523 . . . . 25.0 110.639 -179.923 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 19.8 mt-30 -64.46 -42.51 95.89 Favored 'General case' 0 C--O 1.214 -0.794 0 C-N-CA 120.265 -0.574 . . . . 25.0 110.89 177.578 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 50.2 mt-30 -71.55 -29.4 64.7 Favored 'General case' 0 C--N 1.307 -1.269 0 CA-C-O 120.355 0.121 . . . . 25.0 110.912 -175.837 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -62.98 -30.05 71.29 Favored 'General case' 0 C--N 1.31 -1.132 0 CA-C-N 116.003 -0.544 . . . . 25.0 110.462 175.405 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -92.56 -34.76 13.91 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.225 0.454 . . . . 25.0 112.225 178.729 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 35.3 mt -69.88 -41.47 74.73 Favored 'General case' 0 CA--C 1.498 -1.019 0 O-C-N 122.137 -0.352 . . . . 25.0 111.424 -176.889 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 83.2 mt-30 53.93 24.05 4.34 Favored 'General case' 0 CA--C 1.554 1.129 0 N-CA-C 114.312 1.227 . . . . 25.0 114.312 176.286 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 26.4 ttpt 54.88 35.93 25.48 Favored 'General case' 0 C--O 1.251 1.171 0 N-CA-C 114.001 1.111 . . . . 25.0 114.001 -179.117 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -80.56 78.58 7.29 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 123.284 1.516 . . . . 25.0 108.0 175.209 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 26.3 mm100 . . . . . 0 C--O 1.209 -1.076 0 CA-C-O 124.646 2.165 . . . . 25.0 112.457 -173.447 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 74.7 mtm . . . . . 0 N--CA 1.504 2.264 0 CA-C-O 123.492 1.615 . . . . 25.0 111.201 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 3.4 pm0 -75.26 46.54 0.33 Allowed 'General case' 0 C--O 1.253 1.244 0 CA-C-N 113.707 -1.588 . . . . 25.0 113.052 176.874 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 48.3 tt0 -73.91 58.56 0.66 Allowed 'General case' 0 CA--C 1.544 0.733 0 CA-C-O 122.351 1.072 . . . . 25.0 111.214 -178.727 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 55.5 pttt -132.73 -28.83 1.56 Allowed 'General case' 0 C--O 1.221 -0.418 0 CA-C-N 115.427 -0.806 . . . . 25.0 110.06 -177.859 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -72.62 -23.94 61.0 Favored 'General case' 0 C--O 1.211 -0.921 0 N-CA-C 113.868 1.062 . . . . 25.0 113.868 -177.188 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 13.7 mm-40 -59.7 -43.07 94.25 Favored 'General case' 0 C--O 1.211 -0.969 0 CA-C-O 121.992 0.901 . . . . 25.0 109.246 174.204 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 81.1 mt -69.23 -38.88 78.46 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.024 0 N-CA-C 108.522 -0.918 . . . . 25.0 108.522 -177.304 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 78.8 mtp -61.99 -42.16 98.84 Favored 'General case' 0 C--O 1.207 -1.175 0 N-CA-C 109.434 -0.58 . . . . 25.0 109.434 179.454 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.49 -39.71 94.35 Favored 'General case' 0 CA--C 1.55 0.961 0 CA-C-N 118.175 0.443 . . . . 25.0 110.204 179.803 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.47 -46.3 86.8 Favored 'General case' 0 N--CA 1.477 0.909 0 CA-C-O 121.375 0.607 . . . . 25.0 110.956 178.72 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 89.6 mt -65.03 -35.99 82.93 Favored 'General case' 0 CA--C 1.498 -1.03 0 CA-C-N 116.062 -0.517 . . . . 25.0 112.02 177.99 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 82.1 m-20 -64.92 -39.87 94.19 Favored 'General case' 0 C--O 1.212 -0.906 0 C-N-CA 120.638 -0.425 . . . . 25.0 110.254 -178.359 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 32.1 t -71.71 -42.76 66.98 Favored 'General case' 0 C--O 1.241 0.645 0 C-N-CA 120.8 -0.36 . . . . 25.0 111.392 177.763 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -61.06 -41.36 96.48 Favored 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 113.472 0.916 . . . . 25.0 113.472 -179.333 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 71.6 p -99.36 -4.91 30.56 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 115.077 1.51 . . . . 25.0 115.077 -171.551 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -45.33 -65.18 0.57 Allowed 'General case' 0 CA--C 1.532 0.259 0 N-CA-C 114.093 1.146 . . . . 25.0 114.093 -173.032 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 8.4 p -72.16 -28.25 28.93 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 C-N-CA 120.742 -0.383 . . . . 25.0 110.952 -172.976 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 6.2 mp0 -63.42 -45.5 90.66 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-O 121.18 0.514 . . . . 25.0 111.722 177.997 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 19.6 m-30 -79.61 -23.59 42.56 Favored 'General case' 0 N--CA 1.445 -0.689 0 O-C-N 121.575 -0.703 . . . . 25.0 111.445 -177.832 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.403 ' HA ' HD11 ' A' ' 38' ' ' ILE . 37.2 tt0 -60.5 -38.97 86.07 Favored 'General case' 0 C--O 1.213 -0.855 0 N-CA-C 112.344 0.498 . . . . 25.0 112.344 178.161 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -62.77 -42.91 99.91 Favored 'General case' 0 C--N 1.32 -0.691 0 C-N-CA 120.289 -0.564 . . . . 25.0 110.536 -179.366 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 33.9 t80 -67.98 -42.56 80.63 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 115.566 -0.743 . . . . 25.0 110.999 176.925 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.25 -35.39 77.14 Favored 'General case' 0 C--O 1.215 -0.714 0 CA-C-O 121.478 0.656 . . . . 25.0 110.137 -178.547 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.62 -25.01 66.39 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.661 0.743 . . . . 25.0 112.422 179.444 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -79.24 -26.48 42.47 Favored 'General case' 0 C--O 1.212 -0.892 0 O-C-N 121.723 -0.61 . . . . 25.0 110.597 177.281 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 30.5 mm-40 -86.31 -46.32 10.42 Favored 'General case' 0 N--CA 1.469 0.525 0 N-CA-C 113.527 0.936 . . . . 25.0 113.527 178.47 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 29.6 m-85 -124.06 73.12 56.31 Favored Pre-proline 0 C--O 1.245 0.817 0 CA-C-N 116.022 -0.535 . . . . 25.0 109.619 179.698 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -71.78 138.67 32.16 Favored 'Trans proline' 0 C--N 1.356 0.951 0 C-N-CA 117.307 -1.328 . . . . 25.0 114.388 -176.232 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.98 -12.0 19.5 Favored Glycine 0 N--CA 1.45 -0.394 0 N-CA-C 115.826 1.091 . . . . 25.0 115.826 -176.669 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 21.6 m120 -105.22 87.82 2.72 Favored 'General case' 0 N--CA 1.482 1.15 0 CA-C-O 121.424 0.63 . . . . 25.0 111.781 -176.788 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 81.7 t80 -56.87 -44.19 81.97 Favored 'General case' 0 N--CA 1.477 0.91 0 N-CA-C 112.678 0.621 . . . . 25.0 112.678 -179.873 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -60.54 -46.33 90.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.286 -0.416 . . . . 25.0 110.064 -179.218 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.406 ' HA ' HD12 ' A' ' 36' ' ' ILE . 94.7 mm-40 -70.31 -35.56 73.74 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 118.762 0.71 . . . . 25.0 111.254 -177.068 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 61.2 mt-30 -57.23 -38.0 73.13 Favored 'General case' 0 N--CA 1.479 0.989 0 CA-C-N 116.01 -0.541 . . . . 25.0 110.35 175.187 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 93.2 mm-40 -71.49 -39.66 70.72 Favored 'General case' 0 N--CA 1.441 -0.884 0 C-N-CA 120.373 -0.531 . . . . 25.0 111.902 -179.869 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.406 HD12 ' HA ' ' A' ' 33' ' ' GLN . 76.9 mt -63.43 -34.13 65.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 N-CA-C 107.791 -1.188 . . . . 25.0 107.791 -178.011 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 29.3 tp -71.31 -47.03 59.22 Favored 'General case' 0 C--O 1.221 -0.397 0 N-CA-C 113.195 0.813 . . . . 25.0 113.195 176.383 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.403 HD11 ' HA ' ' A' ' 20' ' ' GLN . 43.2 mt -57.28 -41.73 78.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 N-CA-C 109.587 -0.523 . . . . 25.0 109.587 178.589 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 60.6 ttp180 -59.55 -42.81 93.24 Favored 'General case' 0 C--O 1.21 -1.022 0 N-CA-C 112.066 0.395 . . . . 25.0 112.066 178.341 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -62.32 -42.6 99.51 Favored 'General case' 0 C--O 1.22 -0.456 0 O-C-N 123.343 0.402 . . . . 25.0 111.82 176.444 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 71.0 mt -64.48 -38.7 91.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 121.588 -0.695 . . . . 25.0 111.499 179.215 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -70.43 -37.29 74.38 Favored 'General case' 0 C--N 1.32 -0.713 0 O-C-N 122.075 -0.391 . . . . 25.0 111.34 -178.271 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -66.23 -37.7 86.15 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-N 115.576 -0.738 . . . . 25.0 109.428 175.974 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -66.14 -44.98 82.6 Favored 'General case' 0 C--O 1.243 0.731 0 O-C-N 121.938 -0.476 . . . . 25.0 110.146 176.496 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 73.3 t60 -63.91 -24.66 67.82 Favored 'General case' 0 C--O 1.224 -0.269 0 C-N-CA 122.457 0.303 . . . . 25.0 111.419 -178.764 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 28.0 t80 -59.23 -35.5 73.75 Favored 'General case' 0 N--CA 1.48 1.048 0 O-C-N 122.065 -0.397 . . . . 25.0 110.721 176.64 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 81.2 mt-30 -63.01 -46.03 89.58 Favored 'General case' 0 CA--C 1.547 0.838 0 CA-C-O 121.733 0.778 . . . . 25.0 110.956 177.868 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 44.3 tt0 -69.14 -41.79 76.83 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 115.658 -0.701 . . . . 25.0 110.564 -178.414 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 46.6 t80 -61.61 -35.68 78.56 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.021 0.438 . . . . 25.0 110.561 -179.041 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.55 -42.51 82.53 Favored 'General case' 0 CA--C 1.508 -0.663 0 C-N-CA 120.169 -0.613 . . . . 25.0 112.184 177.567 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 65.7 mt-30 -66.35 -36.18 82.25 Favored 'General case' 0 C--N 1.322 -0.622 0 O-C-N 122.11 -0.368 . . . . 25.0 110.238 178.069 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 70.2 tp60 -65.18 -39.35 92.78 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 123.267 0.354 . . . . 25.0 110.121 177.336 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 18.4 mt -67.45 -27.2 66.84 Favored 'General case' 0 C--N 1.312 -1.063 0 O-C-N 121.31 -0.869 . . . . 25.0 113.168 177.641 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -67.93 -40.12 83.39 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.068 -0.715 . . . . 25.0 109.068 175.493 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -70.59 -36.66 73.69 Favored 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 120.308 -0.557 . . . . 25.0 110.012 178.495 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 81.4 t -65.06 -36.85 78.77 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.915 0 CA-C-N 116.191 -0.458 . . . . 25.0 111.211 175.965 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -61.46 -42.28 98.53 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 118.91 0.777 . . . . 25.0 110.533 176.766 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 42.4 mt -66.55 -34.75 78.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.459 -0.791 . . . . 25.0 110.383 179.358 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.98 -38.08 87.61 Favored 'General case' 0 C--N 1.313 -0.987 0 CA-C-N 116.171 -0.468 . . . . 25.0 110.321 176.537 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -67.43 -32.41 73.27 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 120.28 -0.568 . . . . 25.0 111.39 177.486 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 10.8 mm100 -67.45 -43.74 80.37 Favored 'General case' 0 C--O 1.214 -0.814 0 N-CA-C 110.174 -0.306 . . . . 25.0 110.174 174.598 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -70.35 -30.93 67.99 Favored 'General case' 0 C--O 1.241 0.641 0 O-C-N 121.217 -0.927 . . . . 25.0 111.339 -179.637 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -62.96 -33.54 75.6 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 115.391 -0.822 . . . . 25.0 109.604 176.13 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -83.84 -31.06 26.0 Favored 'General case' 0 N--CA 1.481 1.078 0 N-CA-C 112.287 0.477 . . . . 25.0 112.287 177.375 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 37.9 mt -78.43 -40.22 36.49 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 113.726 1.01 . . . . 25.0 113.726 -176.599 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 81.1 mt-30 49.8 38.53 15.92 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.752 1.221 . . . . 25.0 110.791 178.006 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 16.2 ttmt -119.48 29.51 7.58 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 115.137 -0.938 . . . . 25.0 112.989 -173.227 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -78.25 57.32 1.84 Allowed 'General case' 0 CA--C 1.554 1.099 0 CA-C-O 120.913 0.387 . . . . 25.0 110.872 178.057 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 . . . . . 0 C--O 1.205 -1.265 0 N-CA-C 115.499 1.666 . . . . 25.0 115.499 -172.961 . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.5 tpp . . . . . 0 N--CA 1.484 1.243 0 CA-C-O 126.651 3.12 . . . . 25.0 111.082 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 2.2 mm-40 -139.13 -174.65 3.91 Favored 'General case' 0 C--O 1.222 -0.375 0 CA-C-N 111.205 -2.725 . . . . 25.0 105.411 -174.482 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 67.5 mt-30 49.7 35.81 9.61 Favored 'General case' 0 N--CA 1.475 0.778 0 O-C-N 123.911 0.757 . . . . 25.0 112.955 176.864 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.6 mppt? -67.91 -36.37 80.08 Favored 'General case' 0 N--CA 1.48 1.043 0 O-C-N 121.599 -0.688 . . . . 25.0 112.551 -178.838 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 53.7 mt-30 -70.83 -24.8 62.61 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 121.612 -0.68 . . . . 25.0 111.918 179.713 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 82.4 mm-40 -61.91 -39.84 93.38 Favored 'General case' 0 C--O 1.209 -1.073 0 N-CA-C 107.086 -1.45 . . . . 25.0 107.086 178.368 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 30.5 mt -66.59 -43.1 90.73 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.838 0 CA-C-O 121.242 0.544 . . . . 25.0 110.488 179.547 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 87.5 mtp -61.67 -39.38 91.21 Favored 'General case' 0 C--O 1.216 -0.677 0 CA-C-N 116.135 -0.484 . . . . 25.0 110.491 -178.298 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.81 -36.57 83.88 Favored 'General case' 0 CA--C 1.553 1.068 0 N-CA-C 112.51 0.559 . . . . 25.0 112.51 178.644 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.49 -46.07 87.83 Favored 'General case' 0 C--O 1.248 0.977 0 N-CA-C 108.576 -0.898 . . . . 25.0 108.576 177.263 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 90.8 mt -64.89 -38.05 89.67 Favored 'General case' 0 C--O 1.209 -1.062 0 N-CA-C 112.614 0.598 . . . . 25.0 112.614 177.542 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 63.8 m-20 -65.55 -35.4 80.75 Favored 'General case' 0 C--N 1.316 -0.872 0 N-CA-C 109.135 -0.691 . . . . 25.0 109.135 -178.54 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 27.1 m -66.48 -38.34 87.07 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.919 -0.582 . . . . 25.0 111.097 176.38 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 82.1 mm-40 -74.7 -16.27 60.76 Favored 'General case' 0 N--CA 1.475 0.786 0 N-CA-C 113.199 0.815 . . . . 25.0 113.199 -179.619 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 52.1 p -124.22 0.79 8.44 Favored 'General case' 0 N--CA 1.478 0.931 0 N-CA-C 113.816 1.043 . . . . 25.0 113.816 -174.945 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -49.16 -51.93 29.5 Favored 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 112.981 0.734 . . . . 25.0 112.981 -172.579 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.9 p -79.54 -32.19 14.47 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.626 0 N-CA-C 112.629 0.603 . . . . 25.0 112.629 -177.723 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 6.5 mp0 -64.62 -42.6 95.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 121.623 -0.673 . . . . 25.0 110.265 178.606 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 15.5 m-30 -73.6 -27.6 61.38 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.964 -0.562 . . . . 25.0 112.262 179.55 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.413 ' HA ' HD11 ' A' ' 38' ' ' ILE . 7.4 tm0? -67.51 -45.45 75.76 Favored 'General case' 0 C--O 1.216 -0.659 0 O-C-N 121.821 -0.549 . . . . 25.0 111.128 172.86 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -62.2 -38.93 91.03 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 118.882 0.765 . . . . 25.0 110.79 177.183 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 61.4 t80 -64.54 -44.71 89.96 Favored 'General case' 0 C--O 1.215 -0.754 0 O-C-N 123.553 0.533 . . . . 25.0 112.416 178.337 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.66 -32.27 73.74 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-O 122.276 1.036 . . . . 25.0 110.541 179.639 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.78 -28.57 67.72 Favored 'General case' 0 N--CA 1.443 -0.784 0 O-C-N 121.431 -0.793 . . . . 25.0 109.216 -179.523 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 19.2 tt0 -77.2 -18.66 57.58 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.101 -0.954 . . . . 25.0 112.81 -179.583 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 87.0 mm-40 -97.93 -45.48 6.27 Favored 'General case' 0 CA--C 1.514 -0.404 0 CA-C-N 115.575 -0.738 . . . . 25.0 111.535 -178.397 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 25.6 m-85 -124.69 68.37 52.6 Favored Pre-proline 0 C--N 1.326 -0.435 0 C-N-CA 122.869 0.467 . . . . 25.0 110.928 178.849 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_endo -65.63 138.71 55.23 Favored 'Trans proline' 0 C--N 1.356 0.97 0 C-N-CA 116.693 -1.738 . . . . 25.0 113.841 -176.374 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 86.84 -30.13 4.76 Favored Glycine 0 CA--C 1.529 0.913 0 O-C-N 125.148 1.53 . . . . 25.0 114.267 -177.129 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -94.88 84.35 4.16 Favored 'General case' 0 C--O 1.216 -0.66 0 CA-C-N 119.294 1.547 . . . . 25.0 111.161 -174.062 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 59.8 t80 -54.16 -42.0 69.1 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-O 121.177 0.513 . . . . 25.0 112.254 178.597 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -61.15 -43.78 98.34 Favored 'General case' 0 C--O 1.217 -0.643 0 O-C-N 120.745 -1.222 . . . . 25.0 111.493 -179.178 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 98.2 mm-40 -72.14 -32.22 66.71 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-O 121.002 0.429 . . . . 25.0 110.872 -179.887 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 70.8 mt-30 -61.72 -34.91 76.64 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 115.926 -0.579 . . . . 25.0 110.132 175.263 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 93.2 mm-40 -76.13 -36.51 58.79 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 121.037 -0.265 . . . . 25.0 110.869 -178.621 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 84.3 mt -63.03 -42.25 95.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 N-CA-C 109.166 -0.679 . . . . 25.0 109.166 176.588 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 42.2 tp -65.77 -46.57 78.26 Favored 'General case' 0 C--N 1.319 -0.742 0 C-N-CA 120.521 -0.471 . . . . 25.0 110.553 -176.685 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.413 HD11 ' HA ' ' A' ' 20' ' ' GLN . 72.0 mt -61.39 -36.57 73.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 N-CA-C 109.947 -0.39 . . . . 25.0 109.947 -179.159 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.5 tmt_? -56.07 -42.47 76.72 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 120.782 -0.367 . . . . 25.0 110.949 175.616 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -69.77 -43.34 72.37 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 120.927 -0.309 . . . . 25.0 110.958 178.275 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 85.9 mt -61.63 -41.34 97.35 Favored 'General case' 0 C--N 1.318 -0.784 0 O-C-N 122.216 -0.303 . . . . 25.0 111.468 -176.687 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -64.63 -38.25 90.37 Favored 'General case' 0 C--O 1.244 0.785 0 CA-C-O 121.358 0.599 . . . . 25.0 112.301 -178.437 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -74.43 -45.81 44.04 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-O 121.06 0.457 . . . . 25.0 110.819 -179.038 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 -62.68 -37.19 85.45 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 122.812 0.445 . . . . 25.0 112.0 -179.287 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 72.4 t60 -65.26 -37.36 86.95 Favored 'General case' 0 C--O 1.213 -0.821 0 CA-C-O 120.974 0.416 . . . . 25.0 109.917 177.105 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 52.3 t80 -63.46 -31.12 72.18 Favored 'General case' 0 C--O 1.218 -0.604 0 C-N-CA 120.036 -0.666 . . . . 25.0 111.241 177.839 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 88.9 mm-40 -66.52 -40.07 88.97 Favored 'General case' 0 C--O 1.238 0.46 0 N-CA-C 109.886 -0.413 . . . . 25.0 109.886 177.537 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -64.8 -46.92 80.01 Favored 'General case' 0 CA--C 1.51 -0.577 0 CA-C-O 121.447 0.641 . . . . 25.0 110.056 177.23 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 51.2 t80 -59.26 -38.5 80.24 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.996 -0.547 . . . . 25.0 110.673 -179.373 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.48 -37.81 65.62 Favored 'General case' 0 CA--C 1.537 0.45 0 O-C-N 121.989 -0.444 . . . . 25.0 111.971 178.573 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 45.0 tt0 -61.34 -46.83 88.59 Favored 'General case' 0 CA--C 1.544 0.743 0 O-C-N 121.62 -0.675 . . . . 25.0 111.608 177.044 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -63.65 -39.8 95.25 Favored 'General case' 0 C--O 1.218 -0.593 0 N-CA-C 108.713 -0.847 . . . . 25.0 108.713 -179.893 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 19.9 mt -64.77 -35.44 81.08 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 112.449 0.537 . . . . 25.0 112.449 177.752 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -60.93 -41.63 96.57 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 116.45 -0.341 . . . . 25.0 110.877 176.664 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 92.6 mt-30 -69.67 -31.8 70.06 Favored 'General case' 0 C--N 1.318 -0.761 0 N-CA-C 112.516 0.561 . . . . 25.0 112.516 179.013 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 93.1 t -71.13 -40.06 74.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 C-N-CA 119.927 -0.709 . . . . 25.0 110.733 178.49 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.6 mm-40 -59.0 -45.8 89.76 Favored 'General case' 0 N--CA 1.444 -0.764 0 CA-C-O 121.558 0.694 . . . . 25.0 110.903 176.875 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 59.0 mt -64.76 -39.7 94.06 Favored 'General case' 0 N--CA 1.439 -0.975 0 CA-C-N 115.461 -0.791 . . . . 25.0 112.445 176.826 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.52 -43.0 99.64 Favored 'General case' 0 C--O 1.24 0.571 0 CA-C-O 121.622 0.725 . . . . 25.0 110.248 179.584 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -66.46 -40.51 89.43 Favored 'General case' 0 C--N 1.322 -0.618 0 O-C-N 122.012 -0.43 . . . . 25.0 111.605 179.756 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -67.55 -37.97 83.46 Favored 'General case' 0 C--O 1.201 -1.492 0 C-N-CA 119.493 -0.883 . . . . 25.0 112.814 -177.341 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -70.4 -28.16 64.86 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 119.271 -0.971 . . . . 25.0 113.05 178.289 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -66.65 -29.47 69.5 Favored 'General case' 0 N--CA 1.471 0.622 0 N-CA-C 109.435 -0.58 . . . . 25.0 109.435 177.017 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -85.78 -38.31 18.34 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.385 -0.371 . . . . 25.0 110.901 177.712 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 69.9 mt -74.27 -36.2 63.8 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 112.134 0.42 . . . . 25.0 112.134 -174.342 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.418 ' C ' ' H ' ' A' ' 68' ' ' GLN . 20.6 mm100 46.67 37.71 4.92 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-O 122.081 0.943 . . . . 25.0 113.537 179.499 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 8.1 mmmm -77.82 31.78 0.17 Allowed 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 123.828 0.851 . . . . 25.0 110.497 177.248 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.418 ' H ' ' C ' ' A' ' 66' ' ' GLN . 85.9 mt-30 -125.2 75.62 1.47 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 122.652 1.215 . . . . 25.0 110.876 -178.191 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 . . . . . 0 N--CA 1.44 -0.941 0 CA-C-O 122.849 1.309 . . . . 25.0 109.153 174.102 . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 60.8 mtt . . . . . 0 N--CA 1.509 2.489 0 CA-C-O 124.944 2.307 . . . . 25.0 113.496 . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 72.0 mt-30 -103.74 145.6 29.84 Favored 'General case' 0 CA--C 1.518 -0.281 0 CA-C-N 114.036 -1.438 . . . . 25.0 107.279 169.762 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 16.6 pt20 -146.22 161.81 39.43 Favored 'General case' 0 C--O 1.215 -0.749 0 N-CA-C 109.772 -0.455 . . . . 25.0 109.772 -178.531 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 67.5 mttm 64.72 -45.48 0.32 Allowed 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 125.667 1.587 . . . . 25.0 114.845 -173.988 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -66.64 -22.66 66.1 Favored 'General case' 0 C--O 1.206 -1.21 0 C-N-CA 123.357 0.663 . . . . 25.0 110.429 173.237 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 35.5 mm-40 -58.53 -39.76 81.05 Favored 'General case' 0 C--O 1.217 -0.646 0 CA-C-O 122.618 1.199 . . . . 25.0 109.665 173.372 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 42.3 mt -73.36 -36.01 47.73 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.638 0 N-CA-C 107.128 -1.434 . . . . 25.0 107.128 -177.765 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 74.1 mtp -64.6 -42.94 95.22 Favored 'General case' 0 C--O 1.21 -0.992 0 O-C-N 121.025 -1.047 . . . . 25.0 111.969 177.924 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.97 -43.38 91.36 Favored 'General case' 0 N--CA 1.44 -0.955 0 O-C-N 122.022 -0.424 . . . . 25.0 110.442 177.406 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.03 -46.85 85.62 Favored 'General case' 0 CA--C 1.549 0.913 0 CA-C-O 121.037 0.446 . . . . 25.0 110.09 179.831 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 89.8 mt -67.19 -37.08 83.07 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-O 120.976 0.417 . . . . 25.0 111.095 -178.055 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 74.3 m-20 -65.79 -39.13 90.65 Favored 'General case' 0 C--O 1.216 -0.668 0 CA-C-N 116.505 -0.316 . . . . 25.0 110.184 -179.551 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 44.3 t -61.68 -45.5 93.72 Favored 'General case' 0 C--O 1.24 0.564 0 CA-C-O 121.602 0.715 . . . . 25.0 110.788 177.007 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 17.5 mm-40 -65.47 -24.34 67.14 Favored 'General case' 0 N--CA 1.474 0.769 0 N-CA-C 113.341 0.867 . . . . 25.0 113.341 -178.23 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 56.1 p -115.29 5.97 14.82 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 113.264 0.839 . . . . 25.0 113.264 -175.183 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -49.02 -66.97 0.31 Allowed 'General case' 0 N--CA 1.478 0.974 0 N-CA-C 113.781 1.03 . . . . 25.0 113.781 -174.586 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 8.8 p -70.09 -27.94 34.28 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 CA-C-O 121.241 0.544 . . . . 25.0 110.279 -178.131 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.1 tm0? -62.53 -49.72 74.2 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.222 -0.444 . . . . 25.0 111.647 -178.151 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 20.7 m-30 -81.63 -20.55 39.45 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.327 -0.397 . . . . 25.0 110.417 178.088 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.513 ' HA ' HD11 ' A' ' 38' ' ' ILE . 57.4 tt0 -59.93 -41.0 90.8 Favored 'General case' 0 C--O 1.218 -0.577 0 C-N-CA 120.276 -0.57 . . . . 25.0 112.368 176.432 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 90.7 mm-40 -69.97 -34.13 72.99 Favored 'General case' 0 C--O 1.216 -0.679 0 CA-C-N 118.373 0.533 . . . . 25.0 111.288 179.74 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 78.7 t80 -67.61 -40.02 84.74 Favored 'General case' 0 C--N 1.318 -0.788 0 O-C-N 121.849 -0.532 . . . . 25.0 110.195 176.175 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.486 ' HA ' HD23 ' A' ' 37' ' ' LEU . . . -62.98 -37.77 88.48 Favored 'General case' 0 CA--C 1.547 0.832 0 CA-C-O 121.594 0.712 . . . . 25.0 109.34 178.729 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.85 -26.91 67.87 Favored 'General case' 0 C--N 1.321 -0.637 0 O-C-N 121.699 -0.626 . . . . 25.0 111.071 178.402 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -83.14 -9.99 58.89 Favored 'General case' 0 N--CA 1.48 1.066 0 N-CA-C 112.497 0.555 . . . . 25.0 112.497 -179.855 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 9.4 mm-40 -103.29 -48.44 4.01 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 115.311 -0.859 . . . . 25.0 110.33 178.002 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -121.18 66.46 15.82 Favored Pre-proline 0 C--O 1.259 1.602 0 CA-C-O 121.744 0.783 . . . . 25.0 111.009 -178.807 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -68.95 138.58 40.81 Favored 'Trans proline' 0 C--O 1.219 -0.456 0 C-N-CA 116.056 -2.163 . . . . 25.0 111.343 -179.941 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 89.67 -7.73 81.26 Favored Glycine 0 CA--C 1.521 0.42 0 N-CA-C 114.64 0.616 . . . . 25.0 114.64 -179.947 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 19.6 m120 -120.41 82.7 1.94 Allowed 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 118.092 0.946 . . . . 25.0 111.609 -178.331 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 50.5 t80 -51.09 -45.74 61.59 Favored 'General case' 0 N--CA 1.471 0.575 0 N-CA-C 112.742 0.645 . . . . 25.0 112.742 179.538 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -65.18 -43.62 91.07 Favored 'General case' 0 C--N 1.328 -0.35 0 O-C-N 121.874 -0.516 . . . . 25.0 111.996 -176.97 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 88.1 mm-40 -67.88 -33.99 75.8 Favored 'General case' 0 C--O 1.22 -0.5 0 O-C-N 121.482 -0.761 . . . . 25.0 111.329 178.893 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 69.5 mt-30 -58.7 -37.67 76.59 Favored 'General case' 0 C--O 1.22 -0.458 0 CA-C-N 115.767 -0.651 . . . . 25.0 110.739 173.841 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -74.17 -36.73 64.08 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.847 0.832 . . . . 25.0 109.784 -177.304 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 95.5 mt -63.34 -41.39 92.58 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.591 0 CA-C-N 116.157 -0.474 . . . . 25.0 110.007 177.1 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.486 HD23 ' HA ' ' A' ' 23' ' ' ALA . 43.2 tp -60.41 -46.9 88.34 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.997 -0.281 . . . . 25.0 110.305 179.994 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.513 HD11 ' HA ' ' A' ' 20' ' ' GLN . 73.8 mt -59.38 -40.69 82.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 N-CA-C 113.607 0.965 . . . . 25.0 113.607 176.118 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 52.7 ttp180 -55.61 -40.43 72.06 Favored 'General case' 0 C--O 1.217 -0.614 0 CA-C-N 116.173 -0.467 . . . . 25.0 109.969 177.202 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 19.6 mm100 -77.81 -34.84 51.9 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 113.116 0.784 . . . . 25.0 113.116 178.716 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 85.9 mt -64.48 -42.42 95.89 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 120.606 -0.438 . . . . 25.0 110.823 179.725 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 -68.0 -28.68 67.63 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 121.048 -0.261 . . . . 25.0 110.754 -175.268 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -63.11 -43.72 97.66 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.176 -0.466 . . . . 25.0 110.56 175.618 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 44.6 tt0 -75.9 -35.49 59.8 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-O 121.294 0.569 . . . . 25.0 110.452 -177.579 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 64.2 m80 -70.23 -22.3 62.92 Favored 'General case' 0 N--CA 1.486 1.362 0 O-C-N 120.673 -1.267 . . . . 25.0 110.822 178.709 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 48.1 t80 -63.18 -34.84 78.51 Favored 'General case' 0 CA--C 1.514 -0.411 0 O-C-N 121.322 -0.861 . . . . 25.0 109.965 176.671 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -64.97 -42.68 94.35 Favored 'General case' 0 CA--C 1.506 -0.714 0 CA-C-N 115.176 -0.92 . . . . 25.0 110.593 178.655 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 39.2 tt0 -62.05 -41.51 98.21 Favored 'General case' 0 C--O 1.242 0.699 0 CA-C-O 122.322 1.058 . . . . 25.0 110.194 179.377 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 45.7 t80 -65.3 -39.62 92.74 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.617 -0.719 . . . . 25.0 110.024 179.405 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.46 -37.58 88.02 Favored 'General case' 0 N--CA 1.474 0.725 0 CA-C-N 115.895 -0.593 . . . . 25.0 109.681 177.163 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 67.0 tp60 -63.4 -43.29 97.96 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 109.589 -0.522 . . . . 25.0 109.589 179.026 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 68.9 tp60 -66.72 -39.29 87.95 Favored 'General case' 0 N--CA 1.449 -0.499 0 O-C-N 121.69 -0.631 . . . . 25.0 111.58 -179.872 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 32.9 mt -63.47 -31.88 73.17 Favored 'General case' 0 C--O 1.213 -0.825 0 C-N-CA 122.72 0.408 . . . . 25.0 111.624 179.295 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -70.31 -35.79 73.9 Favored 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 109.756 -0.461 . . . . 25.0 109.756 -178.176 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -67.7 -37.72 82.67 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-O 121.405 0.621 . . . . 25.0 109.451 177.473 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 77.8 t -68.76 -38.97 79.54 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 N-CA-C 109.333 -0.617 . . . . 25.0 109.333 178.542 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 -59.44 -50.27 74.57 Favored 'General case' 0 C--O 1.211 -0.943 0 CA-C-O 119.077 -0.487 . . . . 25.0 110.082 177.389 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 71.7 mt -63.7 -38.56 91.57 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 118.29 0.496 . . . . 25.0 111.496 -179.741 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -57.42 -42.82 83.11 Favored 'General case' 0 CA--C 1.512 -0.507 0 N-CA-C 109.993 -0.373 . . . . 25.0 109.993 178.983 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 67.2 mt-30 -71.23 -28.94 64.55 Favored 'General case' 0 CA--C 1.547 0.839 0 N-CA-C 112.52 0.563 . . . . 25.0 112.52 178.89 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 63.6 mt-30 -67.75 -40.21 84.13 Favored 'General case' 0 N--CA 1.47 0.549 0 O-C-N 121.27 -0.894 . . . . 25.0 109.749 171.921 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -65.62 -35.58 81.22 Favored 'General case' 0 C--O 1.249 1.029 0 CA-C-O 121.709 0.766 . . . . 25.0 110.249 177.483 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -66.26 -32.39 73.78 Favored 'General case' 0 CA--C 1.552 1.027 0 CA-C-N 115.036 -0.984 . . . . 25.0 110.028 179.45 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -82.21 -25.73 33.94 Favored 'General case' 0 C--O 1.207 -1.152 0 N-CA-C 109.918 -0.401 . . . . 25.0 109.918 179.563 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 31.1 mt -80.64 -44.24 19.17 Favored 'General case' 0 N--CA 1.448 -0.541 0 N-CA-C 112.438 0.533 . . . . 25.0 112.438 -176.981 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 12.0 mm100 48.68 28.79 1.94 Allowed 'General case' 0 C--O 1.213 -0.854 0 C-N-CA 123.875 0.87 . . . . 25.0 112.75 -177.632 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 6.0 tmtt? -119.7 18.65 12.64 Favored 'General case' 0 C--O 1.212 -0.896 0 O-C-N 121.85 -0.531 . . . . 25.0 109.976 -177.328 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 -127.48 63.68 1.35 Allowed 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.557 -0.747 . . . . 25.0 110.301 -175.897 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 67.9 mt-30 . . . . . 0 CA--C 1.561 1.375 0 CA-C-O 127.929 3.728 . . . . 25.0 111.647 -178.64 . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.3 ttp . . . . . 0 N--CA 1.51 2.567 0 CA-C-O 123.9 1.809 . . . . 25.0 114.881 . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 57.09 21.88 6.86 Favored 'General case' 0 CA--C 1.57 1.713 0 O-C-N 120.335 -1.478 . . . . 25.0 114.004 -177.149 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -85.89 64.08 8.4 Favored 'General case' 0 N--CA 1.432 -1.337 0 O-C-N 120.583 -1.323 . . . . 25.0 110.193 176.237 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 38.7 ttmt -51.4 -40.17 58.73 Favored 'General case' 0 C--O 1.218 -0.59 0 N-CA-C 114.221 1.193 . . . . 25.0 114.221 -178.537 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 80.7 mt-30 -67.93 -31.84 71.87 Favored 'General case' 0 C--N 1.316 -0.883 0 O-C-N 120.772 -1.205 . . . . 25.0 109.814 -174.151 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 83.2 mt-30 -71.48 -37.19 71.33 Favored 'General case' 0 C--O 1.199 -1.567 0 C-N-CA 120.444 -0.502 . . . . 25.0 111.733 178.545 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 30.3 mt -67.56 -40.69 84.76 Favored 'Isoleucine or valine' 0 C--O 1.262 1.717 0 N-CA-C 108.952 -0.759 . . . . 25.0 108.952 178.078 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.8 mmt -67.36 -36.49 81.49 Favored 'General case' 0 C--N 1.309 -1.162 0 O-C-N 124.183 0.927 . . . . 25.0 111.585 -178.795 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.48 -41.14 84.61 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-O 122.498 1.142 . . . . 25.0 108.847 177.455 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.96 -50.16 51.58 Favored 'General case' 0 N--CA 1.469 0.478 0 O-C-N 121.564 -0.71 . . . . 25.0 111.117 -178.973 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 87.8 mt -62.27 -33.65 75.03 Favored 'General case' 0 C--O 1.202 -1.409 0 CA-C-O 120.707 0.289 . . . . 25.0 110.459 178.18 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -69.43 -33.2 72.61 Favored 'General case' 0 N--CA 1.485 1.293 0 O-C-N 120.397 -1.439 . . . . 25.0 108.542 -179.636 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 73.3 m -68.83 -44.04 74.29 Favored 'General case' 0 N--CA 1.491 1.587 0 N-CA-C 108.059 -1.089 . . . . 25.0 108.059 -178.599 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 93.2 mm-40 -70.59 -17.49 62.9 Favored 'General case' 0 C--N 1.315 -0.928 0 N-CA-C 113.938 1.088 . . . . 25.0 113.938 -177.434 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 75.7 p -121.7 -1.67 9.46 Favored 'General case' 0 C--O 1.244 0.78 0 N-CA-C 116.771 2.138 . . . . 25.0 116.771 -175.556 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.72 -63.71 1.06 Allowed 'General case' 0 N--CA 1.491 1.603 0 N-CA-C 115.049 1.499 . . . . 25.0 115.049 -175.259 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.6 p -73.62 -25.07 20.46 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.027 0 O-C-N 121.229 -0.919 . . . . 25.0 110.162 -177.937 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 15.3 tt0 -67.57 -40.01 84.91 Favored 'General case' 0 C--N 1.313 -0.994 0 O-C-N 120.322 -1.486 . . . . 25.0 109.354 -177.197 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 17.8 m-30 -84.64 -20.32 31.52 Favored 'General case' 0 C--N 1.309 -1.19 0 CA-C-N 116.022 -0.535 . . . . 25.0 110.303 -179.021 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.522 ' HA ' HD11 ' A' ' 38' ' ' ILE . 28.6 tt0 -66.24 -41.42 90.04 Favored 'General case' 0 C--N 1.29 -1.988 0 N-CA-C 109.013 -0.736 . . . . 25.0 109.013 179.85 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 54.3 mt-30 -63.68 -37.49 87.53 Favored 'General case' 0 C--O 1.207 -1.151 0 N-CA-C 108.05 -1.093 . . . . 25.0 108.05 -177.33 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 79.9 t80 -68.56 -43.02 77.5 Favored 'General case' 0 CA--C 1.517 -0.294 0 N-CA-C 112.512 0.56 . . . . 25.0 112.512 176.773 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.52 -36.7 85.06 Favored 'General case' 0 C--O 1.248 1.017 0 N-CA-C 108.917 -0.772 . . . . 25.0 108.917 -179.653 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.35 -23.64 65.63 Favored 'General case' 0 C--N 1.319 -0.744 0 C-N-CA 118.732 -1.187 . . . . 25.0 112.813 176.471 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 19.6 tt0 -82.14 -27.12 32.94 Favored 'General case' 0 CA--C 1.557 1.221 0 N-CA-C 108.399 -0.963 . . . . 25.0 108.399 -178.555 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 74.0 mm-40 -84.99 -50.14 7.72 Favored 'General case' 0 N--CA 1.499 2.023 0 N-CA-C 113.618 0.97 . . . . 25.0 113.618 178.893 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 25.5 m-85 -119.45 69.47 11.45 Favored Pre-proline 0 N--CA 1.477 0.89 0 N-CA-C 107.676 -1.231 . . . . 25.0 107.676 -179.961 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -69.37 140.16 43.42 Favored 'Trans proline' 0 C--O 1.209 -0.927 0 C-N-CA 116.905 -1.597 . . . . 25.0 110.62 -171.026 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 81.1 -25.11 3.7 Favored Glycine 0 N--CA 1.44 -1.058 0 CA-C-O 117.136 -1.925 . . . . 25.0 116.863 -174.796 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -96.57 83.89 3.57 Favored 'General case' 0 C--O 1.24 0.555 0 CA-C-N 120.527 2.164 . . . . 25.0 112.381 -172.98 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 21.4 t80 -54.01 -49.53 68.68 Favored 'General case' 0 CA--C 1.549 0.928 0 CA-C-O 118.694 -0.669 . . . . 25.0 110.556 -175.148 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 26.4 pt-20 -56.52 -45.6 81.0 Favored 'General case' 0 CA--C 1.552 1.034 0 CA-C-N 120.125 1.33 . . . . 25.0 111.192 -178.845 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 97.3 mm-40 -68.05 -36.79 80.46 Favored 'General case' 0 C--O 1.24 0.582 0 N-CA-C 114.557 1.318 . . . . 25.0 114.557 177.404 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 70.1 mt-30 -57.13 -38.39 73.38 Favored 'General case' 0 C--O 1.26 1.615 0 O-C-N 124.659 1.225 . . . . 25.0 110.068 175.635 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 91.3 mm-40 -69.87 -41.24 75.09 Favored 'General case' 0 N--CA 1.447 -0.598 0 C-N-CA 119.998 -0.681 . . . . 25.0 109.893 -175.806 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 70.6 mt -61.02 -42.72 94.15 Favored 'Isoleucine or valine' 0 CA--C 1.576 1.981 0 CA-C-O 122.055 0.931 . . . . 25.0 109.904 -177.777 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 42.5 tp -62.09 -49.43 75.98 Favored 'General case' 0 N--CA 1.428 -1.528 0 CA-C-O 122.185 0.993 . . . . 25.0 113.061 179.1 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.522 HD11 ' HA ' ' A' ' 20' ' ' GLN . 33.0 mt -55.09 -42.63 65.98 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 114.538 -1.21 . . . . 25.0 108.945 177.722 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 73.8 mtp180 -64.35 -37.95 89.3 Favored 'General case' 0 N--CA 1.474 0.73 0 O-C-N 121.55 -0.719 . . . . 25.0 110.033 -178.858 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -62.82 -47.61 82.66 Favored 'General case' 0 C--N 1.297 -1.684 0 O-C-N 123.171 0.294 . . . . 25.0 111.714 176.071 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 35.3 mt -62.36 -27.3 68.97 Favored 'General case' 0 CA--C 1.549 0.926 0 N-CA-C 114.58 1.326 . . . . 25.0 114.58 179.294 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 92.1 mt-30 -73.3 -36.97 66.35 Favored 'General case' 0 CA--C 1.568 1.652 0 CA-C-N 115.233 -0.894 . . . . 25.0 111.351 177.65 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -62.96 -37.87 88.84 Favored 'General case' 0 N--CA 1.492 1.631 0 CA-C-N 116.172 -0.467 . . . . 25.0 111.666 172.924 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -65.27 -44.83 86.79 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-O 122.045 0.926 . . . . 25.0 110.738 174.089 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 33.3 t-80 -59.67 -29.37 68.01 Favored 'General case' 0 N--CA 1.434 -1.234 0 N-CA-C 113.239 0.829 . . . . 25.0 113.239 175.889 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 62.6 t80 -63.24 -35.22 79.6 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 120.023 -1.673 . . . . 25.0 109.609 179.341 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 69.1 mt-30 -64.91 -40.06 94.49 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 114.904 -1.044 . . . . 25.0 110.382 176.136 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 8.2 mp0 -70.45 -34.99 73.07 Favored 'General case' 0 N--CA 1.447 -0.576 0 C-N-CA 118.029 -1.469 . . . . 25.0 109.538 179.934 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 17.8 t80 -60.03 -40.24 88.66 Favored 'General case' 0 C--O 1.211 -0.958 0 N-CA-C 113.426 0.899 . . . . 25.0 113.426 175.216 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 37.9 mmt -66.85 -36.36 82.16 Favored 'General case' 0 CA--C 1.508 -0.667 0 O-C-N 120.751 -1.218 . . . . 25.0 111.76 174.775 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 -66.49 -37.77 85.81 Favored 'General case' 0 C--O 1.258 1.544 0 O-C-N 124.578 1.174 . . . . 25.0 110.056 178.338 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 72.4 tp60 -69.96 -46.36 65.43 Favored 'General case' 0 C--N 1.307 -1.272 0 CA-C-O 118.466 -0.778 . . . . 25.0 110.387 174.856 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 47.9 mt -57.78 -35.14 70.38 Favored 'General case' 0 C--O 1.209 -1.069 0 CA-C-N 119.604 1.093 . . . . 25.0 111.23 -178.839 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -58.11 -42.13 85.05 Favored 'General case' 0 CA--C 1.55 0.964 0 N-CA-C 109.767 -0.457 . . . . 25.0 109.767 -178.377 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 52.5 mt-30 -70.81 -33.38 70.64 Favored 'General case' 0 C--N 1.297 -1.699 0 C-N-CA 123.323 0.649 . . . . 25.0 111.182 177.844 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 86.6 t -70.07 -33.58 55.7 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.729 0 N-CA-C 109.377 -0.601 . . . . 25.0 109.377 177.679 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -68.19 -45.72 72.63 Favored 'General case' 0 C--O 1.247 0.966 0 N-CA-C 107.069 -1.456 . . . . 25.0 107.069 179.945 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 24.0 mt -67.07 -32.98 74.52 Favored 'General case' 0 N--CA 1.434 -1.232 0 O-C-N 123.77 0.669 . . . . 25.0 110.702 178.351 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.45 -39.9 89.2 Favored 'General case' 0 C--O 1.253 1.281 0 O-C-N 121.969 -0.457 . . . . 25.0 110.713 173.76 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -69.15 -32.59 72.04 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-N 115.903 -0.59 . . . . 25.0 110.201 178.643 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -70.49 -46.38 63.84 Favored 'General case' 0 N--CA 1.443 -0.787 0 O-C-N 124.262 0.976 . . . . 25.0 111.361 -177.82 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -67.7 -27.27 66.68 Favored 'General case' 0 CA--C 1.569 1.675 0 C-N-CA 119.711 -0.796 . . . . 25.0 111.488 176.917 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.11 -22.3 59.53 Favored 'General case' 0 N--CA 1.496 1.859 0 C-N-CA 123.471 0.708 . . . . 25.0 110.442 -179.522 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -85.21 -30.03 24.21 Favored 'General case' 0 CA--C 1.547 0.844 0 O-C-N 124.426 1.079 . . . . 25.0 109.128 175.26 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 72.6 mt -84.81 -51.02 7.07 Favored 'General case' 0 N--CA 1.478 0.934 0 N-CA-C 113.163 0.801 . . . . 25.0 113.163 -179.542 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 16.8 mm100 48.28 45.48 20.17 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-O 122.746 1.26 . . . . 25.0 113.033 -175.808 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 12.6 mptt -108.27 3.29 23.4 Favored 'General case' 0 C--N 1.353 0.754 0 CA-C-N 113.346 -1.752 . . . . 25.0 112.191 176.906 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 86.5 mt-30 -125.07 98.29 5.61 Favored 'General case' 0 N--CA 1.489 1.496 0 CA-C-O 122.138 0.97 . . . . 25.0 109.999 173.84 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 36.7 tt0 . . . . . 0 C--O 1.186 -2.246 0 CA-C-O 125.444 2.545 . . . . 25.0 111.14 178.347 . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 85.7 mmm . . . . . 0 N--CA 1.488 1.447 0 N-CA-C 115.038 1.495 . . . . 25.0 115.038 . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 56.2 mt-30 -127.33 41.87 3.43 Favored 'General case' 0 N--CA 1.478 0.962 0 CA-C-N 113.75 -1.568 . . . . 25.0 110.182 -175.357 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 67.4 mt-30 -88.2 90.22 8.3 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 108.315 -0.994 . . . . 25.0 108.315 -179.684 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 18.1 ptmt -150.68 -34.63 0.16 Allowed 'General case' 0 CA--C 1.512 -0.509 0 N-CA-C 118.001 2.593 . . . . 25.0 118.001 -172.112 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 -62.01 -25.85 67.88 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 114.024 1.12 . . . . 25.0 114.024 179.919 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 90.6 mt-30 -66.36 -40.27 89.66 Favored 'General case' 0 C--O 1.205 -1.237 0 O-C-N 121.05 -1.031 . . . . 25.0 109.091 178.311 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 77.4 mt -64.82 -47.6 87.81 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.817 0 N-CA-C 107.016 -1.476 . . . . 25.0 107.016 -178.406 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 78.6 mtp -59.15 -46.78 87.49 Favored 'General case' 0 N--CA 1.427 -1.576 0 C-N-CA 120.186 -0.605 . . . . 25.0 111.092 -179.909 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.59 -37.75 82.39 Favored 'General case' 0 CA--C 1.555 1.146 0 N-CA-C 113.929 1.085 . . . . 25.0 113.929 -178.388 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.25 -44.88 82.46 Favored 'General case' 0 CA--C 1.497 -1.096 0 CA-C-N 116.391 -0.368 . . . . 25.0 110.299 176.897 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 98.0 mt -67.78 -41.35 83.39 Favored 'General case' 0 C--N 1.308 -1.207 0 O-C-N 124.343 1.027 . . . . 25.0 110.354 -177.946 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 96.0 m-20 -69.19 -27.76 65.78 Favored 'General case' 0 C--O 1.248 0.982 0 CA-C-N 115.857 -0.61 . . . . 25.0 110.999 -176.122 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.44 -22.86 65.49 Favored 'General case' 0 N--CA 1.483 1.213 0 N-CA-C 111.757 0.281 . . . . 25.0 111.757 -178.264 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 58.6 mm-40 -75.62 -19.86 58.92 Favored 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 112.888 0.699 . . . . 25.0 112.888 175.464 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 38.0 p -125.95 11.33 7.71 Favored 'General case' 0 N--CA 1.432 -1.343 0 CA-C-O 121.618 0.723 . . . . 25.0 112.582 -171.701 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.08 -65.06 0.62 Allowed 'General case' 0 C--O 1.248 0.992 0 C-N-CA 123.532 0.733 . . . . 25.0 111.882 -176.337 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.0 p -73.98 -25.88 20.64 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.855 0 CA-C-O 122.072 0.939 . . . . 25.0 111.796 -178.464 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 43.2 tt0 -62.81 -42.56 99.77 Favored 'General case' 0 C--O 1.216 -0.685 0 CA-C-O 121.971 0.891 . . . . 25.0 111.505 -179.903 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 18.8 m-30 -77.63 -25.84 50.05 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-O 117.532 -1.223 . . . . 25.0 111.043 177.095 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 55.5 tt0 -67.84 -45.06 75.69 Favored 'General case' 0 C--O 1.243 0.726 0 CA-C-O 121.799 0.809 . . . . 25.0 109.257 179.67 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 19.2 mm100 -64.19 -40.85 96.95 Favored 'General case' 0 N--CA 1.441 -0.904 0 CA-C-O 122.637 1.208 . . . . 25.0 110.297 178.01 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 87.1 t80 -64.44 -41.96 96.26 Favored 'General case' 0 N--CA 1.468 0.454 0 O-C-N 120.822 -1.174 . . . . 25.0 112.051 177.459 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.15 -41.37 88.14 Favored 'General case' 0 N--CA 1.434 -1.235 0 CA-C-O 119.48 -0.295 . . . . 25.0 110.872 -177.511 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.16 -26.11 65.6 Favored 'General case' 0 C--N 1.319 -0.749 0 O-C-N 125.726 1.891 . . . . 25.0 111.386 -177.737 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -75.4 -25.03 57.28 Favored 'General case' 0 CA--C 1.552 1.042 0 C-N-CA 123.517 0.727 . . . . 25.0 110.514 -179.427 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 83.2 mm-40 -95.66 -43.77 7.76 Favored 'General case' 0 CA--C 1.554 1.105 0 N-CA-C 114.221 1.193 . . . . 25.0 114.221 179.136 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -125.89 68.69 63.64 Favored Pre-proline 0 N--CA 1.47 0.54 0 CA-C-O 122.413 1.102 . . . . 25.0 111.211 -179.574 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 70.7 Cg_endo -72.07 143.54 40.54 Favored 'Trans proline' 0 CA--C 1.534 0.487 0 C-N-CA 116.567 -1.822 . . . . 25.0 112.743 -175.067 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.19 -3.43 58.16 Favored Glycine 0 C--O 1.267 2.215 0 C-N-CA 119.722 -1.227 . . . . 25.0 113.879 -176.749 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -117.35 85.12 2.27 Favored 'General case' 0 C--O 1.196 -1.753 0 CA-C-O 122.004 0.906 . . . . 25.0 111.398 176.323 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 26.4 t80 -54.94 -44.41 74.27 Favored 'General case' 0 C--O 1.21 -0.983 0 N-CA-C 113.301 0.852 . . . . 25.0 113.301 177.797 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -62.76 -42.55 99.73 Favored 'General case' 0 N--CA 1.48 1.053 0 N-CA-C 113.926 1.084 . . . . 25.0 113.926 -178.906 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 97.9 mm-40 -67.61 -34.58 77.29 Favored 'General case' 0 C--O 1.251 1.142 0 O-C-N 121.33 -0.856 . . . . 25.0 111.21 176.115 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 69.5 mt-30 -62.97 -35.91 81.73 Favored 'General case' 0 C--N 1.308 -1.222 0 CA-C-O 122.251 1.024 . . . . 25.0 110.924 178.042 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 40.5 mm-40 -70.24 -42.74 71.81 Favored 'General case' 0 C--O 1.2 -1.501 0 N-CA-C 107.675 -1.231 . . . . 25.0 107.675 179.582 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 68.6 mt -59.83 -39.94 81.32 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.518 0 CA-C-O 122.864 1.316 . . . . 25.0 109.888 -177.315 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 26.4 tp -64.59 -53.3 49.85 Favored 'General case' 0 C--O 1.206 -1.222 0 CA-C-N 114.818 -1.083 . . . . 25.0 112.086 -178.583 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 61.8 mt -53.68 -42.25 50.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 C-N-CA 123.522 0.729 . . . . 25.0 110.669 176.623 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 22.2 ttm180 -54.68 -45.61 73.94 Favored 'General case' 0 C--O 1.249 1.078 0 CA-C-N 118.116 0.417 . . . . 25.0 110.29 177.512 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 58.5 mt-30 -65.65 -40.7 92.74 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 113.804 1.038 . . . . 25.0 113.804 178.016 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 44.7 mt -65.82 -40.23 91.63 Favored 'General case' 0 CA--C 1.56 1.352 0 C-N-CA 119.308 -0.957 . . . . 25.0 109.212 -179.888 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 -61.31 -33.24 73.27 Favored 'General case' 0 C--N 1.309 -1.193 0 CA-C-N 116.122 -0.49 . . . . 25.0 112.03 175.764 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -67.53 -42.7 82.31 Favored 'General case' 0 C--N 1.316 -0.878 0 O-C-N 121.351 -0.843 . . . . 25.0 112.641 177.339 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -61.21 -49.39 77.35 Favored 'General case' 0 C--N 1.353 0.732 0 CA-C-O 121.339 0.59 . . . . 25.0 109.815 177.406 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 11.7 t60 -63.81 -38.98 93.1 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-O 118.833 -0.603 . . . . 25.0 110.937 -178.485 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 38.1 t80 -63.6 -41.8 98.3 Favored 'General case' 0 CA--C 1.505 -0.766 0 N-CA-C 113.889 1.07 . . . . 25.0 113.889 176.133 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -64.13 -34.86 79.02 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 120.229 -0.589 . . . . 25.0 111.879 177.579 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.9 tp-100 -61.14 -41.58 96.99 Favored 'General case' 0 C--N 1.314 -0.968 0 C-N-CA 120.132 -0.627 . . . . 25.0 110.39 178.308 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 28.7 t80 -72.12 -38.44 69.28 Favored 'General case' 0 C--N 1.344 0.35 0 CA-C-O 122.089 0.947 . . . . 25.0 110.408 -178.093 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 30.3 mmt -59.65 -33.58 71.72 Favored 'General case' 0 C--O 1.197 -1.666 0 CA-C-N 115.437 -0.801 . . . . 25.0 110.683 174.539 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 55.3 tt0 -67.53 -39.57 85.04 Favored 'General case' 0 CA--C 1.557 1.234 0 C-N-CA 118.465 -1.294 . . . . 25.0 110.496 -175.855 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 58.3 tt0 -59.42 -53.47 57.85 Favored 'General case' 0 C--N 1.313 -0.994 0 O-C-N 121.237 -0.915 . . . . 25.0 109.275 173.841 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.0 mt -64.56 -27.56 69.04 Favored 'General case' 0 C--O 1.198 -1.65 0 O-C-N 122.045 -0.409 . . . . 25.0 110.375 -172.576 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -60.0 -44.52 94.5 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 109.178 -0.675 . . . . 25.0 109.178 175.938 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -71.23 -40.76 70.87 Favored 'General case' 0 C--O 1.248 0.98 0 N-CA-C 108.945 -0.761 . . . . 25.0 108.945 -177.845 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 90.7 t -60.11 -38.54 77.35 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.154 0 CA-C-O 117.78 -1.105 . . . . 25.0 110.543 173.6 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 7.7 mm100 -63.65 -42.68 98.08 Favored 'General case' 0 C--O 1.208 -1.093 0 CA-C-N 120.117 1.326 . . . . 25.0 109.192 -179.822 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 93.5 mt -64.81 -46.82 80.39 Favored 'General case' 0 N--CA 1.446 -0.668 0 CA-C-O 118.561 -0.733 . . . . 25.0 109.214 178.906 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -49.71 -51.04 41.46 Favored 'General case' 0 C--O 1.253 1.281 0 N-CA-C 111.988 0.366 . . . . 25.0 111.988 176.337 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 -66.84 -32.95 74.57 Favored 'General case' 0 C--O 1.194 -1.835 0 N-CA-C 113.41 0.893 . . . . 25.0 113.41 -178.537 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -71.99 -37.08 69.92 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 119.3 0.954 . . . . 25.0 111.747 176.363 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -66.96 -35.11 79.25 Favored 'General case' 0 CA--C 1.505 -0.766 0 CA-C-N 120.061 1.3 . . . . 25.0 111.186 175.467 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.39 -34.9 74.57 Favored 'General case' 0 C--O 1.212 -0.885 0 C-N-CA 120.253 -0.579 . . . . 25.0 111.568 172.932 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -80.85 -35.97 32.07 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 120.724 -1.235 . . . . 25.0 111.581 179.928 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 63.5 mt -71.61 -23.18 61.67 Favored 'General case' 0 C--O 1.254 1.297 0 N-CA-C 113.03 0.752 . . . . 25.0 113.03 -176.513 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -106.36 31.37 5.23 Favored 'General case' 0 C--O 1.215 -0.729 0 CA-C-N 115.182 -0.917 . . . . 25.0 112.825 179.476 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -115.31 25.85 10.53 Favored 'General case' 0 N--CA 1.492 1.65 0 C-N-CA 125.559 1.543 . . . . 25.0 114.599 -175.757 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 63.8 mt-30 50.33 65.47 1.43 Allowed 'General case' 0 CA--C 1.538 0.503 0 CA-C-O 123.375 1.56 . . . . 25.0 112.368 178.883 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 4.2 pm0 . . . . . 0 C--O 1.192 -1.924 0 N-CA-C 115.808 1.781 . . . . 25.0 115.808 176.655 . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 40.8 tpp . . . . . 0 N--CA 1.477 0.89 0 CA-C-O 125.843 2.735 . . . . 25.0 114.189 . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 22.2 tm0? -103.36 -36.45 8.02 Favored 'General case' 0 C--N 1.353 0.748 0 CA-C-N 111.773 -2.467 . . . . 25.0 112.918 179.85 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -76.85 116.91 17.93 Favored 'General case' 0 N--CA 1.434 -1.249 0 C-N-CA 120.29 -0.564 . . . . 25.0 109.858 -176.133 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -116.48 -37.18 3.78 Favored 'General case' 0 C--O 1.241 0.611 0 N-CA-C 113.645 0.98 . . . . 25.0 113.645 -178.518 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 68.5 mt-30 -65.57 -30.43 71.16 Favored 'General case' 0 C--N 1.306 -1.312 0 CA-C-N 114.297 -1.32 . . . . 25.0 112.433 176.601 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 9.6 mm-40 -58.49 -39.0 78.79 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.28 -0.418 . . . . 25.0 111.965 171.997 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 56.6 mt -71.74 -40.86 70.39 Favored 'Isoleucine or valine' 0 C--N 1.351 0.664 0 N-CA-C 104.028 -2.582 . . . . 25.0 104.028 -173.611 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 61.5 mtp -64.32 -37.07 86.18 Favored 'General case' 0 CA--C 1.507 -0.689 0 N-CA-C 109.723 -0.473 . . . . 25.0 109.723 -177.107 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.15 -33.98 77.3 Favored 'General case' 0 CA--C 1.543 0.702 0 O-C-N 125.548 1.78 . . . . 25.0 110.388 177.301 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.91 -46.28 68.72 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.548 -0.751 . . . . 25.0 110.745 177.423 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 95.0 mt -63.19 -38.27 90.53 Favored 'General case' 0 C--O 1.207 -1.145 0 C-N-CA 123.745 0.818 . . . . 25.0 109.237 178.103 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -60.57 -38.3 84.12 Favored 'General case' 0 C--N 1.313 -1.018 0 CA-C-O 118.969 -0.539 . . . . 25.0 111.139 -179.951 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 14.7 t -63.46 -37.6 87.92 Favored 'General case' 0 C--O 1.205 -1.249 0 N-CA-C 112.924 0.713 . . . . 25.0 112.924 176.45 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -69.86 -31.36 69.15 Favored 'General case' 0 C--O 1.205 -1.241 0 N-CA-C 115.334 1.605 . . . . 25.0 115.334 179.204 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 72.7 p -114.8 3.9 14.79 Favored 'General case' 0 C--O 1.2 -1.524 0 N-CA-C 113.936 1.087 . . . . 25.0 113.936 -171.045 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -48.54 -64.18 0.87 Allowed 'General case' 0 CA--C 1.547 0.845 0 O-C-N 121.138 -0.976 . . . . 25.0 113.465 -173.62 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 11.3 p -76.23 -29.08 18.89 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.081 0 O-C-N 121.914 -0.491 . . . . 25.0 111.732 -179.072 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 55.9 tt0 -62.58 -45.12 94.34 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 108.106 -1.072 . . . . 25.0 108.106 -178.34 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 14.1 m-30 -75.91 -25.47 56.05 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-O 118.963 -0.541 . . . . 25.0 112.391 176.143 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -64.8 -44.19 90.72 Favored 'General case' 0 CA--C 1.569 1.692 0 C-N-CA 120.386 -0.525 . . . . 25.0 110.567 177.096 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -63.43 -40.87 98.33 Favored 'General case' 0 C--O 1.245 0.848 0 N-CA-C 113.636 0.976 . . . . 25.0 113.636 176.45 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 89.2 t80 -65.89 -41.11 91.95 Favored 'General case' 0 N--CA 1.439 -1.001 0 N-CA-C 113.161 0.8 . . . . 25.0 113.161 173.827 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -68.06 -35.59 78.47 Favored 'General case' 0 CA--C 1.559 1.312 0 CA-C-O 121.773 0.797 . . . . 25.0 111.016 -178.602 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.71 -27.14 65.68 Favored 'General case' 0 N--CA 1.476 0.872 0 O-C-N 120.786 -1.196 . . . . 25.0 113.244 173.511 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -72.76 -20.68 61.14 Favored 'General case' 0 C--O 1.244 0.794 0 N-CA-C 113.261 0.838 . . . . 25.0 113.261 175.222 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 83.1 mm-40 -99.85 -40.6 7.62 Favored 'General case' 0 N--CA 1.496 1.865 0 CA-C-O 122.773 1.273 . . . . 25.0 114.112 -177.238 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 22.8 m-85 -126.44 67.24 64.89 Favored Pre-proline 0 N--CA 1.496 1.83 0 CA-C-N 114.9 -1.046 . . . . 25.0 112.335 -179.452 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -69.0 138.43 40.2 Favored 'Trans proline' 0 CA--C 1.548 1.187 0 C-N-CA 118.591 -0.473 . . . . 25.0 113.319 -174.571 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.44 3.73 83.16 Favored Glycine 0 CA--C 1.537 1.452 0 O-C-N 120.249 -1.532 . . . . 25.0 113.238 -179.923 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -121.42 86.81 2.64 Favored 'General case' 0 N--CA 1.474 0.772 0 O-C-N 120.403 -1.645 . . . . 25.0 111.125 -179.808 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 47.0 t80 -58.74 -47.06 85.92 Favored 'General case' 0 N--CA 1.515 2.782 0 N-CA-C 113.146 0.795 . . . . 25.0 113.146 178.333 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -62.63 -38.37 89.97 Favored 'General case' 0 C--O 1.192 -1.938 0 O-C-N 121.052 -1.03 . . . . 25.0 111.967 179.766 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 97.3 mm-40 -71.55 -35.27 70.56 Favored 'General case' 0 CA--C 1.495 -1.138 0 O-C-N 120.338 -1.476 . . . . 25.0 113.397 -179.933 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 71.3 mt-30 -59.31 -40.49 86.37 Favored 'General case' 0 C--O 1.252 1.186 0 CA-C-N 114.533 -1.212 . . . . 25.0 111.195 175.687 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 63.8 mm-40 -65.7 -43.15 90.06 Favored 'General case' 0 CA--C 1.546 0.8 0 CA-C-O 121.311 0.577 . . . . 25.0 109.562 -177.936 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 93.3 mt -60.1 -45.74 95.31 Favored 'Isoleucine or valine' 0 C--O 1.248 1.019 0 N-CA-C 107.652 -1.24 . . . . 25.0 107.652 -178.916 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 34.8 tp -60.42 -47.24 86.95 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-O 118.386 -0.816 . . . . 25.0 111.897 178.598 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 61.7 mt -57.53 -40.48 75.11 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 CA-C-N 119.484 1.038 . . . . 25.0 110.274 179.887 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.2 -36.21 74.96 Favored 'General case' 0 N--CA 1.475 0.778 0 O-C-N 123.594 0.559 . . . . 25.0 110.842 178.834 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -74.26 -44.3 53.49 Favored 'General case' 0 CA--C 1.501 -0.923 0 C-N-CA 120.179 -0.608 . . . . 25.0 111.136 177.883 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 97.6 mt -60.99 -38.3 85.53 Favored 'General case' 0 N--CA 1.438 -1.052 0 C-N-CA 120.269 -0.573 . . . . 25.0 110.952 -173.978 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 34.9 mm-40 -64.14 -40.15 95.54 Favored 'General case' 0 C--O 1.222 -0.352 0 O-C-N 120.629 -1.294 . . . . 25.0 109.607 -179.612 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -77.38 -29.88 53.42 Favored 'General case' 0 N--CA 1.485 1.295 0 O-C-N 120.634 -1.291 . . . . 25.0 110.036 -176.88 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 77.4 mm-40 -68.15 -44.16 76.65 Favored 'General case' 0 N--CA 1.492 1.629 0 N-CA-C 108.047 -1.094 . . . . 25.0 108.047 179.3 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 25.7 t60 -64.1 -40.26 95.84 Favored 'General case' 0 C--O 1.249 1.037 0 CA-C-O 120.906 0.384 . . . . 25.0 110.934 173.954 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 69.8 t80 -60.83 -34.27 74.31 Favored 'General case' 0 C--O 1.241 0.642 0 N-CA-C 113.272 0.841 . . . . 25.0 113.272 -176.658 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -67.64 -43.94 79.12 Favored 'General case' 0 N--CA 1.501 2.098 0 C-N-CA 119.738 -0.785 . . . . 25.0 109.637 -179.2 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 49.6 tt0 -66.12 -37.09 84.87 Favored 'General case' 0 C--O 1.213 -0.827 0 CA-C-N 116.357 -0.383 . . . . 25.0 110.071 178.188 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 41.5 t80 -61.47 -48.32 81.67 Favored 'General case' 0 C--O 1.203 -1.369 0 C-N-CA 123.39 0.676 . . . . 25.0 109.841 175.877 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.73 -39.55 91.96 Favored 'General case' 0 C--O 1.206 -1.192 0 CA-C-N 118.72 0.691 . . . . 25.0 111.742 177.605 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -70.72 -37.71 73.53 Favored 'General case' 0 CA--C 1.554 1.124 0 N-CA-C 109.403 -0.591 . . . . 25.0 109.403 -179.795 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 7.3 tp60 -65.82 -44.71 84.76 Favored 'General case' 0 C--N 1.31 -1.134 0 N-CA-C 108.055 -1.091 . . . . 25.0 108.055 179.513 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 19.7 mt -58.61 -27.71 64.92 Favored 'General case' 0 C--O 1.201 -1.457 0 N-CA-C 113.834 1.049 . . . . 25.0 113.834 177.629 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -67.81 -40.26 83.88 Favored 'General case' 0 CA--C 1.542 0.658 0 N-CA-C 108.975 -0.75 . . . . 25.0 108.975 178.628 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 -70.94 -34.4 71.45 Favored 'General case' 0 CA--C 1.494 -1.183 0 C-N-CA 123.473 0.709 . . . . 25.0 111.041 178.468 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 83.7 t -67.75 -40.52 83.98 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 CA-C-N 115.603 -0.726 . . . . 25.0 110.427 177.762 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.11 -42.67 91.08 Favored 'General case' 0 CA--C 1.473 -1.999 0 CA-C-O 121.216 0.532 . . . . 25.0 110.495 174.658 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 75.7 mt -67.93 -35.8 79.05 Favored 'General case' 0 C--O 1.217 -0.643 0 C-N-CA 119.515 -0.874 . . . . 25.0 111.602 178.796 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.17 -36.4 81.76 Favored 'General case' 0 N--CA 1.481 1.109 0 N-CA-C 108.447 -0.946 . . . . 25.0 108.447 176.616 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -74.52 -37.1 63.18 Favored 'General case' 0 C--O 1.211 -0.922 0 O-C-N 121.251 -0.906 . . . . 25.0 111.157 -179.714 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -64.66 -46.88 80.59 Favored 'General case' 0 C--O 1.198 -1.625 0 CA-C-O 121.035 0.445 . . . . 25.0 110.406 176.769 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.62 -32.43 74.01 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 118.283 -1.367 . . . . 25.0 113.193 -178.41 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -66.31 -27.79 68.18 Favored 'General case' 0 CA--C 1.547 0.855 0 CA-C-O 121.366 0.603 . . . . 25.0 111.056 176.98 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -80.91 -35.19 32.76 Favored 'General case' 0 CA--C 1.555 1.148 0 O-C-N 120.929 -1.107 . . . . 25.0 110.39 174.985 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 59.8 mt -79.68 -38.5 33.43 Favored 'General case' 0 C--O 1.208 -1.089 0 CA-C-O 117.501 -1.237 . . . . 25.0 113.185 -174.08 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 44.18 49.64 7.65 Favored 'General case' 0 C--O 1.221 -0.398 0 CA-C-O 122.498 1.142 . . . . 25.0 112.055 -177.667 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 51.4 mttm -128.61 38.5 3.95 Favored 'General case' 0 C--O 1.256 1.398 0 CA-C-N 114.187 -1.37 . . . . 25.0 113.074 -179.79 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -84.77 74.65 10.43 Favored 'General case' 0 C--N 1.365 1.263 0 N-CA-C 107.102 -1.444 . . . . 25.0 107.102 177.637 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 . . . . . 0 C--O 1.217 -0.622 0 CA-C-O 127.043 3.306 . . . . 25.0 110.398 -172.893 . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.5 ptp . . . . . 0 N--CA 1.502 2.14 0 N-CA-C 116.732 2.123 . . . . 25.0 116.732 . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -71.07 -12.13 61.34 Favored 'General case' 0 C--N 1.369 1.42 0 CA-C-N 113.76 -1.564 . . . . 25.0 112.065 -176.986 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 65.1 mt-30 -61.8 127.25 30.54 Favored 'General case' 0 C--O 1.213 -0.852 0 N-CA-C 112.059 0.392 . . . . 25.0 112.059 -178.502 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 62.7 mttp -67.3 -32.75 73.95 Favored 'General case' 0 C--O 1.2 -1.531 0 N-CA-C 114.022 1.119 . . . . 25.0 114.022 176.076 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 28.2 tt0 -66.12 -28.98 69.21 Favored 'General case' 0 N--CA 1.439 -0.98 0 CA-C-O 119.248 -0.406 . . . . 25.0 111.325 -172.737 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 19.0 mm100 -61.2 -36.85 81.0 Favored 'General case' 0 C--O 1.211 -0.965 0 CA-C-O 118.72 -0.657 . . . . 25.0 112.209 175.077 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 35.4 mt -69.63 -46.02 76.38 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.9 0 C-N-CA 123.26 0.624 . . . . 25.0 109.91 176.32 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 73.6 mtp -65.88 -31.43 72.37 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.06 -0.973 . . . . 25.0 111.61 -177.29 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.87 -38.39 88.69 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.066 -0.716 . . . . 25.0 109.066 175.654 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.86 -44.67 72.87 Favored 'General case' 0 CA--C 1.532 0.256 0 O-C-N 121.109 -0.994 . . . . 25.0 108.51 -178.647 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 80.0 mt -63.21 -36.91 85.2 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-O 118.444 -0.789 . . . . 25.0 110.069 179.024 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -54.09 -40.18 67.01 Favored 'General case' 0 C--N 1.312 -1.045 0 CA-C-O 121.941 0.877 . . . . 25.0 111.416 172.878 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 14.8 m -75.14 -44.88 44.49 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 119.021 -1.072 . . . . 25.0 108.771 -176.566 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -67.25 -37.83 84.15 Favored 'General case' 0 C--O 1.196 -1.741 0 N-CA-C 112.927 0.714 . . . . 25.0 112.927 -173.941 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 75.3 p -106.0 11.65 31.36 Favored 'General case' 0 CA--C 1.502 -0.884 0 N-CA-C 116.225 1.935 . . . . 25.0 116.225 -175.337 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -49.84 -70.51 0.09 Allowed 'General case' 0 CA--C 1.552 1.031 0 N-CA-C 114.316 1.228 . . . . 25.0 114.316 178.601 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 4.5 p -71.58 -26.92 27.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-O 123.31 1.529 . . . . 25.0 110.442 -174.861 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 40.8 tt0 -62.23 -48.97 77.6 Favored 'General case' 0 CA--C 1.557 1.239 0 CA-C-N 113.888 -1.505 . . . . 25.0 107.072 -176.149 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 12.0 m-30 -81.75 -22.71 37.1 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 120.687 -1.258 . . . . 25.0 112.022 -179.239 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -61.76 -27.83 69.01 Favored 'General case' 0 CA--C 1.569 1.689 0 CA-C-O 122.021 0.915 . . . . 25.0 113.435 -177.903 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -58.91 -41.61 87.67 Favored 'General case' 0 C--O 1.259 1.561 0 O-C-N 120.187 -1.57 . . . . 25.0 112.162 177.072 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 72.0 t80 -74.68 -35.17 62.78 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 123.775 0.83 . . . . 25.0 112.994 173.665 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.02 -40.87 97.3 Favored 'General case' 0 C--O 1.213 -0.829 0 C-N-CA 120.774 -0.37 . . . . 25.0 110.024 -179.342 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -73.25 -25.03 60.55 Favored 'General case' 0 N--CA 1.48 1.064 0 O-C-N 124.315 1.009 . . . . 25.0 111.693 -179.66 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 66.4 tt0 -71.05 -25.94 62.87 Favored 'General case' 0 CA--C 1.564 1.518 0 O-C-N 123.744 0.652 . . . . 25.0 110.044 175.232 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 11.5 mm100 -96.46 -46.58 6.31 Favored 'General case' 0 C--N 1.313 -0.995 0 O-C-N 124.1 0.875 . . . . 25.0 112.9 -178.956 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 30.3 m-85 -120.64 70.94 18.33 Favored Pre-proline 0 CA--C 1.562 1.409 0 CA-C-O 121.392 0.615 . . . . 25.0 112.049 179.611 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -67.54 137.29 42.25 Favored 'Trans proline' 0 C--O 1.199 -1.462 0 O-C-N 119.222 -0.988 . . . . 25.0 114.375 -177.662 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 76.86 -13.73 8.38 Favored Glycine 0 CA--C 1.565 3.208 0 N-CA-C 115.94 1.136 . . . . 25.0 115.94 -176.032 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 11.8 m120 -99.53 84.83 3.03 Favored 'General case' 0 C--N 1.309 -1.19 0 O-C-N 120.644 -1.504 . . . . 25.0 109.661 -177.552 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 55.3 t80 -51.88 -48.77 63.93 Favored 'General case' 0 N--CA 1.489 1.476 0 N-CA-C 114.084 1.142 . . . . 25.0 114.084 174.297 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -61.26 -40.94 95.96 Favored 'General case' 0 C--O 1.204 -1.309 0 C-N-CA 118.408 -1.317 . . . . 25.0 112.774 -177.831 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 30.4 mm100 -69.43 -35.89 76.12 Favored 'General case' 0 C--N 1.318 -0.761 0 O-C-N 121.66 -0.65 . . . . 25.0 110.933 -178.893 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 67.8 mt-30 -60.15 -36.56 77.8 Favored 'General case' 0 CA--C 1.504 -0.815 0 CA-C-N 115.462 -0.79 . . . . 25.0 109.824 174.717 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 85.8 mm-40 -70.3 -40.3 74.34 Favored 'General case' 0 N--CA 1.487 1.399 0 N-CA-C 108.421 -0.955 . . . . 25.0 108.421 -177.306 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 84.4 mt -60.69 -42.37 91.73 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.709 0 C-N-CA 123.664 0.786 . . . . 25.0 109.044 -178.32 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 13.2 tp -67.7 -48.94 65.12 Favored 'General case' 0 C--O 1.21 -1.02 0 CA-C-N 115.29 -0.868 . . . . 25.0 110.543 -177.345 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 67.5 mt -53.76 -47.97 61.87 Favored 'Isoleucine or valine' 0 C--O 1.248 1.009 0 C-N-CA 123.484 0.713 . . . . 25.0 110.61 175.563 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 8.0 tmm_? -58.05 -40.67 81.52 Favored 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 119.836 -0.745 . . . . 25.0 110.618 175.9 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 38.5 tt0 -61.37 -46.44 90.17 Favored 'General case' 0 C--O 1.225 -0.227 0 O-C-N 119.562 -1.961 . . . . 25.0 112.901 176.127 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 47.4 mt -59.27 -42.51 91.37 Favored 'General case' 0 C--N 1.3 -1.549 0 N-CA-C 113.481 0.919 . . . . 25.0 113.481 178.721 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -65.4 -35.77 81.96 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.507 -0.77 . . . . 25.0 112.529 175.733 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 87.9 mt-10 -72.36 -33.93 67.62 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 118.813 -1.155 . . . . 25.0 109.802 -178.243 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 4.2 tp60 -66.7 -38.03 85.93 Favored 'General case' 0 CA--C 1.544 0.746 0 CA-C-O 121.824 0.821 . . . . 25.0 109.813 175.186 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 46.0 t-80 -67.86 -39.73 83.73 Favored 'General case' 0 C--O 1.21 -1.015 0 CA-C-O 122.154 0.978 . . . . 25.0 111.804 179.919 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 23.4 t80 -57.2 -31.21 65.22 Favored 'General case' 0 C--N 1.353 0.759 0 O-C-N 121.657 -0.652 . . . . 25.0 110.074 179.032 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -63.41 -44.88 93.39 Favored 'General case' 0 C--O 1.258 1.519 0 O-C-N 121.503 -0.748 . . . . 25.0 110.599 176.729 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -69.45 -32.0 70.66 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 109.131 -0.692 . . . . 25.0 109.131 178.912 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 24.8 t80 -64.69 -37.9 89.15 Favored 'General case' 0 C--O 1.256 1.43 0 CA-C-O 121.394 0.616 . . . . 25.0 111.39 176.114 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.75 -36.79 67.77 Favored 'General case' 0 CA--C 1.492 -1.26 0 CA-C-N 114.719 -1.128 . . . . 25.0 112.688 175.927 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.24 -46.11 81.91 Favored 'General case' 0 N--CA 1.471 0.605 0 O-C-N 124.494 1.121 . . . . 25.0 109.484 -177.968 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -60.77 -42.38 97.39 Favored 'General case' 0 C--N 1.32 -0.688 0 O-C-N 122.305 -0.247 . . . . 25.0 110.59 177.71 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 29.8 mt -63.19 -33.12 74.8 Favored 'General case' 0 N--CA 1.444 -0.735 0 N-CA-C 112.745 0.646 . . . . 25.0 112.745 178.592 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -63.0 -38.93 93.16 Favored 'General case' 0 C--N 1.322 -0.607 0 O-C-N 121.034 -1.041 . . . . 25.0 110.624 178.04 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 69.8 mt-30 -70.81 -32.06 69.01 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 119.834 -0.746 . . . . 25.0 109.623 176.419 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 41.9 t -73.08 -36.14 49.89 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.276 0 N-CA-C 107.09 -1.448 . . . . 25.0 107.09 -174.056 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 68.6 mt-30 -64.52 -47.31 79.35 Favored 'General case' 0 C--O 1.177 -2.717 0 CA-C-N 115.376 -0.829 . . . . 25.0 110.614 177.261 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 68.9 mt -63.19 -30.27 71.45 Favored 'General case' 0 C--N 1.293 -1.866 0 N-CA-C 113.264 0.838 . . . . 25.0 113.264 176.512 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.1 -42.8 99.67 Favored 'General case' 0 CA--C 1.5 -0.95 0 C-N-CA 120.485 -0.486 . . . . 25.0 110.233 173.412 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -69.18 -40.35 78.16 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 118.615 -1.234 . . . . 25.0 110.064 -179.801 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 43.8 mm-40 -59.2 -52.89 63.75 Favored 'General case' 0 N--CA 1.484 1.236 0 CA-C-O 121.407 0.622 . . . . 25.0 110.558 178.635 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -64.81 -27.84 69.16 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 115.105 1.52 . . . . 25.0 115.105 -176.718 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -71.99 -27.78 62.97 Favored 'General case' 0 C--N 1.307 -1.274 0 O-C-N 123.613 0.57 . . . . 25.0 110.517 176.461 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -76.84 -42.74 39.03 Favored 'General case' 0 C--O 1.218 -0.554 0 N-CA-C 108.272 -1.01 . . . . 25.0 108.272 174.796 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 47.5 mt -71.18 -32.08 68.43 Favored 'General case' 0 N--CA 1.48 1.074 0 N-CA-C 114.818 1.414 . . . . 25.0 114.818 -175.385 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 17.2 pt20 30.26 48.57 0.06 Allowed 'General case' 0 N--CA 1.492 1.672 0 C-N-CA 126.088 1.755 . . . . 25.0 113.725 -178.16 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -85.99 22.16 1.78 Allowed 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 114.267 -1.333 . . . . 25.0 112.726 -178.05 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -124.97 90.3 3.22 Favored 'General case' 0 C--O 1.208 -1.099 0 CA-C-O 123.055 1.407 . . . . 25.0 107.211 -179.558 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 47.2 tt0 . . . . . 0 C--O 1.187 -2.227 0 CA-C-O 125.315 2.483 . . . . 25.0 110.226 -178.688 . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.9 ptm . . . . . 0 N--CA 1.531 3.605 0 N-CA-C 115.912 1.819 . . . . 25.0 115.912 . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 68.2 mt-30 -126.03 33.78 4.99 Favored 'General case' 0 N--CA 1.482 1.129 0 O-C-N 119.908 -1.745 . . . . 25.0 112.428 -176.856 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 7.1 tp-100 -135.29 103.9 5.68 Favored 'General case' 0 CA--C 1.548 0.903 0 N-CA-C 113.237 0.828 . . . . 25.0 113.237 -175.006 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.14 -27.09 63.45 Favored 'General case' 0 N--CA 1.446 -0.631 0 N-CA-C 113.883 1.068 . . . . 25.0 113.883 -179.977 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -68.39 -27.32 66.11 Favored 'General case' 0 CA--C 1.505 -0.787 0 O-C-N 121.307 -0.871 . . . . 25.0 111.454 -177.952 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 -62.12 -40.35 95.61 Favored 'General case' 0 CA--C 1.559 1.314 0 N-CA-C 109.614 -0.513 . . . . 25.0 109.614 176.024 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 46.0 mt -73.87 -35.37 42.62 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.298 0 CA-C-N 115.863 -0.608 . . . . 25.0 110.379 -179.814 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 83.0 mtp -65.97 -35.35 80.34 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 119.897 -0.721 . . . . 25.0 111.673 176.98 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.26 -35.21 80.33 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 109.446 -0.576 . . . . 25.0 109.446 179.195 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.26 -49.31 64.83 Favored 'General case' 0 C--O 1.246 0.884 0 C-N-CA 120.631 -0.427 . . . . 25.0 110.146 177.086 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 94.8 mt -61.3 -30.27 70.38 Favored 'General case' 0 N--CA 1.481 1.107 0 N-CA-C 112.554 0.576 . . . . 25.0 112.554 178.693 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -64.0 -38.02 89.56 Favored 'General case' 0 CA--C 1.5 -0.951 0 N-CA-C 108.605 -0.887 . . . . 25.0 108.605 -177.677 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 15.4 t -69.08 -35.67 76.75 Favored 'General case' 0 C--O 1.223 -0.33 0 N-CA-C 111.905 0.335 . . . . 25.0 111.905 -177.661 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -72.13 -39.45 68.82 Favored 'General case' 0 C--O 1.217 -0.627 0 N-CA-C 113.363 0.875 . . . . 25.0 113.363 -178.484 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 76.5 p -109.24 11.33 25.46 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 115.527 1.677 . . . . 25.0 115.527 -170.802 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.47 -64.75 0.81 Allowed 'General case' 0 N--CA 1.478 0.972 0 O-C-N 121.52 -0.737 . . . . 25.0 111.42 -174.686 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 5.4 p -70.6 -24.32 25.16 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.831 0 O-C-N 121.579 -0.7 . . . . 25.0 110.07 -178.755 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 -64.15 -45.71 87.3 Favored 'General case' 0 C--N 1.317 -0.823 0 C-N-CA 122.876 0.47 . . . . 25.0 111.766 177.672 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 21.5 m-30 -83.84 -24.47 30.92 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 112.48 0.548 . . . . 25.0 112.48 177.553 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 46.4 tt0 -61.03 -42.57 98.72 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-O 121.329 0.585 . . . . 25.0 112.509 178.04 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 25.7 mm100 -70.69 -32.19 69.33 Favored 'General case' 0 N--CA 1.432 -1.367 0 O-C-N 121.586 -0.696 . . . . 25.0 112.599 179.045 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 37.3 t80 -71.93 -36.5 69.95 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 109.107 -0.701 . . . . 25.0 109.107 174.861 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.98 -34.15 77.76 Favored 'General case' 0 CA--C 1.497 -1.061 0 N-CA-C 108.582 -0.895 . . . . 25.0 108.582 -179.89 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.57 -26.75 68.0 Favored 'General case' 0 CA--C 1.544 0.744 0 CA-C-N 118.143 0.429 . . . . 25.0 112.07 -179.094 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -80.84 -14.39 58.08 Favored 'General case' 0 C--N 1.308 -1.209 0 N-CA-C 113.847 1.054 . . . . 25.0 113.847 178.782 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 50.7 mm-40 -103.56 -38.4 7.15 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-O 121.289 0.566 . . . . 25.0 110.542 -179.029 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 37.4 m-85 -129.08 70.54 81.69 Favored Pre-proline 0 C--O 1.247 0.949 0 CA-C-N 115.667 -0.697 . . . . 25.0 111.43 177.572 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -67.84 144.85 66.57 Favored 'Trans proline' 0 C--O 1.2 -1.386 0 C-N-CA 114.648 -3.101 . . . . 25.0 112.369 -176.641 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 82.06 -29.22 3.13 Favored Glycine 0 C--O 1.219 -0.79 0 N-CA-C 114.779 0.672 . . . . 25.0 114.779 -179.474 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -97.35 84.67 3.5 Favored 'General case' 0 CA--C 1.494 -1.192 0 O-C-N 122.074 -0.663 . . . . 25.0 111.887 -171.535 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 47.4 t80 -53.94 -44.29 70.54 Favored 'General case' 0 C--N 1.317 -0.844 0 O-C-N 124.343 1.027 . . . . 25.0 112.105 179.243 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -60.73 -43.31 98.04 Favored 'General case' 0 C--O 1.213 -0.858 0 C-N-CA 120.019 -0.672 . . . . 25.0 111.07 -179.61 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 30.6 mm100 -71.47 -36.57 71.22 Favored 'General case' 0 CA--C 1.507 -0.699 0 CA-C-O 122.183 0.992 . . . . 25.0 112.307 -179.399 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 60.1 mt-30 -56.99 -37.54 71.79 Favored 'General case' 0 N--CA 1.477 0.925 0 CA-C-O 122.099 0.952 . . . . 25.0 110.852 174.367 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 93.7 mm-40 -75.62 -37.36 59.81 Favored 'General case' 0 C--N 1.321 -0.671 0 O-C-N 121.617 -0.677 . . . . 25.0 112.552 -176.263 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 79.7 mt -60.13 -40.86 84.65 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.726 0 N-CA-C 107.404 -1.332 . . . . 25.0 107.404 175.752 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 18.2 tp -66.3 -46.88 75.42 Favored 'General case' 0 C--O 1.219 -0.523 0 CA-C-O 121.307 0.575 . . . . 25.0 112.438 -179.941 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 48.8 mt -58.47 -38.35 69.66 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 N-CA-C 108.499 -0.926 . . . . 25.0 108.499 179.148 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 5.7 tpt180 -55.2 -47.95 74.55 Favored 'General case' 0 C--O 1.244 0.793 0 CA-C-N 119.577 1.081 . . . . 25.0 110.274 177.271 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 49.7 tt0 -65.64 -43.42 89.5 Favored 'General case' 0 N--CA 1.476 0.825 0 CA-C-O 118.777 -0.63 . . . . 25.0 111.64 -179.768 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 56.5 mt -59.51 -41.59 90.27 Favored 'General case' 0 N--CA 1.48 1.041 0 N-CA-C 108.682 -0.859 . . . . 25.0 108.682 -176.251 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -69.46 -31.46 69.77 Favored 'General case' 0 C--O 1.254 1.319 0 O-C-N 121.841 -0.537 . . . . 25.0 110.556 -178.66 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -68.18 -39.26 82.57 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.314 -0.403 . . . . 25.0 110.589 178.734 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -73.89 -38.56 64.34 Favored 'General case' 0 CA--C 1.546 0.827 0 CA-C-N 116.043 -0.526 . . . . 25.0 112.085 177.511 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 41.9 t-80 -62.05 -31.68 72.12 Favored 'General case' 0 CA--C 1.554 1.101 0 N-CA-C 109.026 -0.731 . . . . 25.0 109.026 176.09 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 63.5 t80 -61.86 -35.96 79.84 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-N 118.089 0.404 . . . . 25.0 110.635 176.96 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 81.5 mt-30 -73.02 -37.51 66.89 Favored 'General case' 0 N--CA 1.48 1.061 0 O-C-N 121.568 -0.707 . . . . 25.0 111.083 -179.295 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -66.14 -39.95 90.23 Favored 'General case' 0 C--O 1.249 1.058 0 CA-C-O 121.595 0.712 . . . . 25.0 109.862 175.799 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 19.4 t80 -65.97 -43.21 88.54 Favored 'General case' 0 C--N 1.301 -1.515 0 CA-C-N 115.876 -0.602 . . . . 25.0 110.83 177.948 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.0 -42.32 99.82 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 108.707 -0.849 . . . . 25.0 108.707 179.8 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 65.3 tt0 -60.63 -44.03 96.83 Favored 'General case' 0 C--O 1.245 0.853 0 C-N-CA 118.486 -1.286 . . . . 25.0 111.749 -179.771 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 42.5 tt0 -63.07 -40.77 98.68 Favored 'General case' 0 C--O 1.218 -0.598 0 CA-C-N 118.642 0.656 . . . . 25.0 109.658 179.274 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 37.9 mt -65.78 -27.03 67.98 Favored 'General case' 0 C--O 1.21 -1.009 0 N-CA-C 112.862 0.69 . . . . 25.0 112.862 -177.985 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -68.19 -36.57 79.78 Favored 'General case' 0 N--CA 1.443 -0.807 0 CA-C-N 119.896 1.226 . . . . 25.0 108.565 174.844 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -72.9 -34.3 66.55 Favored 'General case' 0 CA--C 1.553 1.093 0 O-C-N 120.937 -1.102 . . . . 25.0 109.848 177.623 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 76.9 t -67.29 -40.81 85.67 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.593 0 N-CA-C 109.215 -0.661 . . . . 25.0 109.215 178.109 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 8.7 mm-40 -56.78 -46.59 81.42 Favored 'General case' 0 C--O 1.222 -0.354 0 O-C-N 121.228 -0.92 . . . . 25.0 109.967 177.314 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 75.2 mt -66.64 -30.68 71.01 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 120.458 -0.497 . . . . 25.0 111.315 -178.741 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -66.86 -32.68 74.12 Favored 'General case' 0 CA--C 1.546 0.797 0 O-C-N 121.495 -0.753 . . . . 25.0 110.189 175.592 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 62.7 mt-30 -78.0 -31.41 50.61 Favored 'General case' 0 C--N 1.309 -1.186 0 O-C-N 121.603 -0.686 . . . . 25.0 111.691 179.149 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -68.72 -40.23 80.04 Favored 'General case' 0 N--CA 1.443 -0.801 0 C-N-CA 120.475 -0.49 . . . . 25.0 111.446 175.751 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -70.61 -23.49 62.57 Favored 'General case' 0 CA--C 1.485 -1.531 0 C-N-CA 119.722 -0.791 . . . . 25.0 112.882 179.645 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -76.52 -17.01 59.49 Favored 'General case' 0 C--O 1.205 -1.256 0 CA-C-N 115.926 -0.579 . . . . 25.0 109.629 -179.142 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -94.11 -30.7 14.52 Favored 'General case' 0 N--CA 1.437 -1.107 0 O-C-N 123.983 0.802 . . . . 25.0 110.507 175.486 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 32.7 mt -76.05 -33.71 59.61 Favored 'General case' 0 CA--C 1.504 -0.804 0 C-N-CA 123.179 0.592 . . . . 25.0 110.298 -178.752 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 47.4 29.96 1.45 Allowed 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 114.355 1.243 . . . . 25.0 114.355 179.485 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 46.2 tttm 51.64 32.66 9.5 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 125.338 1.455 . . . . 25.0 113.348 -177.347 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 96.5 mm-40 -79.37 80.4 5.73 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 123.213 1.482 . . . . 25.0 109.979 178.751 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 46.6 tt0 . . . . . 0 C--O 1.214 -0.807 0 CA-C-O 125.002 2.334 . . . . 25.0 114.084 -177.174 . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.9 ttt . . . . . 0 CA--C 1.503 -0.836 0 CA-C-O 122.707 1.241 . . . . 25.0 113.067 . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -125.84 150.65 47.68 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 126.867 2.067 . . . . 25.0 114.882 -178.676 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 56.81 36.0 27.08 Favored 'General case' 0 C--O 1.203 -1.376 0 CA-C-O 122.98 1.371 . . . . 25.0 112.403 -177.434 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.417 ' HG2' ' H ' ' A' ' 4' ' ' LYS . 17.8 pttm -78.6 -26.87 45.49 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-N 113.477 -1.692 . . . . 25.0 113.686 -179.341 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 9.4 tm0? -70.12 -30.27 67.42 Favored 'General case' 0 N--CA 1.429 -1.514 0 CA-C-O 118.635 -0.698 . . . . 25.0 111.725 -178.994 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -59.22 -40.21 85.12 Favored 'General case' 0 N--CA 1.481 1.092 0 CA-C-O 121.807 0.813 . . . . 25.0 112.498 175.964 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 16.9 mt -66.8 -38.41 81.44 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.166 0 N-CA-C 109.123 -0.695 . . . . 25.0 109.123 177.685 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 73.8 mtp -66.01 -37.56 86.22 Favored 'General case' 0 C--O 1.212 -0.894 0 O-C-N 121.076 -1.015 . . . . 25.0 111.63 -178.678 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.87 -42.49 99.13 Favored 'General case' 0 CA--C 1.563 1.47 0 CA-C-N 115.938 -0.574 . . . . 25.0 109.539 178.215 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.8 -49.02 76.6 Favored 'General case' 0 C--O 1.255 1.352 0 N-CA-C 113.11 0.782 . . . . 25.0 113.11 176.482 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 86.2 mt -62.28 -36.19 81.33 Favored 'General case' 0 C--N 1.351 0.648 0 O-C-N 121.723 -0.61 . . . . 25.0 109.363 179.665 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 -70.37 -31.39 68.63 Favored 'General case' 0 C--O 1.203 -1.389 0 CA-C-O 122.497 1.142 . . . . 25.0 109.171 -174.541 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 51.1 m -68.42 -45.83 71.55 Favored 'General case' 0 CA--C 1.554 1.105 0 CA-C-N 115.131 -0.941 . . . . 25.0 109.974 -176.303 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -76.67 -9.4 58.64 Favored 'General case' 0 C--O 1.217 -0.625 0 N-CA-C 115.647 1.721 . . . . 25.0 115.647 -176.288 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 74.1 p -120.03 9.27 11.16 Favored 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 113.451 0.908 . . . . 25.0 113.451 176.766 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.66 -62.57 1.7 Allowed 'General case' 0 C--N 1.316 -0.885 0 CA-C-O 121.152 0.501 . . . . 25.0 112.093 -176.667 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 5.1 p -68.94 -36.39 73.76 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.071 0 CA-C-N 116.093 -0.503 . . . . 25.0 110.944 179.539 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -62.53 -44.99 94.99 Favored 'General case' 0 CA--C 1.516 -0.357 0 N-CA-C 109.188 -0.671 . . . . 25.0 109.188 -176.612 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 12.8 m-30 -76.97 -27.68 54.86 Favored 'General case' 0 C--O 1.195 -1.804 0 N-CA-C 109.016 -0.735 . . . . 25.0 109.016 -178.661 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 44.6 tt0 -60.64 -42.33 96.72 Favored 'General case' 0 C--O 1.245 0.841 0 O-C-N 121.14 -0.975 . . . . 25.0 109.004 176.509 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 33.4 mm-40 -61.12 -42.45 98.55 Favored 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 110.52 -0.178 . . . . 25.0 110.52 -179.788 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 78.8 t80 -69.91 -32.19 70.36 Favored 'General case' 0 N--CA 1.481 1.086 0 N-CA-C 115.012 1.486 . . . . 25.0 115.012 173.395 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.89 -30.88 65.85 Favored 'General case' 0 CA--C 1.547 0.856 0 O-C-N 120.342 -1.474 . . . . 25.0 108.66 -176.386 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.98 -21.41 63.24 Favored 'General case' 0 C--O 1.217 -0.645 0 C-N-CA 123.488 0.715 . . . . 25.0 110.544 176.299 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 40.5 tt0 -85.37 -10.23 56.57 Favored 'General case' 0 C--N 1.313 -0.998 0 CA-C-O 121.843 0.83 . . . . 25.0 108.999 -177.045 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 34.3 mm-40 -106.51 -47.13 3.84 Favored 'General case' 0 C--O 1.239 0.513 0 CA-C-N 115.203 -0.908 . . . . 25.0 110.23 177.587 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 31.5 m-85 -120.38 72.95 20.57 Favored Pre-proline 0 CA--C 1.557 1.237 0 CA-C-O 120.731 0.301 . . . . 25.0 110.497 179.902 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_endo -65.98 146.48 82.66 Favored 'Trans proline' 0 C--N 1.368 1.568 0 C-N-CA 115.393 -2.604 . . . . 25.0 111.522 -178.854 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 74.07 6.89 75.33 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 116.4 1.32 . . . . 25.0 116.4 174.037 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -131.33 77.53 1.78 Allowed 'General case' 0 N--CA 1.444 -0.773 0 CA-C-N 115.01 -0.595 . . . . 25.0 109.457 -177.585 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -54.2 -42.83 70.17 Favored 'General case' 0 CA--C 1.557 1.225 0 N-CA-C 108.621 -0.881 . . . . 25.0 108.621 178.28 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -56.25 -47.43 78.54 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.028 -1.045 . . . . 25.0 111.784 -179.532 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.407 ' HA ' HD12 ' A' ' 36' ' ' ILE . 27.8 mm100 -70.66 -33.4 70.9 Favored 'General case' 0 N--CA 1.439 -0.99 0 N-CA-C 113.597 0.962 . . . . 25.0 113.597 178.208 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -57.98 -37.82 74.93 Favored 'General case' 0 C--O 1.259 1.596 0 C-N-CA 120.121 -0.631 . . . . 25.0 110.617 174.018 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 59.3 mm-40 -70.22 -31.79 69.38 Favored 'General case' 0 N--CA 1.485 1.316 0 CA-C-O 123.817 1.77 . . . . 25.0 111.17 -172.893 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.407 HD12 ' HA ' ' A' ' 33' ' ' GLN . 85.5 mt -68.91 -41.9 82.19 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.99 0 CA-C-N 114.025 -1.443 . . . . 25.0 108.756 -179.34 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 33.0 tp -64.92 -46.2 82.65 Favored 'General case' 0 C--N 1.308 -1.213 0 CA-C-N 114.592 -1.186 . . . . 25.0 112.817 -177.877 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 67.6 mt -58.26 -31.27 41.95 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.917 0 CA-C-N 115.733 -0.667 . . . . 25.0 110.409 173.835 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 11.9 ttp85 -59.95 -42.45 94.09 Favored 'General case' 0 N--CA 1.434 -1.24 0 C-N-CA 118.483 -1.287 . . . . 25.0 110.639 -179.747 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 64.4 tp60 -77.01 -38.51 52.88 Favored 'General case' 0 C--O 1.242 0.684 0 CA-C-O 121.397 0.617 . . . . 25.0 110.794 -176.402 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 71.2 mt -53.91 -43.42 69.69 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 122.987 1.375 . . . . 25.0 110.156 177.978 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 99.4 mt-30 -68.56 -39.92 80.82 Favored 'General case' 0 C--O 1.275 2.422 0 O-C-N 121.415 -0.803 . . . . 25.0 111.282 -178.031 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -59.87 -44.01 94.4 Favored 'General case' 0 N--CA 1.489 1.477 0 CA-C-O 121.57 0.7 . . . . 25.0 111.577 176.525 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -68.12 -38.2 81.99 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 121.364 -0.835 . . . . 25.0 110.964 177.863 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 10.5 t60 -63.4 -34.38 77.6 Favored 'General case' 0 N--CA 1.44 -0.927 0 C-N-CA 119.718 -0.793 . . . . 25.0 111.433 175.18 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 10.4 t80 -59.2 -37.35 77.22 Favored 'General case' 0 C--O 1.218 -0.566 0 O-C-N 120.885 -1.135 . . . . 25.0 112.853 176.957 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -67.67 -40.41 84.43 Favored 'General case' 0 C--O 1.254 1.297 0 N-CA-C 108.656 -0.868 . . . . 25.0 108.656 179.454 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -65.72 -40.89 92.66 Favored 'General case' 0 N--CA 1.481 1.103 0 CA-C-O 122.28 1.038 . . . . 25.0 109.008 -179.403 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 34.2 t80 -67.58 -43.05 81.48 Favored 'General case' 0 C--N 1.3 -1.56 0 N-CA-C 107.923 -1.14 . . . . 25.0 107.923 -178.168 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.39 -36.33 75.61 Favored 'General case' 0 CA--C 1.487 -1.443 0 N-CA-C 113.535 0.939 . . . . 25.0 113.535 176.267 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 43.1 tt0 -65.56 -48.47 72.28 Favored 'General case' 0 CA--C 1.551 0.983 0 O-C-N 124.635 1.209 . . . . 25.0 110.73 177.116 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 66.8 tp60 -57.31 -48.75 78.14 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-O 122.392 1.092 . . . . 25.0 110.917 -179.892 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 46.0 mt -59.47 -29.97 68.2 Favored 'General case' 0 C--O 1.203 -1.385 0 CA-C-N 115.09 -0.959 . . . . 25.0 110.131 -178.255 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -68.66 -38.61 80.55 Favored 'General case' 0 N--CA 1.467 0.408 0 O-C-N 120.781 -1.199 . . . . 25.0 109.754 177.655 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -67.31 -38.77 85.48 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-O 122.106 0.955 . . . . 25.0 112.704 175.802 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 92.8 t -66.95 -40.32 85.4 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.289 0 O-C-N 121.022 -1.049 . . . . 25.0 109.552 177.493 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 14.0 mm-40 -55.34 -46.86 76.37 Favored 'General case' 0 CA--C 1.501 -0.928 0 O-C-N 121.903 -0.498 . . . . 25.0 110.67 176.31 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 65.9 mt -63.93 -36.23 83.27 Favored 'General case' 0 C--N 1.304 -1.396 0 CA-C-O 122.17 0.986 . . . . 25.0 111.378 178.995 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.01 -39.61 95.27 Favored 'General case' 0 C--O 1.239 0.551 0 CA-C-N 115.005 -0.998 . . . . 25.0 111.707 -179.694 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 57.4 mt-30 -75.95 -31.03 58.87 Favored 'General case' 0 N--CA 1.436 -1.16 0 CA-C-N 115.203 -0.908 . . . . 25.0 112.985 176.435 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 13.4 mm-40 -64.6 -46.6 81.95 Favored 'General case' 0 N--CA 1.48 1.062 0 CA-C-N 115.893 -0.594 . . . . 25.0 111.698 175.972 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -67.94 -28.54 67.57 Favored 'General case' 0 C--N 1.319 -0.727 0 C-N-CA 119.684 -0.806 . . . . 25.0 111.199 179.779 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.33 -32.78 72.1 Favored 'General case' 0 N--CA 1.422 -1.853 0 CA-C-O 121.081 0.467 . . . . 25.0 111.917 177.649 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -77.42 -34.99 54.53 Favored 'General case' 0 CA--C 1.499 -0.99 0 CA-C-N 115.422 -0.808 . . . . 25.0 110.061 178.136 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 43.9 mt -69.03 -44.31 72.95 Favored 'General case' 0 C--O 1.266 1.963 0 O-C-N 122.042 -0.411 . . . . 25.0 111.806 -177.64 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 34.47 50.13 0.38 Allowed 'General case' 0 N--CA 1.499 1.981 0 O-C-N 124.501 1.126 . . . . 25.0 109.561 -174.655 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 8.1 ttmt -117.93 17.33 14.2 Favored 'General case' 0 CA--C 1.548 0.883 0 N-CA-C 114.469 1.285 . . . . 25.0 114.469 -176.096 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -85.84 90.58 8.09 Favored 'General case' 0 C--O 1.201 -1.48 0 N-CA-C 104.921 -2.252 . . . . 25.0 104.921 178.741 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 24.0 pt20 . . . . . 0 N--CA 1.516 2.826 0 N-CA-C 116.922 2.193 . . . . 25.0 116.922 176.647 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 72.6 mmtt . . . . . 0 N--CA 1.469 0.522 0 N-CA-C 116.129 1.9 . . . . 25.0 116.129 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 23.1 pt20 -67.47 -22.26 65.48 Favored 'General case' 0 N--CA 1.468 0.438 0 N-CA-C 114.117 1.154 . . . . 25.0 114.117 -174.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 16.6 mm-40 -61.87 -37.12 83.37 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 121.544 0.688 . . . . 25.0 109.906 177.65 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 16.4 mt -67.61 -37.44 78.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.403 -0.817 . . . . 25.0 108.867 -178.608 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 69.7 mtp -65.81 -36.96 84.98 Favored 'General case' 0 C--O 1.223 -0.339 0 O-C-N 122.091 -0.381 . . . . 25.0 111.111 178.392 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.45 -40.81 85.39 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.229 0.538 . . . . 25.0 110.044 178.688 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.1 -46.03 82.75 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.161 0.505 . . . . 25.0 110.312 178.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 57.2 mt -63.15 -33.08 74.69 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.853 -0.612 . . . . 25.0 110.686 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -57.95 -51.08 71.12 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 110.199 -0.297 . . . . 25.0 110.199 178.137 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 19.8 m -65.3 -36.99 85.76 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 112.307 0.484 . . . . 25.0 112.307 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 20.5 mm-40 -71.39 -28.26 63.9 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.986 0.735 . . . . 25.0 112.986 -177.156 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 74.5 p -112.13 5.75 18.74 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 113.149 0.796 . . . . 25.0 113.149 -175.039 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.35 -68.64 0.16 Allowed 'General case' 0 CA--C 1.533 0.315 0 N-CA-C 113.67 0.989 . . . . 25.0 113.67 -174.528 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.9 p -70.7 -27.31 30.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 C-N-CA 120.128 -0.629 . . . . 25.0 110.619 -177.569 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 37.0 tt0 -59.76 -47.81 84.18 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 120.973 0.416 . . . . 25.0 110.339 179.353 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 16.5 m-30 -81.99 -24.69 35.31 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.477 -0.328 . . . . 25.0 111.078 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.522 ' HA ' HD11 ' A' ' 38' ' ' ILE . 46.6 tt0 -62.47 -41.22 98.62 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 122.056 -0.402 . . . . 25.0 111.077 178.35 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -62.89 -39.9 95.92 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.853 -0.425 . . . . 25.0 109.853 179.721 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 86.4 t80 -69.29 -43.26 74.2 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.039 0.447 . . . . 25.0 111.749 177.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.44 -36.91 81.7 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 122.117 -0.365 . . . . 25.0 111.253 -177.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.35 -26.07 67.11 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.542 -0.299 . . . . 25.0 111.619 179.37 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -76.65 -28.99 56.23 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.015 0.436 . . . . 25.0 110.077 178.439 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 30.1 mm100 -89.01 -44.42 10.41 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 113.06 0.763 . . . . 25.0 113.06 -176.279 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -122.47 67.12 27.37 Favored Pre-proline 0 C--O 1.241 0.654 0 CA-C-N 116.154 -0.476 . . . . 25.0 109.86 179.453 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -68.64 142.34 52.86 Favored 'Trans proline' 0 C--N 1.348 0.548 0 C-N-CA 115.761 -2.359 . . . . 25.0 111.677 -177.063 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 82.31 -15.77 27.07 Favored Glycine 0 C--O 1.223 -0.573 0 N-CA-C 114.905 0.722 . . . . 25.0 114.905 -178.623 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 8.4 m120 -109.34 84.18 1.88 Allowed 'General case' 0 CA--C 1.514 -0.441 0 CA-C-N 118.249 1.024 . . . . 25.0 109.92 -178.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 52.1 t80 -55.09 -42.28 72.64 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.648 -0.705 . . . . 25.0 110.979 178.569 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -57.71 -46.8 83.91 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 112.36 0.504 . . . . 25.0 112.36 179.225 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.433 ' HA ' HD12 ' A' ' 36' ' ' ILE . 80.9 mt-30 -72.56 -33.45 66.8 Favored 'General case' 0 CA--C 1.508 -0.667 0 O-C-N 122.128 -0.358 . . . . 25.0 111.241 -178.401 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 68.7 mt-30 -58.55 -38.17 77.27 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.201 -0.666 . . . . 25.0 109.201 175.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 95.6 mm-40 -71.63 -39.39 70.45 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-O 120.961 0.41 . . . . 25.0 111.06 -177.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.433 HD12 ' HA ' ' A' ' 33' ' ' GLN . 72.9 mt -63.13 -42.34 96.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 109.337 -0.616 . . . . 25.0 109.337 178.584 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 47.3 tp -63.04 -49.66 73.69 Favored 'General case' 0 C--O 1.22 -0.478 0 CA-C-N 116.486 -0.324 . . . . 25.0 110.79 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.522 HD11 ' HA ' ' A' ' 20' ' ' GLN . 61.4 mt -56.59 -39.78 64.74 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 CA-C-O 120.641 0.257 . . . . 25.0 110.803 179.079 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 70.4 ttt180 -57.12 -43.71 82.59 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.571 0.224 . . . . 25.0 110.99 178.533 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 47.5 tt0 -73.34 -34.64 65.76 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 111.637 0.236 . . . . 25.0 111.637 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 98.3 mt -62.34 -39.47 93.2 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 109.177 -0.675 . . . . 25.0 109.177 179.085 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -68.06 -36.26 79.57 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.517 -0.311 . . . . 25.0 111.214 179.355 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -68.9 -40.8 78.93 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.046 0.451 . . . . 25.0 110.343 179.323 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -68.86 -37.31 79.0 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 121.715 -0.615 . . . . 25.0 109.647 178.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 66.0 t-80 -62.16 -32.99 73.66 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 121.857 -0.527 . . . . 25.0 109.929 175.699 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 20.9 t80 -63.4 -34.49 77.84 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 121.69 -0.632 . . . . 25.0 111.099 178.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -65.8 -43.18 89.48 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.035 -0.728 . . . . 25.0 109.035 178.487 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 41.7 tt0 -64.35 -41.18 96.89 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.197 -0.456 . . . . 25.0 109.787 178.183 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 22.4 t80 -60.26 -39.73 87.84 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.132 0.491 . . . . 25.0 110.49 179.424 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.327 -0.403 0 O-C-N 121.868 -0.52 . . . . 25.0 111.654 179.057 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 25.5 pttm . . . . . 0 N--CA 1.48 1.07 0 N-CA-C 114.712 1.375 . . . . 25.0 114.712 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -69.93 -26.93 64.37 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 113.307 0.854 . . . . 25.0 113.307 -176.205 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 16.5 mm100 -62.62 -40.45 97.0 Favored 'General case' 0 N--CA 1.471 0.625 0 CA-C-O 121.409 0.623 . . . . 25.0 109.599 177.635 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 39.4 mt -68.41 -43.03 84.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 114.515 -1.22 . . . . 25.0 108.308 -176.536 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 75.3 mtp -63.07 -39.81 95.82 Favored 'General case' 0 C--O 1.215 -0.719 0 CA-C-N 116.305 -0.407 . . . . 25.0 110.801 177.61 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.99 -40.01 96.46 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 121.717 -0.615 . . . . 25.0 110.545 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.8 -44.1 82.15 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-O 120.985 0.421 . . . . 25.0 111.274 178.502 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 63.9 mt -64.13 -39.79 94.8 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.795 0.331 . . . . 25.0 110.364 178.712 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 66.9 m-20 -63.94 -36.21 83.22 Favored 'General case' 0 C--O 1.21 -0.986 0 N-CA-C 109.78 -0.452 . . . . 25.0 109.78 179.503 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 22.4 t -65.72 -34.68 78.76 Favored 'General case' 0 N--CA 1.469 0.512 0 O-C-N 121.728 -0.607 . . . . 25.0 111.287 179.467 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 69.0 mt-30 -73.51 -25.66 60.53 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-O 120.788 0.327 . . . . 25.0 111.782 -178.715 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 60.3 p -112.78 -3.64 14.16 Favored 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 113.723 1.009 . . . . 25.0 113.723 -172.209 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -49.46 -61.56 2.03 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 113.321 0.86 . . . . 25.0 113.321 -174.554 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.7 p -75.52 -28.99 20.39 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.577 0 CA-C-O 120.886 0.374 . . . . 25.0 111.515 -178.212 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 27.1 tt0 -64.06 -47.99 77.98 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-O 121.394 0.616 . . . . 25.0 110.751 -178.082 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 19.5 m-30 -74.59 -24.09 58.83 Favored 'General case' 0 C--O 1.215 -0.761 0 CA-C-N 116.216 -0.447 . . . . 25.0 110.255 178.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.416 ' HA ' HD11 ' A' ' 38' ' ' ILE . 19.7 tt0 -63.42 -40.11 96.29 Favored 'General case' 0 C--N 1.323 -0.582 0 O-C-N 121.818 -0.551 . . . . 25.0 111.622 178.541 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -64.86 -41.48 95.64 Favored 'General case' 0 C--O 1.218 -0.566 0 C-N-CA 120.468 -0.493 . . . . 25.0 110.218 179.008 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 62.3 t80 -65.56 -41.91 92.44 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.367 0.603 . . . . 25.0 110.554 177.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.414 ' HA ' HD23 ' A' ' 37' ' ' LEU . . . -64.75 -37.69 88.44 Favored 'General case' 0 C--N 1.317 -0.814 0 O-C-N 121.859 -0.526 . . . . 25.0 110.717 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.83 -30.33 69.71 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.794 -0.447 . . . . 25.0 109.794 179.66 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -71.49 -28.6 64.03 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.288 0.566 . . . . 25.0 110.993 179.284 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -91.96 -45.21 8.46 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.541 -0.754 . . . . 25.0 112.489 -176.175 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -122.73 67.13 29.54 Favored Pre-proline 0 C--N 1.326 -0.419 0 CA-C-N 116.191 -0.458 . . . . 25.0 111.035 179.575 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -68.08 142.34 55.86 Favored 'Trans proline' 0 C--N 1.35 0.61 0 C-N-CA 116.21 -2.06 . . . . 25.0 112.32 -178.441 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 82.11 -12.24 44.84 Favored Glycine 0 C--O 1.228 -0.249 0 N-CA-C 114.952 0.741 . . . . 25.0 114.952 -179.454 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -112.73 85.9 2.26 Favored 'General case' 0 N--CA 1.466 0.346 0 O-C-N 121.493 -1.004 . . . . 25.0 111.167 -178.374 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 24.6 t80 -54.34 -43.33 71.14 Favored 'General case' 0 C--O 1.217 -0.652 0 N-CA-C 111.903 0.334 . . . . 25.0 111.903 179.469 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 19.8 pt-20 -63.27 -43.12 98.87 Favored 'General case' 0 C--O 1.216 -0.675 0 N-CA-C 113.119 0.785 . . . . 25.0 113.119 -178.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.41 ' HA ' HD12 ' A' ' 36' ' ' ILE . 86.1 mm-40 -69.15 -36.19 77.15 Favored 'General case' 0 CA--C 1.509 -0.62 0 CA-C-O 121.365 0.602 . . . . 25.0 110.281 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -59.02 -36.67 75.36 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.082 -0.71 . . . . 25.0 109.082 175.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 93.0 mm-40 -75.04 -36.01 61.87 Favored 'General case' 0 N--CA 1.47 0.532 0 O-C-N 121.946 -0.472 . . . . 25.0 110.881 -177.133 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.41 HD12 ' HA ' ' A' ' 33' ' ' GLN . 86.0 mt -60.99 -45.24 98.91 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 N-CA-C 108.665 -0.865 . . . . 25.0 108.665 178.187 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.414 HD23 ' HA ' ' A' ' 23' ' ' ALA . 38.7 tp -62.13 -51.01 69.6 Favored 'General case' 0 C--O 1.22 -0.458 0 CA-C-N 116.583 -0.28 . . . . 25.0 111.404 179.78 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.416 HD11 ' HA ' ' A' ' 20' ' ' GLN . 71.4 mt -56.26 -42.79 74.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 N-CA-C 112.285 0.476 . . . . 25.0 112.285 -179.835 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 94.8 mtm-85 -62.52 -38.98 92.07 Favored 'General case' 0 N--CA 1.474 0.751 0 O-C-N 121.541 -0.725 . . . . 25.0 110.88 179.43 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 36.7 tp60 -64.48 -39.77 94.42 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.805 0.336 . . . . 25.0 110.181 179.543 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 82.9 mt -64.78 -42.05 95.38 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-O 121.459 0.647 . . . . 25.0 110.849 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -68.73 -35.19 76.81 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 115.787 -0.642 . . . . 25.0 111.385 -176.221 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -64.08 -43.0 96.75 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.256 0.55 . . . . 25.0 110.342 177.132 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 63.0 tp60 -69.56 -35.88 75.8 Favored 'General case' 0 CA--C 1.542 0.648 0 O-C-N 121.755 -0.59 . . . . 25.0 111.357 178.511 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 29.0 t-80 -63.77 -33.93 76.77 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.135 0.493 . . . . 25.0 110.771 177.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 32.6 t80 -61.32 -35.17 76.65 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.383 -0.371 . . . . 25.0 111.428 178.622 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -61.1 -39.61 90.61 Favored 'General case' 0 C--N 1.322 -0.618 0 O-C-N 122.247 -0.283 . . . . 25.0 111.742 178.45 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 66.3 tt0 -63.47 -42.57 98.58 Favored 'General case' 0 N--CA 1.456 -0.135 0 N-CA-C 110.013 -0.365 . . . . 25.0 110.013 179.287 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 33.0 t80 -64.04 -39.86 95.02 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-O 120.682 0.277 . . . . 25.0 111.54 178.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.457 0 C-N-CA 121.113 -0.235 . . . . 25.0 111.085 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 19.1 pttp . . . . . 0 C--O 1.215 -0.76 0 N-CA-C 115.797 1.777 . . . . 25.0 115.797 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -61.16 -28.56 69.21 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 112.893 0.701 . . . . 25.0 112.893 179.67 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -65.76 -42.78 90.47 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 121.666 0.746 . . . . 25.0 109.693 177.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 30.4 mt -69.18 -40.56 80.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 N-CA-C 108.306 -0.998 . . . . 25.0 108.306 -177.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 74.5 mtp -61.92 -42.23 98.86 Favored 'General case' 0 C--O 1.212 -0.88 0 CA-C-N 116.593 -0.276 . . . . 25.0 110.448 178.154 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.31 -39.65 91.27 Favored 'General case' 0 CA--C 1.537 0.473 0 O-C-N 121.81 -0.556 . . . . 25.0 111.073 179.308 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.71 -46.5 78.73 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 110.322 -0.251 . . . . 25.0 110.322 179.217 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 82.1 mt -63.16 -40.96 99.07 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 120.868 0.366 . . . . 25.0 111.081 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 62.0 m-20 -60.91 -34.25 74.39 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.085 -0.507 . . . . 25.0 110.859 -178.572 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 32.3 m -69.07 -30.01 68.25 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 111.854 0.316 . . . . 25.0 111.854 -179.468 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 94.7 mm-40 -75.78 -38.46 58.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.242 0.544 . . . . 25.0 111.194 -178.423 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 68.5 p -98.52 -3.6 36.14 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 114.283 1.216 . . . . 25.0 114.283 -172.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -41.01 -68.58 0.17 Allowed 'General case' 0 N--CA 1.468 0.471 0 N-CA-C 115.712 1.745 . . . . 25.0 115.712 -172.253 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 10.0 p -71.24 -29.53 36.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 C-N-CA 120.76 -0.376 . . . . 25.0 111.813 -174.786 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 8.0 tm0? -68.21 -43.13 78.72 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.493 0.663 . . . . 25.0 109.683 -178.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 10.9 m-30 -70.67 -29.62 66.01 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.041 -0.527 . . . . 25.0 109.582 177.263 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.49 ' HA ' HD11 ' A' ' 38' ' ' ILE . 47.3 tt0 -65.7 -37.74 87.3 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 122.178 -0.326 . . . . 25.0 111.106 177.158 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 87.4 mt-30 -64.25 -41.21 97.07 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 110.013 -0.365 . . . . 25.0 110.013 177.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 72.4 t80 -65.75 -43.95 87.41 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.068 0.461 . . . . 25.0 110.482 176.274 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.93 -38.21 87.58 Favored 'General case' 0 C--N 1.323 -0.584 0 O-C-N 121.989 -0.444 . . . . 25.0 111.283 -178.379 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.2 -23.31 62.93 Favored 'General case' 0 C--O 1.217 -0.61 0 CA-C-N 116.772 -0.194 . . . . 25.0 111.116 179.157 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 39.8 tt0 -76.95 -18.71 58.08 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.047 0.451 . . . . 25.0 110.175 178.193 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -100.2 -47.83 4.82 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.143 0.497 . . . . 25.0 111.459 -179.31 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -121.84 69.73 26.85 Favored Pre-proline 0 C--N 1.325 -0.484 0 CA-C-N 116.089 -0.505 . . . . 25.0 110.999 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -66.05 141.87 65.72 Favored 'Trans proline' 0 C--O 1.22 -0.383 0 C-N-CA 116.005 -2.196 . . . . 25.0 113.261 -176.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 80.87 -28.04 2.9 Favored Glycine 0 CA--C 1.523 0.538 0 N-CA-C 115.173 0.829 . . . . 25.0 115.173 -178.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -91.46 86.83 6.19 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 117.841 0.82 . . . . 25.0 110.571 -175.659 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 80.0 t80 -54.8 -45.29 74.33 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.013 -0.539 . . . . 25.0 112.265 -179.43 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -61.27 -46.4 90.49 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 121.838 -0.539 . . . . 25.0 111.847 -178.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.428 ' HA ' HD12 ' A' ' 36' ' ' ILE . 19.7 mm100 -65.77 -38.31 88.69 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 121.924 -0.485 . . . . 25.0 110.734 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -58.54 -38.4 77.71 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.014 -0.736 . . . . 25.0 109.014 177.194 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 93.5 mm-40 -73.74 -36.02 65.1 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 120.948 -0.301 . . . . 25.0 111.173 -176.465 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.428 HD12 ' HA ' ' A' ' 33' ' ' GLN . 81.9 mt -61.18 -47.32 94.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 108.142 -1.059 . . . . 25.0 108.142 176.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 31.5 tp -62.32 -46.56 88.16 Favored 'General case' 0 C--O 1.218 -0.582 0 CA-C-N 116.193 -0.458 . . . . 25.0 111.754 -178.72 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.49 HD11 ' HA ' ' A' ' 20' ' ' GLN . 52.1 mt -57.13 -42.17 79.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 122.319 -0.238 . . . . 25.0 110.499 178.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 95.5 mtm-85 -66.24 -35.66 81.01 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.151 -0.62 . . . . 25.0 111.537 178.441 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 55.6 mt-30 -65.07 -40.42 94.67 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 117.906 0.321 . . . . 25.0 110.228 176.506 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 81.9 mt -62.45 -46.66 87.5 Favored 'General case' 0 C--O 1.217 -0.656 0 N-CA-C 108.783 -0.821 . . . . 25.0 108.783 178.442 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -64.49 -34.92 79.33 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 111.976 0.361 . . . . 25.0 111.976 -177.539 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.3 tm-20 -67.06 -48.41 68.33 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.749 -0.463 . . . . 25.0 109.749 176.706 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 37.9 tp60 -63.43 -39.94 95.82 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.085 0.469 . . . . 25.0 111.241 179.738 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 87.2 m-70 -72.69 -16.92 61.67 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 121.955 -0.466 . . . . 25.0 111.583 178.642 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 65.1 t80 -68.38 -37.37 80.34 Favored 'General case' 0 C--N 1.327 -0.396 0 O-C-N 121.381 -0.824 . . . . 25.0 108.87 173.655 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 70.0 mm-40 -64.15 -42.52 96.74 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 108.757 -0.831 . . . . 25.0 108.757 177.291 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 42.5 tt0 -61.83 -41.08 97.35 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.126 -0.488 . . . . 25.0 110.458 177.116 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 35.8 t80 -63.49 -36.69 84.61 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.766 0.317 . . . . 25.0 110.802 179.685 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.323 -0.583 0 O-C-N 122.023 -0.423 . . . . 25.0 110.552 177.535 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 96.7 mttt . . . . . 0 N--CA 1.468 0.471 0 N-CA-C 114.205 1.187 . . . . 25.0 114.205 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -60.84 -31.69 71.12 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-N 119.077 0.853 . . . . 25.0 112.122 -179.051 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -55.99 -39.79 72.36 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-O 121.598 0.713 . . . . 25.0 111.258 177.173 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 29.0 mt -77.73 -43.08 29.4 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.779 0 N-CA-C 108.944 -0.761 . . . . 25.0 108.944 -178.218 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 83.7 mtp -61.82 -39.03 90.35 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.894 -0.593 . . . . 25.0 111.974 -177.774 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.17 -41.68 89.01 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-O 121.307 0.575 . . . . 25.0 111.665 179.349 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.31 -40.9 90.25 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.985 -0.552 . . . . 25.0 111.804 -179.311 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 89.0 mt -66.46 -40.67 89.51 Favored 'General case' 0 C--O 1.223 -0.314 0 CA-C-O 120.737 0.304 . . . . 25.0 110.441 177.569 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -59.0 -35.17 72.79 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 115.959 -0.564 . . . . 25.0 110.604 -177.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 36.2 t -62.83 -44.36 96.36 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 111.953 0.353 . . . . 25.0 111.953 -179.752 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 97.1 mm-40 -68.97 -30.69 69.17 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.165 0.507 . . . . 25.0 111.89 -176.151 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 41.4 p -103.81 5.29 35.87 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 113.021 0.748 . . . . 25.0 113.021 -174.681 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.72 -69.55 0.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 114.342 1.238 . . . . 25.0 114.342 -171.378 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.2 p -70.59 -26.51 28.66 Favored 'Isoleucine or valine' 0 C--O 1.237 0.396 0 CA-C-N 116.13 -0.486 . . . . 25.0 110.702 -176.307 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 48.2 tt0 -62.08 -50.63 71.2 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.331 -0.395 . . . . 25.0 110.318 178.651 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 14.8 m-30 -72.97 -28.58 62.48 Favored 'General case' 0 C--O 1.216 -0.692 0 N-CA-C 109.89 -0.411 . . . . 25.0 109.89 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.456 ' HA ' HD11 ' A' ' 38' ' ' ILE . 31.3 tt0 -63.8 -42.48 97.69 Favored 'General case' 0 C--O 1.22 -0.482 0 CA-C-N 117.997 0.362 . . . . 25.0 111.783 178.01 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 60.0 mm-40 -68.08 -41.42 81.92 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.255 -0.646 . . . . 25.0 109.255 178.412 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 77.9 t80 -59.79 -42.78 94.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.172 0.511 . . . . 25.0 111.479 177.691 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.19 -35.58 79.94 Favored 'General case' 0 C--N 1.323 -0.582 0 O-C-N 121.989 -0.444 . . . . 25.0 111.288 -178.148 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.79 -28.39 68.35 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.581 -0.526 . . . . 25.0 109.581 176.575 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 38.4 tt0 -81.38 -5.96 58.42 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 122.487 0.315 . . . . 25.0 110.719 -179.089 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 59.3 mm-40 -109.66 -47.07 3.41 Favored 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 112.615 0.598 . . . . 25.0 112.615 176.201 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -120.8 70.49 18.47 Favored Pre-proline 0 N--CA 1.466 0.342 0 CA-C-O 120.864 0.364 . . . . 25.0 110.047 179.737 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 67.7 Cg_endo -67.91 141.85 55.07 Favored 'Trans proline' 0 CA--C 1.54 0.8 0 C-N-CA 116.097 -2.135 . . . . 25.0 112.433 -179.342 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 84.88 -15.97 39.81 Favored Glycine 0 C--O 1.222 -0.656 0 N-CA-C 115.096 0.798 . . . . 25.0 115.096 -178.51 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 17.7 m120 -110.17 85.61 2.14 Favored 'General case' 0 CA--C 1.511 -0.547 0 CA-C-N 118.429 1.114 . . . . 25.0 112.115 -177.291 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 62.2 t80 -54.96 -45.07 74.89 Favored 'General case' 0 C--O 1.219 -0.521 0 CA-C-N 116.096 -0.502 . . . . 25.0 111.987 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -59.42 -45.67 90.89 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.536 -0.466 . . . . 25.0 111.926 -179.042 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 77.0 mm-40 -69.66 -35.03 74.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 121.422 -0.799 . . . . 25.0 110.775 -179.581 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -58.53 -37.75 76.29 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.559 -0.534 . . . . 25.0 109.559 176.536 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 87.5 mm-40 -72.67 -38.42 67.62 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 120.519 -0.473 . . . . 25.0 110.991 -177.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 80.1 mt -61.94 -44.14 98.49 Favored 'Isoleucine or valine' 0 C--O 1.238 0.471 0 N-CA-C 109.38 -0.6 . . . . 25.0 109.38 178.211 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 32.3 tp -62.18 -48.52 79.66 Favored 'General case' 0 C--O 1.219 -0.54 0 CA-C-N 115.839 -0.619 . . . . 25.0 111.167 179.445 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.456 HD11 ' HA ' ' A' ' 20' ' ' GLN . 58.9 mt -58.63 -40.58 79.64 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 N-CA-C 109.523 -0.547 . . . . 25.0 109.523 178.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 55.1 ttt85 -57.4 -44.77 84.84 Favored 'General case' 0 N--CA 1.474 0.725 0 O-C-N 122.013 -0.429 . . . . 25.0 110.352 177.765 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -64.95 -40.91 95.74 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 112.239 0.459 . . . . 25.0 112.239 175.264 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 95.9 mt -62.0 -42.97 99.74 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.455 -0.498 . . . . 25.0 110.706 -178.438 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 34.3 mm-40 -66.8 -39.19 87.67 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.487 0.184 . . . . 25.0 111.159 -178.626 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -67.46 -39.54 85.31 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.417 -0.586 . . . . 25.0 109.417 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 69.0 tp60 -67.63 -43.08 81.21 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 112.751 0.648 . . . . 25.0 112.751 178.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 57.5 m80 -67.11 -29.33 69.05 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 120.51 -0.476 . . . . 25.0 110.759 179.631 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 49.0 t80 -62.97 -31.45 72.57 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 112.718 0.636 . . . . 25.0 112.718 174.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 79.4 mm-40 -66.1 -36.27 82.73 Favored 'General case' 0 N--CA 1.468 0.44 0 O-C-N 121.551 -0.718 . . . . 25.0 110.558 -179.692 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 37.4 tt0 -60.92 -39.37 89.15 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.999 0.428 . . . . 25.0 110.167 176.085 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 35.7 t80 -64.77 -41.46 95.86 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.008 0.432 . . . . 25.0 110.057 178.088 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.344 0 C-N-CA 120.822 -0.351 . . . . 25.0 111.363 177.62 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 60.6 tttm . . . . . 0 N--CA 1.474 0.772 0 CA-C-O 121.071 0.463 . . . . 25.0 111.943 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.8 tm0? -60.29 -35.05 74.68 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 112.924 0.713 . . . . 25.0 112.924 -177.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -65.61 -40.72 92.95 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.422 0.63 . . . . 25.0 110.898 -178.685 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 8.8 mt -68.68 -40.38 81.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 108.491 -0.929 . . . . 25.0 108.491 -179.014 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 83.9 mtp -63.69 -37.52 87.66 Favored 'General case' 0 C--O 1.22 -0.458 0 CA-C-N 116.315 -0.402 . . . . 25.0 110.948 178.496 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.01 -37.07 83.47 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.703 0.287 . . . . 25.0 110.477 179.411 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.75 -44.56 89.7 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 110.095 -0.335 . . . . 25.0 110.095 177.684 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 90.5 mt -64.34 -38.67 91.86 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-O 120.658 0.266 . . . . 25.0 110.592 178.639 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -64.09 -39.34 93.85 Favored 'General case' 0 C--O 1.22 -0.493 0 N-CA-C 109.421 -0.585 . . . . 25.0 109.421 -179.518 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 33.4 t -63.3 -41.72 98.98 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.141 0.496 . . . . 25.0 110.759 179.444 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 91.3 mm-40 -69.67 -37.68 76.77 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.952 0.723 . . . . 25.0 112.952 -179.499 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 74.4 p -105.94 -1.19 24.36 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 116.415 2.006 . . . . 25.0 116.415 -169.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -49.32 -68.1 0.21 Allowed 'General case' 0 CA--C 1.543 0.688 0 N-CA-C 114.086 1.143 . . . . 25.0 114.086 -176.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 8.4 p -69.56 -27.99 36.02 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.452 0 O-C-N 121.951 -0.468 . . . . 25.0 110.797 -177.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 48.7 tt0 -63.5 -48.0 79.38 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.477 0.656 . . . . 25.0 110.224 -179.37 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 14.6 m-30 -76.14 -23.77 54.83 Favored 'General case' 0 C--O 1.218 -0.571 0 CA-C-N 115.978 -0.555 . . . . 25.0 110.545 -179.428 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.481 ' HA ' HD11 ' A' ' 38' ' ' ILE . 43.3 tt0 -61.77 -38.4 87.91 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 122.174 -0.329 . . . . 25.0 111.103 177.273 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -64.32 -42.72 96.18 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 121.072 0.463 . . . . 25.0 109.987 179.283 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 75.1 t80 -66.86 -40.61 87.93 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.201 0.524 . . . . 25.0 111.047 178.041 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.432 ' HA ' HD23 ' A' ' 37' ' ' LEU . . . -63.6 -38.51 91.41 Favored 'General case' 0 C--N 1.322 -0.601 0 O-C-N 121.997 -0.439 . . . . 25.0 110.625 -179.087 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.3 -25.92 64.47 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.721 -0.218 . . . . 25.0 110.638 178.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 42.9 tt0 -75.4 -23.22 57.01 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.964 0.412 . . . . 25.0 110.643 179.11 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 10.7 mm-40 -96.8 -46.95 6.05 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 116.096 -0.502 . . . . 25.0 112.32 -178.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -121.73 70.23 26.62 Favored Pre-proline 0 C--O 1.24 0.555 0 N-CA-C 109.736 -0.468 . . . . 25.0 109.736 -179.434 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_endo -66.9 139.44 51.7 Favored 'Trans proline' 0 C--O 1.221 -0.34 0 C-N-CA 116.363 -1.958 . . . . 25.0 113.133 -175.448 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 80.39 -24.54 3.57 Favored Glycine 0 CA--C 1.522 0.486 0 N-CA-C 114.989 0.756 . . . . 25.0 114.989 -178.676 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 21.4 m120 -90.24 84.62 6.09 Favored 'General case' 0 CA--C 1.512 -0.488 0 CA-C-N 118.02 0.91 . . . . 25.0 109.871 -176.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 79.7 t80 -55.17 -45.6 75.75 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.772 -0.194 . . . . 25.0 111.466 -179.156 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -58.58 -45.7 88.48 Favored 'General case' 0 C--N 1.323 -0.576 0 O-C-N 121.995 -0.441 . . . . 25.0 111.857 -179.445 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.482 ' HA ' HD12 ' A' ' 36' ' ' ILE . 97.0 mm-40 -72.56 -34.12 67.28 Favored 'General case' 0 CA--C 1.504 -0.813 0 O-C-N 121.814 -0.554 . . . . 25.0 111.165 -176.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 53.9 mt-30 -57.28 -37.51 72.5 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 108.698 -0.852 . . . . 25.0 108.698 175.317 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -75.64 -38.01 59.21 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.7 -0.4 . . . . 25.0 111.372 -177.68 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.482 HD12 ' HA ' ' A' ' 33' ' ' GLN . 65.1 mt -61.85 -40.02 85.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 N-CA-C 108.981 -0.748 . . . . 25.0 108.981 176.773 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.432 HD23 ' HA ' ' A' ' 23' ' ' ALA . 26.9 tp -65.52 -51.22 61.51 Favored 'General case' 0 C--O 1.219 -0.541 0 O-C-N 122.185 -0.322 . . . . 25.0 110.914 178.654 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.481 HD11 ' HA ' ' A' ' 20' ' ' GLN . 61.7 mt -56.88 -39.52 65.52 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 CA-C-O 120.568 0.223 . . . . 25.0 110.613 178.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 79.4 ttt180 -57.0 -41.0 77.68 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 122.006 -0.434 . . . . 25.0 111.241 177.603 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -72.9 -40.56 65.44 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.928 -0.123 . . . . 25.0 111.265 178.533 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 87.6 mt -61.04 -41.0 95.75 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-O 121.088 0.47 . . . . 25.0 110.286 -179.039 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -68.72 -34.39 75.54 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 111.928 0.344 . . . . 25.0 111.928 -178.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -71.1 -41.92 69.97 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.535 -0.542 . . . . 25.0 109.535 176.127 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 16.2 tm0? -60.66 -42.52 97.19 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.769 -0.456 . . . . 25.0 109.769 178.129 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 23.2 t-160 -61.57 -40.16 93.76 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.666 -0.494 . . . . 25.0 109.666 177.45 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 73.3 t80 -64.26 -40.45 96.02 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 121.939 -0.475 . . . . 25.0 112.176 177.211 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 91.4 mm-40 -63.21 -41.34 99.14 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.562 -0.533 . . . . 25.0 109.562 178.537 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 17.6 tm0? -63.52 -42.29 98.47 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.7 -0.481 . . . . 25.0 109.7 177.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 38.3 t80 -60.42 -40.29 90.5 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.041 0.448 . . . . 25.0 111.304 178.003 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.322 -0.588 0 O-C-N 121.932 -0.48 . . . . 25.0 111.618 179.425 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 59.4 mtpt . . . . . 0 N--CA 1.469 0.505 0 N-CA-C 114.139 1.163 . . . . 25.0 114.139 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 20.0 pt20 -63.97 -25.06 67.97 Favored 'General case' 0 C--O 1.216 -0.683 0 N-CA-C 113.83 1.048 . . . . 25.0 113.83 -178.505 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 99.4 mt-30 -66.02 -42.62 89.39 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 121.84 0.829 . . . . 25.0 109.203 178.36 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 42.3 mt -65.63 -40.66 88.63 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.814 0 CA-C-N 114.999 -1.0 . . . . 25.0 109.673 -177.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 69.7 mtp -65.22 -39.42 92.73 Favored 'General case' 0 C--O 1.223 -0.321 0 CA-C-N 115.962 -0.563 . . . . 25.0 110.278 178.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.0 -41.35 97.95 Favored 'General case' 0 CA--C 1.535 0.393 0 O-C-N 122.099 -0.376 . . . . 25.0 110.754 179.613 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.61 -48.04 76.39 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.124 0.488 . . . . 25.0 111.142 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 82.9 mt -64.89 -33.45 76.04 Favored 'General case' 0 C--O 1.221 -0.44 0 CA-C-N 115.698 -0.683 . . . . 25.0 110.831 -178.017 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 43.3 m-20 -65.97 -37.05 85.0 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.561 -0.456 . . . . 25.0 110.767 -178.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 54.6 m -66.02 -36.17 82.53 Favored 'General case' 0 C--O 1.222 -0.346 0 O-C-N 122.055 -0.403 . . . . 25.0 111.393 177.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 80.2 mt-30 -72.39 -21.16 61.32 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 112.45 0.537 . . . . 25.0 112.45 -178.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 57.5 p -114.61 0.08 13.82 Favored 'General case' 0 C--N 1.316 -0.873 0 N-CA-C 112.692 0.627 . . . . 25.0 112.692 -172.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -50.16 -66.1 0.45 Allowed 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 113.569 0.952 . . . . 25.0 113.569 -176.356 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.9 p -77.89 -27.47 15.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-O 121.481 0.658 . . . . 25.0 110.654 -179.202 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -61.97 -46.58 88.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 121.699 -0.626 . . . . 25.0 111.353 -176.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 17.4 m-30 -81.58 -19.84 41.11 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.497 -0.557 . . . . 25.0 109.497 -178.655 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.522 ' HA ' HD11 ' A' ' 38' ' ' ILE . 60.0 tt0 -64.79 -41.38 95.87 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 120.417 -0.513 . . . . 25.0 111.204 178.477 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -61.95 -40.45 95.57 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.802 -0.359 . . . . 25.0 110.131 178.716 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 71.7 t80 -67.53 -41.31 84.54 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.083 0.468 . . . . 25.0 111.354 176.543 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.423 ' HA ' HD23 ' A' ' 37' ' ' LEU . . . -61.02 -37.6 83.12 Favored 'General case' 0 N--CA 1.448 -0.569 0 O-C-N 122.178 -0.326 . . . . 25.0 111.154 -179.718 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.57 -24.72 66.39 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 111.967 0.358 . . . . 25.0 111.967 179.627 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.66 -25.05 38.51 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.794 -0.447 . . . . 25.0 109.794 -179.125 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 29.3 mm-40 -91.38 -44.31 9.23 Favored 'General case' 0 C--O 1.217 -0.648 0 N-CA-C 112.055 0.391 . . . . 25.0 112.055 -179.359 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -122.85 69.69 36.92 Favored Pre-proline 0 C--N 1.325 -0.476 0 CA-C-O 121.402 0.62 . . . . 25.0 110.482 -178.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -68.99 138.08 39.38 Favored 'Trans proline' 0 C--O 1.218 -0.504 0 C-N-CA 116.692 -1.739 . . . . 25.0 112.983 -176.038 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 84.55 -13.39 52.23 Favored Glycine 0 C--O 1.22 -0.759 0 N-CA-C 115.101 0.801 . . . . 25.0 115.101 -179.56 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -107.53 87.42 2.5 Favored 'General case' 0 CA--C 1.503 -0.846 0 O-C-N 122.084 -0.656 . . . . 25.0 111.001 -176.307 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 28.7 t80 -56.14 -43.82 78.63 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.278 -0.874 . . . . 25.0 111.102 -179.583 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -60.24 -47.37 86.29 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.5 -0.318 . . . . 25.0 111.809 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -69.51 -34.45 74.3 Favored 'General case' 0 CA--C 1.505 -0.76 0 O-C-N 121.533 -0.729 . . . . 25.0 110.798 -177.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 68.7 mt-30 -60.36 -37.32 80.34 Favored 'General case' 0 C--N 1.315 -0.923 0 N-CA-C 109.916 -0.401 . . . . 25.0 109.916 177.039 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 93.2 mm-40 -71.18 -40.12 71.42 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-O 121.643 0.735 . . . . 25.0 109.657 -178.461 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 86.1 mt -61.87 -42.72 95.71 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 N-CA-C 109.438 -0.578 . . . . 25.0 109.438 178.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.423 HD23 ' HA ' ' A' ' 23' ' ' ALA . 25.4 tp -64.02 -46.84 82.67 Favored 'General case' 0 C--O 1.221 -0.417 0 CA-C-O 120.608 0.242 . . . . 25.0 111.418 -178.426 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.522 HD11 ' HA ' ' A' ' 20' ' ' GLN . 45.7 mt -55.98 -40.19 61.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 N-CA-C 110.139 -0.319 . . . . 25.0 110.139 177.516 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 7.0 tmm_? -62.45 -41.67 98.91 Favored 'General case' 0 N--CA 1.48 1.043 0 O-C-N 121.852 -0.53 . . . . 25.0 111.46 177.165 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -62.37 -43.28 99.2 Favored 'General case' 0 C--O 1.238 0.46 0 CA-C-O 121.444 0.64 . . . . 25.0 110.973 177.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 88.8 mt -67.25 -38.88 85.9 Favored 'General case' 0 C--O 1.244 0.813 0 CA-C-N 115.643 -0.708 . . . . 25.0 110.21 -177.546 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -69.74 -34.75 74.27 Favored 'General case' 0 C--N 1.322 -0.593 0 O-C-N 122.344 -0.222 . . . . 25.0 111.165 -179.703 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -67.01 -41.0 87.43 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-O 121.492 0.663 . . . . 25.0 110.512 176.472 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 47.7 tp60 -66.88 -41.07 87.83 Favored 'General case' 0 C--N 1.318 -0.762 0 O-C-N 121.763 -0.586 . . . . 25.0 110.88 178.045 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 41.1 t-80 -64.02 -34.43 77.99 Favored 'General case' 0 N--CA 1.451 -0.42 0 O-C-N 122.14 -0.35 . . . . 25.0 111.489 177.342 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 72.3 t80 -62.17 -37.54 85.64 Favored 'General case' 0 C--O 1.241 0.625 0 C-N-CA 120.261 -0.576 . . . . 25.0 111.093 177.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 -65.34 -42.59 92.73 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.902 -0.407 . . . . 25.0 109.902 178.744 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -62.93 -43.63 98.28 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.284 -0.636 . . . . 25.0 109.284 178.301 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 39.7 t80 -60.36 -41.7 94.24 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.552 -0.295 . . . . 25.0 110.852 179.636 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 C-N-CA 120.778 -0.369 . . . . 25.0 111.447 178.543 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 55.3 mtpt . . . . . 0 N--CA 1.473 0.698 0 N-CA-C 112.245 0.461 . . . . 25.0 112.245 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 55.0 tp60 -67.2 -30.16 70.02 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 112.62 0.6 . . . . 25.0 112.62 179.434 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -63.94 -36.76 85.01 Favored 'General case' 0 CA--C 1.511 -0.539 0 CA-C-O 121.552 0.692 . . . . 25.0 109.437 178.636 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 36.4 mt -70.48 -43.81 77.65 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.92 0 CA-C-N 115.002 -0.999 . . . . 25.0 108.922 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 94.3 mmm -61.24 -35.52 77.46 Favored 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 112.343 0.497 . . . . 25.0 112.343 177.228 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.72 -41.57 78.84 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.583 -0.525 . . . . 25.0 109.583 177.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.78 -44.14 86.64 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-O 120.978 0.418 . . . . 25.0 110.064 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 94.7 mt -64.72 -30.43 71.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.454 -0.339 . . . . 25.0 111.026 179.501 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -60.05 -43.76 95.15 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 120.729 0.3 . . . . 25.0 110.431 179.118 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 24.8 m -68.7 -36.91 79.07 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 116.428 -0.351 . . . . 25.0 111.427 178.7 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -72.16 -23.99 61.37 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 113.37 0.878 . . . . 25.0 113.37 -177.484 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 72.3 p -113.71 -3.07 13.58 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 113.849 1.055 . . . . 25.0 113.849 -173.162 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -48.35 -71.2 0.07 Allowed 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 114.962 1.467 . . . . 25.0 114.962 -172.546 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.9 p -70.57 -28.59 35.15 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 CA-C-O 121.223 0.535 . . . . 25.0 110.759 -176.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -60.47 -48.32 82.29 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.409 0.623 . . . . 25.0 110.761 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 15.8 m-30 -80.31 -24.02 40.25 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.363 -0.38 . . . . 25.0 111.041 -179.255 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.495 ' HA ' HD11 ' A' ' 38' ' ' ILE . 41.4 tt0 -61.24 -39.74 91.44 Favored 'General case' 0 N--CA 1.47 0.57 0 O-C-N 121.76 -0.588 . . . . 25.0 111.321 176.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -60.76 -46.13 91.63 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 120.994 0.426 . . . . 25.0 110.281 177.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 85.2 t80 -66.35 -36.45 82.93 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 120.975 0.417 . . . . 25.0 111.818 178.417 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.504 ' HA ' HD23 ' A' ' 37' ' ' LEU . . . -64.19 -38.16 90.06 Favored 'General case' 0 C--N 1.32 -0.682 0 O-C-N 122.152 -0.343 . . . . 25.0 110.181 -178.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.39 -29.08 65.63 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 110.118 -0.327 . . . . 25.0 110.118 177.248 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 32.7 tt0 -70.58 -16.15 62.83 Favored 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 112.393 0.516 . . . . 25.0 112.393 176.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 67.7 mm-40 -106.34 -50.37 3.16 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 112.402 0.519 . . . . 25.0 112.402 178.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 16.6 m-85 -121.66 69.98 25.52 Favored Pre-proline 0 C--O 1.241 0.619 0 C-N-CA 122.364 0.266 . . . . 25.0 110.638 -176.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -68.25 141.75 53.02 Favored 'Trans proline' 0 C--N 1.351 0.691 0 C-N-CA 115.702 -2.399 . . . . 25.0 112.66 -177.497 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 85.84 -22.12 12.74 Favored Glycine 0 C--N 1.332 0.323 0 C-N-CA 121.259 -0.496 . . . . 25.0 114.067 -179.014 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 10.6 m120 -100.54 86.04 3.06 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 118.713 1.256 . . . . 25.0 111.675 -175.336 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 79.2 t80 -54.83 -47.13 74.49 Favored 'General case' 0 N--CA 1.469 0.521 0 N-CA-C 112.009 0.374 . . . . 25.0 112.009 -178.479 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -59.47 -46.08 89.82 Favored 'General case' 0 CA--C 1.543 0.708 0 O-C-N 122.156 -0.34 . . . . 25.0 111.754 -179.197 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.402 ' HA ' HD12 ' A' ' 36' ' ' ILE . 87.7 mt-30 -69.94 -33.29 71.94 Favored 'General case' 0 CA--C 1.512 -0.493 0 O-C-N 121.797 -0.564 . . . . 25.0 110.846 -177.788 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 69.3 mt-30 -60.25 -37.47 80.49 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.208 -0.664 . . . . 25.0 109.208 175.02 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 95.6 mm-40 -71.83 -39.24 69.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 122.108 -0.37 . . . . 25.0 110.369 -178.644 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.402 HD12 ' HA ' ' A' ' 33' ' ' GLN . 80.7 mt -63.27 -42.57 96.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 N-CA-C 109.096 -0.705 . . . . 25.0 109.096 178.546 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.504 HD23 ' HA ' ' A' ' 23' ' ' ALA . 36.4 tp -64.05 -48.16 77.34 Favored 'General case' 0 C--O 1.215 -0.76 0 CA-C-N 115.736 -0.665 . . . . 25.0 110.901 179.458 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.495 HD11 ' HA ' ' A' ' 20' ' ' GLN . 57.4 mt -56.68 -37.4 52.59 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 O-C-N 122.202 -0.311 . . . . 25.0 110.845 177.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.07 -47.35 86.25 Favored 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 108.285 -1.006 . . . . 25.0 108.285 177.532 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 48.6 tt0 -63.3 -40.52 97.57 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 116.486 -0.325 . . . . 25.0 111.013 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 80.0 mt -63.62 -37.06 85.88 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 122.113 -0.367 . . . . 25.0 110.706 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -69.78 -36.21 75.54 Favored 'General case' 0 C--N 1.319 -0.729 0 O-C-N 122.411 -0.181 . . . . 25.0 110.881 178.228 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 63.8 mt-10 -68.9 -35.63 77.08 Favored 'General case' 0 C--N 1.321 -0.66 0 O-C-N 122.102 -0.373 . . . . 25.0 110.107 177.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 18.0 tm0? -68.45 -44.57 74.6 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.66 -0.496 . . . . 25.0 109.66 174.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 59.7 t60 -59.43 -31.33 69.19 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.194 -0.457 . . . . 25.0 111.794 -179.54 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 32.8 t80 -57.85 -35.07 70.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.473 -0.331 . . . . 25.0 111.614 177.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 83.3 mt-30 -65.66 -44.15 87.2 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.244 -0.65 . . . . 25.0 109.244 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 28.6 tt0 -65.92 -41.55 91.24 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.996 0.427 . . . . 25.0 110.495 179.04 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 26.9 t80 -62.53 -40.37 96.58 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.45 -0.341 . . . . 25.0 111.006 178.454 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.457 0 CA-C-O 120.905 0.384 . . . . 25.0 111.872 178.224 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 19.5 ptpt . . . . . 0 N--CA 1.475 0.817 0 N-CA-C 114.287 1.217 . . . . 25.0 114.287 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 82.1 mt-30 -65.68 -27.39 68.32 Favored 'General case' 0 C--O 1.216 -0.71 0 N-CA-C 113.237 0.829 . . . . 25.0 113.237 -178.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 91.8 mt-30 -70.37 -38.59 74.77 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 120.832 -0.347 . . . . 25.0 110.222 177.453 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 42.4 mt -68.02 -42.37 85.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 N-CA-C 107.725 -1.213 . . . . 25.0 107.725 178.612 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 81.8 mmm -60.13 -42.1 94.1 Favored 'General case' 0 C--O 1.209 -1.078 0 CA-C-N 116.519 -0.309 . . . . 25.0 110.258 177.768 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.28 -39.64 91.17 Favored 'General case' 0 C--O 1.243 0.743 0 CA-C-N 118.909 0.777 . . . . 25.0 111.208 179.411 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.7 -44.91 80.41 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.067 0.461 . . . . 25.0 110.409 178.166 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 86.4 mt -64.48 -40.06 94.98 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 121.335 0.588 . . . . 25.0 110.041 179.324 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 62.6 m-20 -60.79 -38.55 85.7 Favored 'General case' 0 C--O 1.216 -0.705 0 O-C-N 121.68 -0.638 . . . . 25.0 110.413 -179.36 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 57.0 m -69.76 -41.23 75.47 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.571 -0.451 . . . . 25.0 111.699 -177.078 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -77.75 -20.46 53.4 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 113.106 0.78 . . . . 25.0 113.106 -176.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 70.8 p -105.05 2.29 29.35 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.579 0.228 . . . . 25.0 111.586 -179.688 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -47.85 -67.19 0.3 Allowed 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 114.821 1.415 . . . . 25.0 114.821 -172.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 8.4 p -71.56 -26.93 27.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 C-N-CA 120.367 -0.533 . . . . 25.0 111.037 -174.259 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 64.1 tt0 -62.25 -48.77 78.47 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.792 -0.447 . . . . 25.0 109.792 177.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 18.3 m-30 -75.65 -31.55 59.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.7 -0.227 . . . . 25.0 110.561 -179.708 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 17.0 tm0? -62.62 -48.83 77.68 Favored 'General case' 0 C--N 1.328 -0.36 0 O-C-N 122.151 -0.343 . . . . 25.0 111.611 -179.476 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -64.25 -39.64 94.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 122.101 -0.374 . . . . 25.0 110.672 -178.078 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 91.5 t80 -64.94 -43.65 92.06 Favored 'General case' 0 C--O 1.223 -0.304 0 CA-C-N 116.286 -0.416 . . . . 25.0 111.204 177.52 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.08 -38.21 90.25 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 120.117 -0.633 . . . . 25.0 110.643 -179.566 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.95 -26.68 67.69 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 110.213 -0.291 . . . . 25.0 110.213 179.081 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -78.28 -27.55 47.43 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.051 0.453 . . . . 25.0 111.945 178.343 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 96.4 mm-40 -90.17 -45.37 9.15 Favored 'General case' 0 C--O 1.214 -0.788 0 CA-C-N 115.907 -0.588 . . . . 25.0 110.527 -175.605 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 26.3 m-85 -121.7 69.26 24.57 Favored Pre-proline 0 N--CA 1.473 0.676 0 CA-C-N 116.12 -0.491 . . . . 25.0 110.021 179.621 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -68.15 138.86 44.69 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 117.236 -1.376 . . . . 25.0 112.725 -176.292 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 82.17 -15.68 26.76 Favored Glycine 0 CA--C 1.522 0.513 0 N-CA-C 115.292 0.877 . . . . 25.0 115.292 -178.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -105.46 86.62 2.44 Favored 'General case' 0 N--CA 1.475 0.824 0 CA-C-N 117.881 0.84 . . . . 25.0 112.545 -175.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 70.4 t80 -53.64 -46.67 70.62 Favored 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 113.111 0.782 . . . . 25.0 113.111 -178.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -59.52 -45.26 92.26 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 112.756 0.65 . . . . 25.0 112.756 -179.322 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 97.8 mm-40 -70.01 -35.96 74.76 Favored 'General case' 0 C--N 1.319 -0.748 0 O-C-N 121.967 -0.458 . . . . 25.0 111.106 -178.379 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 -58.77 -37.8 77.09 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.364 -0.606 . . . . 25.0 109.364 174.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 57.2 mm-40 -74.01 -35.92 64.44 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 121.182 -0.207 . . . . 25.0 110.799 -176.05 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 77.4 mt -63.0 -43.7 99.24 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 N-CA-C 109.735 -0.469 . . . . 25.0 109.735 176.028 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 24.7 tp -63.73 -49.55 72.63 Favored 'General case' 0 C--O 1.214 -0.77 0 CA-C-N 116.359 -0.382 . . . . 25.0 110.179 179.115 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 64.4 mt -56.63 -39.68 64.46 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 O-C-N 122.344 -0.222 . . . . 25.0 110.833 179.506 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 6.9 tmm_? -60.13 -43.26 95.82 Favored 'General case' 0 N--CA 1.466 0.371 0 O-C-N 121.551 -0.718 . . . . 25.0 110.231 176.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -66.44 -39.27 88.79 Favored 'General case' 0 N--CA 1.467 0.394 0 O-C-N 121.967 -0.458 . . . . 25.0 111.929 178.502 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 86.9 mt -62.47 -39.74 94.38 Favored 'General case' 0 C--O 1.214 -0.786 0 CA-C-N 117.615 0.189 . . . . 25.0 110.592 177.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -66.88 -36.13 81.61 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 122.096 0.158 . . . . 25.0 110.818 179.005 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.1 tm-20 -68.14 -44.92 74.96 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.701 -0.481 . . . . 25.0 109.701 178.123 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -63.87 -40.33 96.31 Favored 'General case' 0 C--O 1.242 0.67 0 CA-C-O 121.005 0.431 . . . . 25.0 110.668 178.353 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 81.8 t60 -64.79 -38.04 89.63 Favored 'General case' 0 CA--C 1.516 -0.354 0 CA-C-N 116.025 -0.534 . . . . 25.0 110.216 178.617 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 45.8 t80 -60.84 -40.7 93.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 121.974 -0.454 . . . . 25.0 110.757 178.544 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -63.57 -46.22 86.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.996 0.427 . . . . 25.0 109.979 178.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -62.85 -40.37 97.26 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-O 120.682 0.277 . . . . 25.0 110.893 179.216 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 61.3 t80 -63.96 -44.32 93.11 Favored 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 122.823 0.449 . . . . 25.0 111.297 178.051 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.215 -0.736 0 C-N-CA 121.101 -0.24 . . . . 25.0 110.873 179.186 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 32.9 mmtp . . . . . 0 CA--C 1.541 0.606 0 N-CA-C 112.051 0.389 . . . . 25.0 112.051 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -70.73 -26.67 63.49 Favored 'General case' 0 C--N 1.308 -1.223 0 N-CA-C 113.45 0.907 . . . . 25.0 113.45 -176.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -65.47 -36.76 84.83 Favored 'General case' 0 C--N 1.314 -0.961 0 N-CA-C 108.606 -0.887 . . . . 25.0 108.606 177.66 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 51.2 mt -68.86 -39.74 80.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 108.777 -0.823 . . . . 25.0 108.777 -177.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 74.1 mtp -61.64 -42.43 98.89 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 116.262 -0.426 . . . . 25.0 110.071 178.357 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.12 -40.07 92.4 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-O 120.895 0.378 . . . . 25.0 111.761 -178.613 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.89 -43.45 92.86 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.483 -0.326 . . . . 25.0 111.186 -178.656 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 94.4 mt -62.85 -45.14 93.97 Favored 'General case' 0 N--CA 1.48 1.069 0 O-C-N 123.422 0.451 . . . . 25.0 110.133 176.112 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 82.9 m-20 -64.44 -31.56 72.82 Favored 'General case' 0 C--O 1.212 -0.893 0 CA-C-N 115.984 -0.553 . . . . 25.0 112.179 -175.156 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 42.5 m -65.7 -36.48 83.75 Favored 'General case' 0 C--O 1.209 -1.043 0 O-C-N 122.212 -0.305 . . . . 25.0 111.247 177.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 96.6 mm-40 -73.39 -43.0 61.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.336 0.589 . . . . 25.0 110.403 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 82.2 p -93.34 11.62 27.62 Favored 'General case' 0 C--O 1.251 1.172 0 N-CA-C 113.525 0.935 . . . . 25.0 113.525 -172.29 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.99 -66.63 0.36 Allowed 'General case' 0 CA--C 1.545 0.751 0 N-CA-C 114.505 1.298 . . . . 25.0 114.505 -175.589 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.5 p -73.04 -26.14 22.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-O 121.308 0.575 . . . . 25.0 110.246 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -58.98 -50.62 73.41 Favored 'General case' 0 C--O 1.254 1.323 0 N-CA-C 109.249 -0.648 . . . . 25.0 109.249 -179.121 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 13.9 m-30 -73.48 -32.44 64.3 Favored 'General case' 0 C--N 1.315 -0.919 0 C-N-CA 120.583 -0.447 . . . . 25.0 110.293 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 66.3 tt0 -59.73 -43.95 93.97 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 113.327 0.862 . . . . 25.0 113.327 -178.346 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -66.06 -41.69 90.44 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-N 116.423 -0.353 . . . . 25.0 110.447 179.636 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 88.4 t80 -64.9 -43.05 94.13 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-O 121.228 0.537 . . . . 25.0 111.764 177.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.56 -37.64 86.95 Favored 'General case' 0 C--N 1.327 -0.384 0 O-C-N 121.943 -0.473 . . . . 25.0 110.714 179.172 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.87 -23.66 63.3 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-O 121.839 0.828 . . . . 25.0 110.244 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.24 -14.17 58.63 Favored 'General case' 0 C--O 1.21 -1.01 0 O-C-N 121.571 -0.706 . . . . 25.0 111.607 178.208 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 96.6 mm-40 -103.96 -47.11 4.28 Favored 'General case' 0 C--O 1.215 -0.723 0 CA-C-N 115.906 -0.588 . . . . 25.0 110.778 -179.668 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -120.34 70.21 16.07 Favored Pre-proline 0 C--O 1.245 0.862 0 CA-C-O 120.56 0.219 . . . . 25.0 111.356 179.029 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_endo -67.24 145.84 73.73 Favored 'Trans proline' 0 N--CA 1.454 -0.841 0 C-N-CA 116.323 -1.985 . . . . 25.0 113.201 -176.268 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 82.34 -26.83 3.81 Favored Glycine 0 N--CA 1.469 0.864 0 CA-C-N 115.677 -0.692 . . . . 25.0 114.508 179.458 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -99.83 87.55 3.55 Favored 'General case' 0 C--N 1.311 -1.071 0 CA-C-O 121.829 0.823 . . . . 25.0 111.929 -174.342 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 27.3 t80 -53.72 -43.0 68.68 Favored 'General case' 0 C--N 1.313 -1.018 0 CA-C-N 114.91 -1.041 . . . . 25.0 113.316 177.422 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -62.43 -42.84 99.75 Favored 'General case' 0 C--O 1.217 -0.638 0 O-C-N 121.086 -1.009 . . . . 25.0 113.233 179.046 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 96.0 mm-40 -68.24 -38.34 81.71 Favored 'General case' 0 CA--C 1.509 -0.604 0 CA-C-O 122.728 1.251 . . . . 25.0 110.905 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -57.68 -38.91 75.95 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 114.481 -1.236 . . . . 25.0 109.767 177.569 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 94.0 mm-40 -70.67 -37.83 73.71 Favored 'General case' 0 N--CA 1.477 0.905 0 CA-C-O 121.455 0.645 . . . . 25.0 112.073 -178.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 68.7 mt -64.42 -39.81 86.86 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.876 0 N-CA-C 109.024 -0.732 . . . . 25.0 109.024 179.507 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 26.1 tp -65.71 -45.59 82.2 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.246 0.546 . . . . 25.0 112.041 179.568 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 62.3 mt -59.57 -41.99 86.7 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.896 0 CA-C-N 116.155 -0.475 . . . . 25.0 110.769 178.437 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 65.4 ttt-85 -55.44 -38.75 69.42 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-O 120.735 0.302 . . . . 25.0 110.515 177.621 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 36.9 tt0 -72.26 -42.58 65.43 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.244 0.545 . . . . 25.0 110.228 179.661 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 88.8 mt -64.54 -37.28 87.0 Favored 'General case' 0 N--CA 1.477 0.887 0 O-C-N 121.48 -0.762 . . . . 25.0 111.166 -177.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -63.84 -40.39 96.49 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-O 121.007 0.432 . . . . 25.0 110.625 179.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -66.22 -39.58 89.68 Favored 'General case' 0 C--O 1.224 -0.261 0 C-N-CA 120.074 -0.65 . . . . 25.0 110.858 177.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -61.54 -40.77 95.88 Favored 'General case' 0 N--CA 1.481 1.092 0 N-CA-C 109.863 -0.421 . . . . 25.0 109.863 179.039 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -66.73 -38.32 86.43 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 116.234 -0.439 . . . . 25.0 109.876 178.792 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 54.3 t80 -66.61 -39.57 88.43 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.372 0.605 . . . . 25.0 110.728 179.357 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -62.85 -43.36 99.0 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-N 116.254 -0.43 . . . . 25.0 109.843 179.566 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 26.4 tt0 -60.63 -43.02 98.02 Favored 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 108.523 -0.917 . . . . 25.0 108.523 177.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 37.1 t80 -62.21 -46.73 87.59 Favored 'General case' 0 C--O 1.213 -0.849 0 CA-C-O 121.145 0.498 . . . . 25.0 110.242 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.538 0.512 0 O-C-N 121.873 -0.517 . . . . 25.0 112.014 -178.598 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 67.7 mttm . . . . . 0 N--CA 1.472 0.644 0 N-CA-C 113.631 0.974 . . . . 25.0 113.631 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 57.1 mt-30 -72.71 -23.46 60.86 Favored 'General case' 0 C--O 1.214 -0.786 0 O-C-N 121.745 -0.597 . . . . 25.0 112.519 -176.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -66.43 -36.83 83.79 Favored 'General case' 0 C--O 1.217 -0.656 0 CA-C-N 118.825 0.739 . . . . 25.0 109.31 176.243 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 37.4 mt -66.24 -43.04 91.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 N-CA-C 108.256 -1.016 . . . . 25.0 108.256 179.4 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 62.5 mtp -67.76 -29.16 68.3 Favored 'General case' 0 C--O 1.216 -0.662 0 O-C-N 121.402 -0.812 . . . . 25.0 111.835 179.598 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.43 -38.86 78.05 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.35 -0.611 . . . . 25.0 109.35 177.253 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.57 -43.3 90.2 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.017 -0.538 . . . . 25.0 110.611 178.147 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 92.0 mt -64.77 -33.45 76.01 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-O 121.252 0.549 . . . . 25.0 110.53 177.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -62.76 -40.55 97.61 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.364 -0.38 . . . . 25.0 110.392 179.291 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 38.9 t -66.27 -41.38 89.97 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 110.054 -0.35 . . . . 25.0 110.054 179.515 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -67.51 -27.55 67.09 Favored 'General case' 0 N--CA 1.468 0.432 0 N-CA-C 113.968 1.099 . . . . 25.0 113.968 -178.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 72.1 p -116.47 8.21 13.98 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 113.835 1.05 . . . . 25.0 113.835 -172.58 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -47.83 -72.7 0.05 OUTLIER 'General case' 0 CA--C 1.546 0.8 0 N-CA-C 113.936 1.087 . . . . 25.0 113.936 -173.352 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 8.3 p -74.37 -25.08 19.25 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.356 0 O-C-N 121.834 -0.541 . . . . 25.0 110.458 -178.696 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 43.6 tt0 -59.37 -45.3 91.82 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.278 0.561 . . . . 25.0 110.987 -178.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 14.4 m-30 -86.62 -23.32 25.76 Favored 'General case' 0 C--O 1.214 -0.772 0 CA-C-N 116.055 -0.52 . . . . 25.0 111.114 178.72 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.457 ' HA ' HD11 ' A' ' 38' ' ' ILE . 41.8 tp60 -61.32 -42.79 99.26 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 118.461 0.573 . . . . 25.0 110.218 176.626 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 25.7 mm100 -63.0 -41.68 99.65 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 120.644 -0.422 . . . . 25.0 110.806 178.474 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 55.9 t80 -64.71 -41.2 96.17 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-O 121.634 0.73 . . . . 25.0 110.878 177.48 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.439 ' HA ' HD23 ' A' ' 37' ' ' LEU . . . -65.58 -35.59 81.29 Favored 'General case' 0 C--N 1.317 -0.817 0 O-C-N 121.556 -0.715 . . . . 25.0 111.355 179.769 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.85 -24.18 65.23 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-O 121.196 0.522 . . . . 25.0 110.77 177.459 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 40.4 tt0 -72.54 -16.26 61.77 Favored 'General case' 0 C--O 1.214 -0.767 0 CA-C-O 121.535 0.683 . . . . 25.0 112.115 178.368 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 56.1 mm-40 -108.69 -43.58 4.23 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.551 0.574 . . . . 25.0 112.551 -179.318 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 30.4 m-85 -122.85 68.16 33.11 Favored Pre-proline 0 C--O 1.251 1.149 0 CA-C-N 116.417 -0.356 . . . . 25.0 110.903 -179.426 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -66.64 136.24 41.71 Favored 'Trans proline' 0 C--O 1.217 -0.56 0 C-N-CA 116.386 -1.943 . . . . 25.0 112.804 -176.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 82.29 -15.32 29.37 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 115.128 0.811 . . . . 25.0 115.128 -179.024 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 10.1 m120 -102.97 85.66 2.57 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 118.098 0.949 . . . . 25.0 111.071 -177.226 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 41.1 t80 -56.95 -44.06 82.17 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.217 0.451 . . . . 25.0 112.217 -177.669 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -60.89 -45.04 96.17 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 122.043 -0.41 . . . . 25.0 111.363 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.494 ' HA ' HD12 ' A' ' 36' ' ' ILE . 9.8 mm100 -68.0 -37.73 81.79 Favored 'General case' 0 C--O 1.245 0.831 0 O-C-N 121.683 -0.636 . . . . 25.0 109.61 -179.205 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 -58.05 -37.56 74.64 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.916 -0.584 . . . . 25.0 109.869 176.019 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 92.9 mm-40 -72.62 -36.62 68.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 121.65 -0.656 . . . . 25.0 111.554 -178.35 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.494 HD12 ' HA ' ' A' ' 33' ' ' GLN . 71.5 mt -60.9 -42.69 93.66 Favored 'Isoleucine or valine' 0 C--O 1.243 0.754 0 N-CA-C 108.536 -0.913 . . . . 25.0 108.536 176.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.439 HD23 ' HA ' ' A' ' 23' ' ' ALA . 28.2 tp -67.05 -47.6 70.84 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.801 -0.636 . . . . 25.0 112.26 -178.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.457 HD11 ' HA ' ' A' ' 20' ' ' GLN . 58.5 mt -56.88 -40.51 72.16 Favored 'Isoleucine or valine' 0 C--O 1.244 0.772 0 C-N-CA 122.483 0.313 . . . . 25.0 111.634 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 72.0 mtt85 -59.48 -38.65 81.37 Favored 'General case' 0 N--CA 1.483 1.219 0 O-C-N 121.359 -0.838 . . . . 25.0 112.093 177.043 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -65.26 -43.03 92.58 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-O 121.354 0.597 . . . . 25.0 111.162 179.133 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 63.6 mt -63.05 -42.43 99.7 Favored 'General case' 0 N--CA 1.478 0.937 0 CA-C-O 121.479 0.657 . . . . 25.0 110.479 -178.793 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -67.64 -41.3 84.11 Favored 'General case' 0 N--CA 1.443 -0.785 0 CA-C-N 115.112 -0.949 . . . . 25.0 110.376 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -66.78 -44.57 80.96 Favored 'General case' 0 CA--C 1.541 0.612 0 O-C-N 121.96 -0.463 . . . . 25.0 111.339 -179.166 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 10.9 mm100 -57.07 -39.88 75.83 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.342 0.591 . . . . 25.0 109.7 178.433 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 3.4 t-80 -83.57 -16.04 46.88 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 113.572 0.953 . . . . 25.0 113.572 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 76.3 t80 -72.76 -33.88 66.62 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 108.161 -1.051 . . . . 25.0 108.161 175.557 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 65.7 mt-30 -59.68 -46.4 89.17 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 108.872 -0.788 . . . . 25.0 108.872 176.137 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 23.6 tt0 -63.82 -40.41 96.55 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-O 121.506 0.67 . . . . 25.0 110.441 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 32.5 t80 -61.61 -40.0 93.28 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-O 121.313 0.577 . . . . 25.0 110.733 178.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.508 0 O-C-N 122.004 -0.435 . . . . 25.0 111.406 178.135 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 35.1 ttpt . . . . . 0 CA--C 1.539 0.554 0 N-CA-C 113.87 1.063 . . . . 25.0 113.87 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.3 pp0? -62.28 -28.69 69.89 Favored 'General case' 0 C--O 1.21 -0.993 0 O-C-N 121.786 -0.571 . . . . 25.0 112.488 -177.621 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 91.1 mt-30 -64.72 -40.56 95.54 Favored 'General case' 0 CA--C 1.514 -0.412 0 CA-C-O 121.895 0.855 . . . . 25.0 109.327 179.036 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 31.3 mt -72.41 -42.72 64.69 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.719 0 N-CA-C 108.592 -0.892 . . . . 25.0 108.592 -178.112 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 73.3 mtp -64.13 -35.93 82.38 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.566 -0.454 . . . . 25.0 111.524 -179.657 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.78 -40.84 88.33 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.159 0.505 . . . . 25.0 109.792 177.121 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.7 -46.43 88.16 Favored 'General case' 0 CA--C 1.538 0.514 0 N-CA-C 109.682 -0.488 . . . . 25.0 109.682 177.758 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 91.9 mt -66.65 -30.77 71.12 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.958 -0.297 . . . . 25.0 110.617 -179.747 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -59.63 -45.24 92.56 Favored 'General case' 0 C--O 1.221 -0.421 0 CA-C-O 121.418 0.628 . . . . 25.0 109.805 176.257 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 43.5 t -66.52 -42.95 86.51 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.699 -0.682 . . . . 25.0 111.573 -179.051 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 87.3 mm-40 -65.6 -38.15 88.64 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 112.523 0.564 . . . . 25.0 112.523 -179.191 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 69.7 p -99.36 4.28 46.29 Favored 'General case' 0 N--CA 1.471 0.581 0 N-CA-C 114.201 1.186 . . . . 25.0 114.201 -173.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -47.73 -73.53 0.04 OUTLIER 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 114.713 1.375 . . . . 25.0 114.713 -174.722 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.9 p -70.28 -27.65 32.71 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.694 0 CA-C-O 121.368 0.604 . . . . 25.0 110.746 -178.605 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 45.1 tt0 -60.85 -45.96 92.47 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.519 0.676 . . . . 25.0 111.566 -178.164 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 12.6 m-30 -84.85 -21.2 29.9 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 116.152 -0.476 . . . . 25.0 110.584 -178.743 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.502 ' HA ' HD11 ' A' ' 38' ' ' ILE . 50.5 tt0 -62.57 -47.39 84.05 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 111.96 0.355 . . . . 25.0 111.96 178.672 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -66.62 -36.17 81.94 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.782 -0.451 . . . . 25.0 109.782 -178.058 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 84.0 t80 -66.52 -41.97 88.0 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 120.4 -0.52 . . . . 25.0 111.545 175.488 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.67 -38.13 89.13 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.297 0.57 . . . . 25.0 109.961 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.82 -25.59 66.52 Favored 'General case' 0 C--O 1.213 -0.833 0 CA-C-N 116.065 -0.516 . . . . 25.0 111.841 178.636 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -76.5 -18.06 58.94 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 116.204 -0.453 . . . . 25.0 111.991 178.231 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 95.4 mm-40 -103.29 -46.37 4.62 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.498 0.666 . . . . 25.0 111.739 -178.177 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 21.7 m-30 -119.13 66.69 8.27 Favored Pre-proline 0 CA--C 1.55 0.957 0 CA-C-N 115.511 -0.768 . . . . 25.0 110.809 179.087 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -65.43 140.32 63.01 Favored 'Trans proline' 0 C--N 1.353 0.798 0 C-N-CA 117.168 -1.421 . . . . 25.0 112.83 -177.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 83.82 -17.69 24.98 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 114.463 0.545 . . . . 25.0 114.463 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 11.3 m120 -103.88 80.11 1.72 Allowed 'General case' 0 CA--C 1.503 -0.841 0 CA-C-N 118.244 1.022 . . . . 25.0 110.775 -175.782 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 65.1 t80 -53.66 -44.19 69.46 Favored 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 112.857 0.688 . . . . 25.0 112.857 -178.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -60.41 -45.22 94.37 Favored 'General case' 0 CA--C 1.546 0.812 0 O-C-N 122.062 -0.398 . . . . 25.0 111.597 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 87.7 mm-40 -71.53 -34.22 69.86 Favored 'General case' 0 CA--C 1.5 -0.948 0 C-N-CA 121.028 -0.269 . . . . 25.0 111.076 -178.704 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 66.6 mt-30 -58.5 -36.98 74.64 Favored 'General case' 0 N--CA 1.441 -0.913 0 O-C-N 123.4 0.437 . . . . 25.0 110.166 175.058 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -74.34 -38.65 63.2 Favored 'General case' 0 N--CA 1.476 0.833 0 O-C-N 122.115 -0.366 . . . . 25.0 110.55 -176.726 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 67.1 mt -62.42 -42.24 94.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 N-CA-C 109.138 -0.689 . . . . 25.0 109.138 176.492 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 46.2 tp -63.82 -47.29 81.41 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.942 -0.572 . . . . 25.0 111.159 178.639 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.502 HD11 ' HA ' ' A' ' 20' ' ' GLN . 50.0 mt -57.81 -38.62 66.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 111.746 0.276 . . . . 25.0 111.746 178.127 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -59.13 -42.79 91.44 Favored 'General case' 0 N--CA 1.474 0.757 0 O-C-N 121.709 -0.62 . . . . 25.0 109.729 175.562 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 -64.85 -43.35 93.31 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 120.773 0.32 . . . . 25.0 110.884 179.055 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 79.1 mt -63.41 -38.03 89.55 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.779 0.323 . . . . 25.0 110.361 -178.604 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -68.66 -37.39 79.61 Favored 'General case' 0 C--N 1.329 -0.321 0 O-C-N 122.198 -0.314 . . . . 25.0 111.101 178.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -67.83 -39.82 83.82 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 120.57 -0.452 . . . . 25.0 110.381 178.116 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -65.77 -42.32 90.96 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-O 121.261 0.553 . . . . 25.0 109.526 175.165 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 64.5 t60 -61.64 -30.07 70.47 Favored 'General case' 0 CA--C 1.538 0.489 0 O-C-N 122.077 -0.389 . . . . 25.0 111.908 177.32 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 59.6 t80 -66.64 -34.91 78.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 121.882 -0.511 . . . . 25.0 110.848 177.135 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 82.4 mt-30 -64.24 -40.81 96.8 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 121.387 -0.821 . . . . 25.0 109.933 177.062 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 40.7 tt0 -62.68 -42.24 99.52 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 109.566 -0.531 . . . . 25.0 109.566 176.461 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 14.1 t80 -62.42 -39.13 92.32 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.183 0.516 . . . . 25.0 110.612 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.331 -0.218 0 O-C-N 121.126 -0.984 . . . . 25.0 111.264 179.037 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.404 ' HA ' HD12 ' A' ' 7' ' ' ILE . 96.9 mttt . . . . . 0 N--CA 1.464 0.248 0 N-CA-C 112.167 0.432 . . . . 25.0 112.167 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 30.3 pt20 -70.13 -24.14 63.14 Favored 'General case' 0 C--O 1.216 -0.685 0 N-CA-C 112.45 0.537 . . . . 25.0 112.45 -179.031 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -71.69 -33.33 68.71 Favored 'General case' 0 C--O 1.219 -0.51 0 O-C-N 121.841 -0.537 . . . . 25.0 110.002 178.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.404 HD12 ' HA ' ' A' ' 4' ' ' LYS . 40.8 mt -66.61 -43.0 90.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 107.264 -1.384 . . . . 25.0 107.264 177.047 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 80.9 mmm -63.27 -35.97 82.13 Favored 'General case' 0 C--O 1.211 -0.974 0 CA-C-N 116.068 -0.514 . . . . 25.0 112.059 177.552 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.46 -39.5 92.09 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-O 121.283 0.563 . . . . 25.0 110.682 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.35 -46.77 72.44 Favored 'General case' 0 C--O 1.235 0.312 0 N-CA-C 109.48 -0.563 . . . . 25.0 109.48 177.452 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 51.2 mt -61.16 -40.66 94.68 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.41 -0.814 . . . . 25.0 111.144 -179.462 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -59.26 -45.45 91.17 Favored 'General case' 0 C--O 1.219 -0.52 0 O-C-N 121.804 -0.56 . . . . 25.0 110.754 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 38.0 m -68.35 -45.96 71.43 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 112.06 0.392 . . . . 25.0 112.06 -178.405 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 16.3 pt20 -74.21 -14.15 60.9 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 113.243 0.831 . . . . 25.0 113.243 -173.741 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 81.0 p -113.2 0.52 14.92 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.249 0.463 . . . . 25.0 112.249 178.608 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -51.8 -68.05 0.2 Allowed 'General case' 0 C--O 1.215 -0.744 0 N-CA-C 113.388 0.884 . . . . 25.0 113.388 -174.095 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.5 p -69.64 -27.71 34.72 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.809 0 CA-C-O 121.255 0.55 . . . . 25.0 111.247 -177.481 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -68.95 -44.89 72.08 Favored 'General case' 0 C--O 1.222 -0.392 0 O-C-N 121.565 -0.709 . . . . 25.0 111.119 -177.396 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 15.0 m-30 -78.8 -21.5 47.7 Favored 'General case' 0 C--O 1.211 -0.922 0 O-C-N 121.51 -0.744 . . . . 25.0 109.936 177.562 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.417 ' HA ' HD11 ' A' ' 38' ' ' ILE . 27.9 tt0 -61.8 -44.11 97.52 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 118.355 0.525 . . . . 25.0 110.165 177.145 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -64.12 -36.99 85.85 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.338 0.59 . . . . 25.0 111.092 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 79.2 t80 -68.48 -43.13 77.6 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 121.956 -0.465 . . . . 25.0 111.114 176.194 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.01 -35.46 80.3 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.908 0.385 . . . . 25.0 111.387 -178.322 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.97 -25.36 65.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.034 -0.53 . . . . 25.0 111.093 179.587 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -74.61 -26.91 60.22 Favored 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 122.629 0.371 . . . . 25.0 110.782 178.021 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -93.84 -47.07 6.92 Favored 'General case' 0 C--O 1.214 -0.771 0 CA-C-N 116.158 -0.474 . . . . 25.0 111.888 -176.2 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -121.58 67.96 21.27 Favored Pre-proline 0 C--N 1.326 -0.449 0 CA-C-N 115.902 -0.59 . . . . 25.0 110.444 -178.628 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -67.53 139.45 49.0 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 115.41 -2.593 . . . . 25.0 112.51 -176.596 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 82.12 -24.05 4.93 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 114.851 0.7 . . . . 25.0 114.851 -179.406 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -95.49 85.16 4.13 Favored 'General case' 0 CA--C 1.512 -0.483 0 CA-C-N 117.993 0.897 . . . . 25.0 109.966 -176.756 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 11.1 t80 -54.56 -43.26 71.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.292 -0.867 . . . . 25.0 111.805 -179.092 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -60.37 -46.77 88.76 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 112.059 0.392 . . . . 25.0 112.059 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 95.8 mm-40 -70.12 -35.01 73.79 Favored 'General case' 0 C--N 1.321 -0.643 0 O-C-N 121.935 -0.478 . . . . 25.0 110.922 -179.168 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 59.6 mt-30 -57.7 -39.29 76.84 Favored 'General case' 0 C--N 1.315 -0.898 0 N-CA-C 109.568 -0.53 . . . . 25.0 109.568 175.108 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 96.6 mm-40 -72.17 -39.57 68.58 Favored 'General case' 0 N--CA 1.481 1.099 0 O-C-N 121.666 -0.646 . . . . 25.0 110.036 -177.359 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 78.6 mt -62.21 -42.94 97.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 N-CA-C 109.075 -0.713 . . . . 25.0 109.075 178.582 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 33.8 tp -62.56 -51.72 66.27 Favored 'General case' 0 C--O 1.209 -1.059 0 N-CA-C 109.886 -0.412 . . . . 25.0 109.886 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.417 HD11 ' HA ' ' A' ' 20' ' ' GLN . 58.5 mt -56.44 -40.69 69.08 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 CA-C-O 121.002 0.429 . . . . 25.0 111.536 179.627 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 70.5 ttt-85 -61.88 -39.72 92.89 Favored 'General case' 0 C--N 1.321 -0.635 0 O-C-N 122.213 -0.304 . . . . 25.0 110.63 179.098 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -71.99 -39.79 69.03 Favored 'General case' 0 CA--C 1.536 0.436 0 N-CA-C 111.492 0.182 . . . . 25.0 111.492 176.413 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 93.0 mt -60.75 -42.22 96.98 Favored 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 109.537 -0.542 . . . . 25.0 109.537 179.56 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -66.01 -35.17 79.83 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 119.533 -0.27 . . . . 25.0 110.931 179.393 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 82.9 tt0 -70.23 -43.1 71.33 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 117.907 0.322 . . . . 25.0 111.837 179.23 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -66.63 -39.11 88.13 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.883 0.849 . . . . 25.0 109.519 178.734 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 44.1 t-80 -65.42 -31.19 72.16 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.97 -0.559 . . . . 25.0 110.647 176.121 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 41.6 t80 -61.45 -37.77 84.76 Favored 'General case' 0 N--CA 1.472 0.65 0 O-C-N 121.98 -0.45 . . . . 25.0 110.887 179.723 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 80.2 mt-30 -62.6 -43.33 99.09 Favored 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 109.782 -0.451 . . . . 25.0 109.782 179.078 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 11.6 tm0? -66.25 -42.08 89.05 Favored 'General case' 0 C--O 1.222 -0.365 0 N-CA-C 109.862 -0.421 . . . . 25.0 109.862 178.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 23.3 t80 -60.43 -43.27 96.94 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.061 -0.518 . . . . 25.0 109.8 -179.457 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.316 -0.874 0 CA-C-N 116.794 -0.184 . . . . 25.0 111.432 177.58 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 26.1 mtmm . . . . . 0 C--O 1.237 0.41 0 N-CA-C 111.363 0.134 . . . . 25.0 111.363 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 25.2 pt20 -69.98 -23.96 63.24 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 112.872 0.693 . . . . 25.0 112.872 -178.773 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -68.43 -35.7 78.01 Favored 'General case' 0 CA--C 1.511 -0.529 0 N-CA-C 109.16 -0.681 . . . . 25.0 109.16 179.359 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 24.8 mt -65.38 -39.57 85.66 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.502 0 N-CA-C 108.43 -0.952 . . . . 25.0 108.43 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 93.4 mmm -62.12 -44.22 97.13 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 122.07 -0.394 . . . . 25.0 110.603 177.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.65 -35.28 80.51 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-O 120.754 0.311 . . . . 25.0 111.179 178.749 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.11 -40.97 78.0 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.921 0.391 . . . . 25.0 110.213 178.325 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 54.4 mt -65.38 -33.7 76.57 Favored 'General case' 0 C--O 1.217 -0.657 0 O-C-N 121.991 -0.443 . . . . 25.0 110.988 -178.455 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -59.8 -37.81 80.18 Favored 'General case' 0 C--O 1.215 -0.727 0 CA-C-O 121.252 0.548 . . . . 25.0 110.798 177.647 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 36.9 t -75.21 -42.43 55.58 Favored 'General case' 0 C--O 1.22 -0.454 0 O-C-N 121.69 -0.632 . . . . 25.0 112.317 175.748 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 60.7 mt-30 -64.62 -40.94 96.37 Favored 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 114.334 1.235 . . . . 25.0 114.334 -175.691 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 81.6 p -102.62 6.32 39.65 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-N 115.871 -0.604 . . . . 25.0 111.9 -173.438 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -43.04 -69.03 0.15 Allowed 'General case' 0 C--O 1.242 0.67 0 N-CA-C 114.708 1.373 . . . . 25.0 114.708 -174.746 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.9 p -74.63 -28.02 21.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 121.79 -0.569 . . . . 25.0 111.607 -174.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -58.98 -48.21 82.37 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.886 -0.413 . . . . 25.0 109.886 179.626 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 19.1 m-30 -80.46 -29.48 37.48 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 120.895 -0.322 . . . . 25.0 110.967 179.603 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.483 ' HA ' HD11 ' A' ' 38' ' ' ILE . 15.8 tt0 -62.93 -43.17 99.52 Favored 'General case' 0 C--O 1.221 -0.431 0 O-C-N 121.788 -0.57 . . . . 25.0 112.493 -179.444 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -65.56 -39.11 91.31 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 120.61 -0.436 . . . . 25.0 110.534 -179.633 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 54.9 t80 -67.25 -39.99 86.23 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.872 0.368 . . . . 25.0 111.023 177.146 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.41 ' HA ' HD23 ' A' ' 37' ' ' LEU . . . -64.87 -36.49 84.51 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.673 0.273 . . . . 25.0 110.748 179.061 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.29 -29.81 66.66 Favored 'General case' 0 C--O 1.205 -1.282 0 CA-C-N 116.607 -0.269 . . . . 25.0 110.48 179.217 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -70.12 -31.48 69.05 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.226 0.536 . . . . 25.0 110.208 178.261 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 9.2 mm100 -87.82 -46.88 9.05 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 115.858 -0.61 . . . . 25.0 111.394 -175.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -122.17 68.92 28.48 Favored Pre-proline 0 C--O 1.242 0.669 0 CA-C-N 116.378 -0.374 . . . . 25.0 110.43 -178.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -68.7 140.07 45.84 Favored 'Trans proline' 0 C--O 1.216 -0.608 0 C-N-CA 116.484 -1.877 . . . . 25.0 113.048 -178.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 86.0 -22.2 12.98 Favored Glycine 0 C--O 1.216 -1.009 0 CA-C-N 115.393 -0.821 . . . . 25.0 115.09 -178.227 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -103.99 85.24 2.37 Favored 'General case' 0 CA--C 1.507 -0.703 0 CA-C-N 118.518 1.159 . . . . 25.0 111.818 -175.198 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 39.5 t80 -51.15 -43.87 61.3 Favored 'General case' 0 C--O 1.218 -0.565 0 C-N-CA 122.459 0.304 . . . . 25.0 111.153 179.085 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 19.1 pt-20 -61.2 -43.31 99.08 Favored 'General case' 0 C--O 1.213 -0.847 0 N-CA-C 113.242 0.83 . . . . 25.0 113.242 -178.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 87.8 mm-40 -71.51 -35.35 70.71 Favored 'General case' 0 CA--C 1.507 -0.677 0 N-CA-C 109.728 -0.471 . . . . 25.0 109.728 -179.01 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 64.6 mt-30 -58.63 -37.83 76.74 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.06 -1.089 . . . . 25.0 108.06 176.544 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 76.1 mm-40 -73.57 -36.91 65.64 Favored 'General case' 0 N--CA 1.47 0.565 0 O-C-N 121.529 -0.732 . . . . 25.0 111.289 -175.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 75.3 mt -62.12 -43.93 98.39 Favored 'Isoleucine or valine' 0 C--O 1.238 0.5 0 N-CA-C 108.701 -0.852 . . . . 25.0 108.701 177.664 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.41 HD23 ' HA ' ' A' ' 23' ' ' ALA . 40.7 tp -64.47 -48.96 73.26 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.552 -0.459 . . . . 25.0 110.81 -179.786 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.483 HD11 ' HA ' ' A' ' 20' ' ' GLN . 83.5 mt -58.92 -38.25 72.12 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.598 0 N-CA-C 111.914 0.338 . . . . 25.0 111.914 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 61.9 mtp180 -57.33 -43.58 83.47 Favored 'General case' 0 C--N 1.327 -0.381 0 O-C-N 121.739 -0.601 . . . . 25.0 110.565 178.212 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 82.7 mt-30 -77.21 -30.47 54.72 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 112.229 0.455 . . . . 25.0 112.229 -178.332 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 91.3 mt -64.21 -41.33 97.09 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.637 0.732 . . . . 25.0 109.082 177.115 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 21.4 mt-30 -69.39 -37.29 77.45 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.985 -0.552 . . . . 25.0 110.193 179.576 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 48.8 tt0 -61.92 -45.11 95.12 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.819 0.818 . . . . 25.0 109.853 178.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 14.4 tp60 -65.68 -38.04 88.15 Favored 'General case' 0 C--N 1.321 -0.662 0 O-C-N 121.292 -0.88 . . . . 25.0 112.173 -179.347 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 60.4 t60 -65.61 -26.38 67.8 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.222 0.534 . . . . 25.0 112.054 -178.69 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 19.6 t80 -60.12 -32.54 71.11 Favored 'General case' 0 C--O 1.243 0.757 0 N-CA-C 113.089 0.774 . . . . 25.0 113.089 179.334 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 -61.45 -40.23 93.72 Favored 'General case' 0 N--CA 1.478 0.956 0 CA-C-N 116.537 -0.301 . . . . 25.0 110.509 -179.573 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -71.61 -36.39 70.78 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.986 0.422 . . . . 25.0 110.263 -178.468 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 18.1 t80 -60.87 -41.11 95.31 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.302 0.572 . . . . 25.0 109.706 176.498 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.322 -0.603 0 O-C-N 121.865 -0.522 . . . . 25.0 111.093 179.744 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 58.3 mtmt . . . . . 0 C--O 1.221 -0.437 0 N-CA-C 111.862 0.319 . . . . 25.0 111.862 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -62.8 -26.41 68.72 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 112.76 0.652 . . . . 25.0 112.76 177.024 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -67.18 -38.6 85.68 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.093 -0.706 . . . . 25.0 109.093 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 38.4 mt -69.17 -43.34 81.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 108.322 -0.992 . . . . 25.0 108.322 179.642 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 66.5 mmm -60.64 -42.06 96.16 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 116.222 -0.445 . . . . 25.0 111.822 179.465 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.59 -40.33 95.34 Favored 'General case' 0 C--O 1.242 0.703 0 CA-C-O 121.511 0.672 . . . . 25.0 110.879 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.85 -45.9 80.47 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 115.87 -0.605 . . . . 25.0 110.837 -179.486 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 74.7 mt -62.67 -41.37 99.05 Favored 'General case' 0 C--O 1.232 0.148 0 C-N-CA 120.787 -0.365 . . . . 25.0 110.267 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 6.0 m-80 -61.38 -36.08 79.25 Favored 'General case' 0 CA--C 1.511 -0.557 0 CA-C-O 121.087 0.47 . . . . 25.0 109.858 -179.582 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 21.6 m -68.76 -45.0 72.53 Favored 'General case' 0 C--O 1.208 -1.08 0 CA-C-O 121.565 0.698 . . . . 25.0 112.248 177.465 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 31.0 mm100 -66.69 -25.15 66.41 Favored 'General case' 0 C--O 1.235 0.313 0 N-CA-C 113.513 0.931 . . . . 25.0 113.513 -175.319 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 56.0 p -118.96 10.94 12.37 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 113.121 0.785 . . . . 25.0 113.121 -174.342 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.51 -66.21 0.42 Allowed 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 113.146 0.795 . . . . 25.0 113.146 -177.026 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 10.9 p -70.79 -28.55 34.34 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.765 0 CA-C-O 121.996 0.903 . . . . 25.0 109.961 -176.711 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 39.9 tt0 -61.14 -45.42 94.71 Favored 'General case' 0 C--O 1.218 -0.589 0 CA-C-O 121.885 0.85 . . . . 25.0 111.109 -178.443 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 19.0 m-30 -78.3 -26.03 46.82 Favored 'General case' 0 CA--C 1.504 -0.795 0 CA-C-N 115.794 -0.639 . . . . 25.0 110.981 177.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 44.5 tt0 -64.21 -41.09 97.19 Favored 'General case' 0 N--CA 1.472 0.631 0 O-C-N 121.305 -0.872 . . . . 25.0 110.34 178.123 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 82.9 mt-30 -63.95 -41.14 97.68 Favored 'General case' 0 C--O 1.241 0.655 0 CA-C-N 116.27 -0.423 . . . . 25.0 110.779 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 57.2 t80 -67.22 -41.64 85.38 Favored 'General case' 0 C--O 1.208 -1.097 0 CA-C-O 121.691 0.758 . . . . 25.0 110.49 177.353 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.59 -41.28 97.2 Favored 'General case' 0 C--N 1.344 0.336 0 CA-C-N 115.867 -0.606 . . . . 25.0 109.453 -178.529 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.44 -30.22 69.05 Favored 'General case' 0 C--O 1.207 -1.149 0 CA-C-O 121.102 0.477 . . . . 25.0 110.768 -179.777 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -69.45 -26.36 64.55 Favored 'General case' 0 C--N 1.311 -1.089 0 CA-C-N 116.262 -0.426 . . . . 25.0 110.891 179.113 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 28.4 mm100 -95.49 -41.93 8.71 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 113.398 0.888 . . . . 25.0 113.398 -176.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 24.6 m-85 -122.89 68.39 34.09 Favored Pre-proline 0 C--O 1.253 1.27 0 CA-C-O 121.688 0.756 . . . . 25.0 111.299 179.749 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_endo -71.07 138.27 33.35 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 115.91 -2.26 . . . . 25.0 113.231 -177.491 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 82.95 -9.35 60.38 Favored Glycine 0 N--CA 1.463 0.461 0 O-C-N 121.942 -0.474 . . . . 25.0 114.268 -178.347 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -114.16 81.41 1.53 Allowed 'General case' 0 C--O 1.227 -0.112 0 O-C-N 121.784 -0.833 . . . . 25.0 111.71 -176.549 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 11.1 t80 -54.19 -39.64 66.82 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.721 -0.672 . . . . 25.0 111.651 179.689 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -60.27 -45.98 91.41 Favored 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 112.437 0.532 . . . . 25.0 112.437 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -73.64 -32.49 64.06 Favored 'General case' 0 CA--C 1.503 -0.833 0 O-C-N 121.755 -0.591 . . . . 25.0 111.39 -177.652 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 66.6 mt-30 -60.18 -38.66 83.91 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.61 -0.723 . . . . 25.0 110.755 173.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 93.0 mm-40 -72.2 -36.92 69.32 Favored 'General case' 0 C--N 1.32 -0.695 0 O-C-N 122.07 -0.394 . . . . 25.0 110.755 -178.3 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 65.1 mt -66.17 -46.32 87.86 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.427 0 N-CA-C 109.988 -0.375 . . . . 25.0 109.988 178.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 19.7 tp -55.98 -46.53 78.65 Favored 'General case' 0 C--O 1.244 0.792 0 N-CA-C 113.204 0.816 . . . . 25.0 113.204 -177.059 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 68.1 mt -56.63 -35.21 44.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 C-N-CA 122.907 0.483 . . . . 25.0 111.346 -178.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 89.5 mtt180 -60.68 -44.71 96.18 Favored 'General case' 0 N--CA 1.471 0.581 0 O-C-N 121.456 -0.777 . . . . 25.0 111.338 178.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.5 mp0 -66.94 -39.08 87.21 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.943 -0.571 . . . . 25.0 111.546 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 92.0 mt -59.75 -50.09 75.19 Favored 'General case' 0 C--N 1.312 -1.042 0 CA-C-O 121.276 0.56 . . . . 25.0 110.206 177.684 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 45.8 mm-40 -61.44 -42.21 98.39 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.438 -0.347 . . . . 25.0 111.68 -176.623 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 63.5 tt0 -65.26 -45.42 84.6 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 109.512 -0.551 . . . . 25.0 109.512 -178.108 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 40.5 tt0 -64.77 -41.07 96.14 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-O 121.601 0.715 . . . . 25.0 112.229 -179.505 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 50.8 m-70 -66.9 -21.6 65.99 Favored 'General case' 0 C--O 1.241 0.647 0 O-C-N 121.245 -0.909 . . . . 25.0 112.533 -176.81 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 41.5 t80 -60.88 -32.38 71.83 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-O 122.178 0.99 . . . . 25.0 112.839 173.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -61.89 -42.58 99.24 Favored 'General case' 0 N--CA 1.482 1.156 0 O-C-N 121.773 -0.58 . . . . 25.0 109.805 -179.454 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 40.6 tt0 -68.36 -36.65 79.54 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.98 -0.555 . . . . 25.0 110.461 -179.602 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 20.9 t80 -62.73 -36.55 83.36 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.94 0.4 . . . . 25.0 111.644 178.237 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.54 0.558 0 C-N-CA 120.182 -0.607 . . . . 25.0 110.421 176.29 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 56.1 mtmt . . . . . 0 C--O 1.222 -0.359 0 N-CA-C 114.292 1.219 . . . . 25.0 114.292 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 92.2 mt-30 -69.44 -24.46 63.82 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 112.094 0.405 . . . . 25.0 112.094 179.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 67.5 mm-40 -66.65 -39.33 88.19 Favored 'General case' 0 N--CA 1.466 0.374 0 N-CA-C 108.042 -1.096 . . . . 25.0 108.042 176.794 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 57.5 mt -67.77 -41.27 85.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 108.959 -0.756 . . . . 25.0 108.959 -179.779 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 87.7 mtp -63.63 -32.62 74.16 Favored 'General case' 0 C--N 1.321 -0.632 0 O-C-N 121.645 -0.66 . . . . 25.0 112.101 178.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.17 -38.86 78.92 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.784 0.326 . . . . 25.0 110.143 178.017 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.1 -42.02 85.27 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-O 120.889 0.376 . . . . 25.0 110.199 178.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 73.2 mt -63.06 -37.49 87.42 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-N 116.045 -0.525 . . . . 25.0 109.751 177.697 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -59.32 -38.46 80.33 Favored 'General case' 0 C--O 1.216 -0.692 0 C-N-CA 121.141 -0.224 . . . . 25.0 111.315 179.062 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 46.4 t -68.9 -44.92 72.23 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.347 0.594 . . . . 25.0 110.73 -179.708 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 94.4 mm-40 -65.66 -28.94 69.46 Favored 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 113.922 1.082 . . . . 25.0 113.922 -178.727 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 69.6 p -110.56 6.25 21.77 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 113.576 0.954 . . . . 25.0 113.576 -174.179 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.28 -72.5 0.05 Allowed 'General case' 0 C--O 1.219 -0.503 0 N-CA-C 113.096 0.776 . . . . 25.0 113.096 -174.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.0 p -69.74 -25.92 29.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 121.195 0.521 . . . . 25.0 109.821 -176.665 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 15.9 tt0 -59.88 -50.63 73.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.903 -0.589 . . . . 25.0 110.48 -179.604 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 19.5 m-30 -85.7 -20.82 28.8 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.191 -0.459 . . . . 25.0 111.077 -178.066 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 60.4 tt0 -61.64 -48.61 80.1 Favored 'General case' 0 N--CA 1.473 0.691 0 O-C-N 121.684 -0.635 . . . . 25.0 112.024 178.406 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 96.2 mm-40 -67.44 -34.91 78.19 Favored 'General case' 0 N--CA 1.451 -0.383 0 N-CA-C 109.349 -0.611 . . . . 25.0 109.349 -177.277 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 64.1 t80 -66.29 -43.02 87.54 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 121.735 -0.603 . . . . 25.0 111.109 175.357 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.3 -37.86 88.98 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 121.948 -0.47 . . . . 25.0 110.531 -177.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.44 -28.23 68.44 Favored 'General case' 0 C--O 1.216 -0.658 0 CA-C-N 116.699 -0.228 . . . . 25.0 110.643 177.05 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 21.1 tt0 -73.11 -20.54 60.91 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.179 -0.464 . . . . 25.0 111.418 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 97.8 mm-40 -100.32 -49.19 4.33 Favored 'General case' 0 N--CA 1.475 0.818 0 CA-C-N 116.12 -0.491 . . . . 25.0 111.116 -178.512 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 18.9 m-85 -119.62 69.9 12.56 Favored Pre-proline 0 C--O 1.247 0.95 0 CA-C-O 121.05 0.452 . . . . 25.0 110.875 -178.045 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 69.0 Cg_endo -70.08 141.84 44.97 Favored 'Trans proline' 0 C--O 1.212 -0.791 0 C-N-CA 116.393 -1.938 . . . . 25.0 112.862 -178.38 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 81.32 -9.47 54.37 Favored Glycine 0 CA--C 1.526 0.75 0 N-CA-C 114.931 0.733 . . . . 25.0 114.931 -179.01 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -111.35 83.49 1.78 Allowed 'General case' 0 CA--C 1.512 -0.518 0 O-C-N 121.695 -0.885 . . . . 25.0 110.866 -175.508 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 59.0 t80 -54.05 -47.52 71.55 Favored 'General case' 0 N--CA 1.466 0.327 0 N-CA-C 112.048 0.388 . . . . 25.0 112.048 -178.54 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -58.12 -44.87 87.96 Favored 'General case' 0 C--O 1.247 0.923 0 O-C-N 121.807 -0.558 . . . . 25.0 111.947 -176.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 91.1 mt-30 -69.98 -36.95 75.59 Favored 'General case' 0 CA--C 1.503 -0.861 0 CA-C-N 116.334 -0.394 . . . . 25.0 111.048 -177.269 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 70.5 mt-30 -59.37 -37.26 77.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.967 -0.561 . . . . 25.0 110.303 177.632 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 28.5 mm-40 -70.59 -39.68 73.71 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.254 0.549 . . . . 25.0 109.937 -176.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 77.0 mt -62.25 -43.36 97.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.326 -0.397 . . . . 25.0 109.99 177.735 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 36.8 tp -63.21 -45.96 89.24 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.089 -0.505 . . . . 25.0 111.059 -177.696 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 64.1 mt -59.03 -40.65 81.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.463 -0.335 . . . . 25.0 111.515 178.185 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 35.6 mtp180 -62.23 -42.77 99.61 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 120.265 -0.574 . . . . 25.0 109.645 178.798 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 62.0 tt0 -59.97 -42.43 94.11 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-O 121.032 0.444 . . . . 25.0 110.486 179.051 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 51.1 mt -64.23 -42.92 96.34 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.35 -0.386 . . . . 25.0 110.101 179.677 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -71.31 -39.1 71.66 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 113.26 0.837 . . . . 25.0 113.26 -178.445 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -68.53 -38.32 80.75 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.844 0.354 . . . . 25.0 110.797 179.576 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 19.5 mm100 -66.04 -42.96 88.86 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-O 121.072 0.463 . . . . 25.0 110.251 172.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 25.1 t60 -62.87 -28.22 69.89 Favored 'General case' 0 C--N 1.328 -0.36 0 O-C-N 122.128 -0.357 . . . . 25.0 110.88 179.31 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 59.9 t80 -58.12 -42.7 86.36 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 121.784 -0.573 . . . . 25.0 110.956 -179.417 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 93.0 mm-40 -66.28 -41.81 89.3 Favored 'General case' 0 C--O 1.251 1.18 0 N-CA-C 109.502 -0.555 . . . . 25.0 109.502 -179.405 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 37.7 tt0 -62.26 -41.91 98.86 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 121.081 0.467 . . . . 25.0 110.76 178.699 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 56.7 t80 -66.53 -38.98 88.32 Favored 'General case' 0 C--O 1.217 -0.611 0 CA-C-N 116.141 -0.481 . . . . 25.0 111.753 179.495 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 121.996 -0.44 . . . . 25.0 110.902 178.549 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 25.7 mtpp . . . . . 0 C--O 1.222 -0.356 0 N-CA-C 115.15 1.537 . . . . 25.0 115.15 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 65.7 mt-30 -65.71 -24.42 66.98 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 113.82 1.044 . . . . 25.0 113.82 -176.153 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 -61.21 -42.61 98.89 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.963 0.887 . . . . 25.0 109.179 177.689 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 28.7 mt -70.52 -40.21 77.08 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.492 0 CA-C-N 115.062 -0.972 . . . . 25.0 109.141 -178.514 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 87.3 mtp -59.28 -52.93 63.52 Favored 'General case' 0 C--O 1.22 -0.485 0 CA-C-N 116.372 -0.376 . . . . 25.0 110.533 179.136 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.33 -39.23 86.31 Favored 'General case' 0 C--N 1.322 -0.616 0 O-C-N 123.279 0.362 . . . . 25.0 111.365 -178.029 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.56 -44.82 96.34 Favored 'General case' 0 C--N 1.322 -0.618 0 C-N-CA 120.394 -0.522 . . . . 25.0 110.154 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 91.9 mt -71.29 -41.1 70.39 Favored 'General case' 0 C--O 1.22 -0.449 0 CA-C-O 120.707 0.289 . . . . 25.0 111.161 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 11.8 m120 -63.9 -31.33 72.47 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 116.67 -0.241 . . . . 25.0 111.569 -175.61 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 50.8 m -63.65 -34.56 78.11 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.229 0.538 . . . . 25.0 110.334 -179.402 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 11.5 mm100 -74.76 -20.6 59.75 Favored 'General case' 0 N--CA 1.468 0.433 0 N-CA-C 112.606 0.595 . . . . 25.0 112.606 -179.616 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 66.8 p -114.2 3.27 15.11 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 113.67 0.989 . . . . 25.0 113.67 -174.665 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -54.35 -63.58 1.11 Allowed 'General case' 0 C--O 1.246 0.907 0 N-CA-C 112.939 0.718 . . . . 25.0 112.939 -173.744 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.9 p -72.03 -24.8 22.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 121.425 0.631 . . . . 25.0 111.324 -177.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -61.16 -47.43 86.21 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.737 0.78 . . . . 25.0 110.36 177.81 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 -69.06 -32.15 71.42 Favored 'General case' 0 N--CA 1.439 -1.006 0 CA-C-N 115.951 -0.568 . . . . 25.0 111.419 176.64 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.467 ' HA ' HD11 ' A' ' 38' ' ' ILE . 40.6 tt0 -64.11 -39.16 93.45 Favored 'General case' 0 CA--C 1.533 0.293 0 O-C-N 122.135 -0.353 . . . . 25.0 111.319 -179.249 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 81.5 mt-30 -64.73 -44.39 90.33 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.794 -0.184 . . . . 25.0 110.544 176.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 91.1 t80 -65.41 -39.91 92.73 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.233 0.539 . . . . 25.0 110.876 178.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.37 -35.36 78.92 Favored 'General case' 0 C--N 1.322 -0.605 0 O-C-N 121.525 -0.734 . . . . 25.0 111.17 179.642 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.33 -28.12 67.71 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 122.105 -0.372 . . . . 25.0 111.625 177.394 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 26.3 tt0 -76.2 -26.06 55.78 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 121.371 0.605 . . . . 25.0 110.831 179.137 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 80.6 mm-40 -90.42 -49.2 6.65 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.579 -0.737 . . . . 25.0 112.46 -177.105 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -122.71 71.87 40.56 Favored Pre-proline 0 C--N 1.331 -0.228 0 CA-C-N 115.882 -0.599 . . . . 25.0 110.248 -177.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_endo -70.55 135.59 28.92 Favored 'Trans proline' 0 CA--C 1.532 0.388 0 C-N-CA 116.58 -1.813 . . . . 25.0 112.945 -178.181 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 83.53 -10.94 57.97 Favored Glycine 0 CA--C 1.528 0.893 0 N-CA-C 115.099 0.799 . . . . 25.0 115.099 -178.64 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 21.7 m120 -108.27 86.86 2.37 Favored 'General case' 0 C--O 1.223 -0.291 0 CA-C-N 117.839 0.819 . . . . 25.0 110.617 -178.262 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 71.6 t80 -55.98 -46.67 78.59 Favored 'General case' 0 C--O 1.21 -1.0 0 N-CA-C 112.887 0.699 . . . . 25.0 112.887 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -60.5 -44.11 96.32 Favored 'General case' 0 CA--C 1.541 0.617 0 O-C-N 121.403 -0.811 . . . . 25.0 111.338 -178.512 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -70.22 -34.77 73.3 Favored 'General case' 0 CA--C 1.507 -0.691 0 O-C-N 121.805 -0.559 . . . . 25.0 110.543 -176.734 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 73.0 mt-30 -60.04 -38.19 82.03 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 108.845 -0.798 . . . . 25.0 108.845 174.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 76.4 mm-40 -72.09 -38.74 69.31 Favored 'General case' 0 C--O 1.24 0.602 0 N-CA-C 109.283 -0.636 . . . . 25.0 109.283 -174.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 82.1 mt -62.28 -43.11 97.65 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.255 0 N-CA-C 108.528 -0.915 . . . . 25.0 108.528 -179.735 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 51.5 tp -63.21 -48.74 77.03 Favored 'General case' 0 C--O 1.215 -0.712 0 C-N-CA 120.75 -0.38 . . . . 25.0 111.248 179.024 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.467 HD11 ' HA ' ' A' ' 20' ' ' GLN . 67.2 mt -56.79 -37.34 53.01 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 O-C-N 122.024 -0.423 . . . . 25.0 111.656 179.737 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 34.6 mmt180 -61.83 -48.46 80.48 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 121.884 -0.51 . . . . 25.0 109.924 176.758 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 49.3 tt0 -60.18 -43.59 95.74 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.367 -0.379 . . . . 25.0 110.663 -179.067 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 72.1 mt -65.04 -36.98 86.1 Favored 'General case' 0 CA--C 1.544 0.74 0 N-CA-C 112.325 0.491 . . . . 25.0 112.325 -178.699 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -63.99 -42.71 97.1 Favored 'General case' 0 C--N 1.322 -0.627 0 O-C-N 121.919 -0.488 . . . . 25.0 110.192 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 90.2 mt-10 -73.99 -36.74 64.54 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.745 0.307 . . . . 25.0 110.856 179.818 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 42.5 tt0 -60.51 -43.34 97.2 Favored 'General case' 0 C--N 1.319 -0.75 0 O-C-N 121.557 -0.714 . . . . 25.0 111.67 176.213 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 9.1 t-80 -65.21 -31.86 73.24 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.692 0.758 . . . . 25.0 110.344 179.465 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 44.0 t80 -72.19 -40.22 68.06 Favored 'General case' 0 C--N 1.314 -0.937 0 O-C-N 121.864 -0.523 . . . . 25.0 110.993 176.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -61.53 -38.05 85.99 Favored 'General case' 0 C--N 1.327 -0.394 0 O-C-N 121.632 -0.667 . . . . 25.0 111.262 175.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -61.41 -45.35 94.69 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-O 121.454 0.645 . . . . 25.0 110.088 176.658 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 49.4 t80 -63.31 -36.49 83.87 Favored 'General case' 0 CA--C 1.547 0.846 0 O-C-N 121.595 -0.691 . . . . 25.0 110.891 177.719 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.32 -0.678 0 O-C-N 121.704 -0.623 . . . . 25.0 111.813 178.803 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 66.2 mttm . . . . . 0 N--CA 1.469 0.517 0 N-CA-C 116.277 1.954 . . . . 25.0 116.277 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 57.4 mt-30 -67.22 -22.65 65.69 Favored 'General case' 0 C--O 1.212 -0.886 0 N-CA-C 109.41 -0.589 . . . . 25.0 109.41 175.044 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 98.2 mm-40 -61.02 -45.45 94.75 Favored 'General case' 0 C--O 1.207 -1.179 0 CA-C-N 115.658 -0.701 . . . . 25.0 111.566 170.772 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 56.8 mt -65.32 -43.64 94.95 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 N-CA-C 108.603 -0.888 . . . . 25.0 108.603 178.673 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 65.8 mtp -60.33 -38.58 84.2 Favored 'General case' 0 C--O 1.207 -1.157 0 CA-C-O 119.094 -0.479 . . . . 25.0 111.925 177.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.24 -40.79 90.47 Favored 'General case' 0 CA--C 1.512 -0.485 0 CA-C-N 118.313 0.506 . . . . 25.0 110.432 179.715 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.22 -34.27 75.94 Favored 'General case' 0 CA--C 1.555 1.159 0 CA-C-O 121.631 0.729 . . . . 25.0 110.355 179.574 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 57.7 mt -72.52 -43.97 62.83 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.833 -0.621 . . . . 25.0 112.635 178.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 -58.57 -36.59 74.19 Favored 'General case' 0 CA--C 1.506 -0.723 0 N-CA-C 109.585 -0.524 . . . . 25.0 109.585 179.802 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 70.3 m -61.17 -29.06 69.57 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 115.461 -0.79 . . . . 25.0 112.133 -178.172 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -83.06 -27.58 30.17 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.788 0.804 . . . . 25.0 110.583 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 69.1 p -102.22 -8.21 21.5 Favored 'General case' 0 C--O 1.214 -0.789 0 N-CA-C 113.912 1.079 . . . . 25.0 113.912 -170.556 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -49.57 -70.59 0.08 Allowed 'General case' 0 CA--C 1.548 0.887 0 N-CA-C 115.198 1.555 . . . . 25.0 115.198 -173.363 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.3 p -69.4 -23.68 26.74 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.316 0 CA-C-O 121.874 0.845 . . . . 25.0 110.563 -179.707 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 39.2 tt0 -66.26 -49.51 66.9 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-O 121.649 0.737 . . . . 25.0 110.371 -178.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 13.9 m-30 -79.47 -23.01 43.34 Favored 'General case' 0 CA--C 1.51 -0.562 0 CA-C-N 115.806 -0.634 . . . . 25.0 111.451 -177.172 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -60.85 -36.84 80.17 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 123.708 0.63 . . . . 25.0 111.825 176.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 -71.42 -36.9 71.47 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.544 -0.723 . . . . 25.0 110.633 -177.07 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 77.0 t80 -69.53 -36.65 76.59 Favored 'General case' 0 C--N 1.329 -0.323 0 O-C-N 123.959 0.787 . . . . 25.0 110.486 173.222 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.54 -36.71 83.33 Favored 'General case' 0 C--O 1.239 0.552 0 C-N-CA 120.126 -0.63 . . . . 25.0 109.597 -179.646 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.38 -20.37 62.15 Favored 'General case' 0 C--O 1.211 -0.93 0 O-C-N 121.727 -0.608 . . . . 25.0 111.22 177.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 16.2 tt0 -79.08 -22.47 45.25 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 120.979 0.419 . . . . 25.0 111.854 178.225 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -97.15 -44.81 6.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.199 -0.909 . . . . 25.0 113.245 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 29.5 m-85 -125.27 71.39 64.06 Favored Pre-proline 0 C--O 1.249 1.048 0 O-C-N 124.41 1.069 . . . . 25.0 111.74 179.16 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_endo -71.43 139.39 34.54 Favored 'Trans proline' 0 C--O 1.194 -1.711 0 C-N-CA 115.195 -2.737 . . . . 25.0 111.402 179.716 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 81.39 0.2 88.72 Favored Glycine 0 N--CA 1.466 0.695 0 C-N-CA 119.927 -1.13 . . . . 25.0 115.614 -179.037 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 27.4 m120 -121.4 87.03 2.68 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 117.997 0.898 . . . . 25.0 111.694 -177.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 48.5 t80 -54.37 -45.2 72.75 Favored 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 112.896 0.702 . . . . 25.0 112.896 177.607 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -61.19 -47.8 84.46 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 118.102 0.41 . . . . 25.0 111.5 -179.599 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 91.4 mm-40 -66.87 -34.58 78.11 Favored 'General case' 0 CA--C 1.513 -0.455 0 CA-C-O 121.784 0.802 . . . . 25.0 111.122 -178.191 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -61.28 -36.08 79.06 Favored 'General case' 0 CA--C 1.505 -0.757 0 N-CA-C 108.943 -0.762 . . . . 25.0 108.943 176.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 93.0 mm-40 -75.54 -35.06 60.77 Favored 'General case' 0 C--O 1.249 1.03 0 C-N-CA 120.207 -0.597 . . . . 25.0 111.135 -176.677 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 86.5 mt -61.3 -47.13 94.88 Favored 'Isoleucine or valine' 0 C--O 1.239 0.551 0 N-CA-C 108.062 -1.088 . . . . 25.0 108.062 179.176 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 24.5 tp -65.15 -47.94 75.28 Favored 'General case' 0 C--O 1.221 -0.435 0 CA-C-N 115.714 -0.675 . . . . 25.0 111.318 -177.017 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 61.0 mt -58.43 -40.63 79.11 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 CA-C-O 120.887 0.375 . . . . 25.0 111.73 -179.266 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 65.3 mtp180 -59.23 -44.92 92.31 Favored 'General case' 0 N--CA 1.476 0.84 0 O-C-N 121.769 -0.582 . . . . 25.0 110.483 178.704 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 30.7 tp60 -62.47 -43.31 99.13 Favored 'General case' 0 N--CA 1.45 -0.47 0 O-C-N 123.229 0.331 . . . . 25.0 111.6 178.796 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 19.3 mt -63.25 -42.02 99.14 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.224 -0.658 . . . . 25.0 109.224 -176.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -66.24 -39.35 89.47 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 121.996 -0.44 . . . . 25.0 112.084 -176.622 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 85.6 mt-10 -68.73 -32.86 72.94 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-O 121.727 0.775 . . . . 25.0 110.217 177.713 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 33.8 tt0 -70.22 -40.67 74.37 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.195 -0.457 . . . . 25.0 110.667 -179.41 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 23.2 m-70 -70.0 -19.56 63.33 Favored 'General case' 0 N--CA 1.478 0.95 0 O-C-N 122.097 -0.377 . . . . 25.0 111.707 177.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 60.8 t80 -58.53 -36.39 73.79 Favored 'General case' 0 C--N 1.313 -1.001 0 C-N-CA 121.091 -0.244 . . . . 25.0 111.434 177.105 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -64.03 -38.91 92.81 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 111.972 0.36 . . . . 25.0 111.972 179.448 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 45.6 tt0 -65.39 -41.35 93.78 Favored 'General case' 0 CA--C 1.512 -0.51 0 CA-C-O 121.612 0.72 . . . . 25.0 109.114 -178.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 40.0 t80 -64.2 -43.22 95.72 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.811 0.815 . . . . 25.0 110.604 178.74 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.322 -0.624 0 CA-C-N 115.144 -0.935 . . . . 25.0 111.603 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 97.5 mttt . . . . . 0 CA--C 1.509 -0.599 0 N-CA-C 112.874 0.694 . . . . 25.0 112.874 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.41 -29.07 69.7 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 112.926 0.713 . . . . 25.0 112.926 -176.084 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 94.4 mm-40 -63.64 -41.34 98.25 Favored 'General case' 0 N--CA 1.456 -0.144 0 CA-C-O 122.06 0.934 . . . . 25.0 110.109 178.056 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 28.5 mt -69.78 -39.64 78.14 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.885 0 CA-C-N 114.564 -1.198 . . . . 25.0 109.015 -178.21 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 92.7 mtp -62.54 -42.2 99.38 Favored 'General case' 0 C--N 1.309 -1.168 0 N-CA-C 111.982 0.364 . . . . 25.0 111.982 176.736 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.22 -41.95 89.85 Favored 'General case' 0 C--O 1.223 -0.304 0 CA-C-O 121.245 0.545 . . . . 25.0 110.774 179.453 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.52 -46.9 83.93 Favored 'General case' 0 CA--C 1.548 0.896 0 CA-C-O 121.663 0.744 . . . . 25.0 110.17 -178.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 58.0 mt -67.85 -36.59 80.58 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.523 0.678 . . . . 25.0 110.464 -177.654 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 63.7 m-20 -63.15 -36.3 83.17 Favored 'General case' 0 CA--C 1.508 -0.653 0 CA-C-N 116.096 -0.502 . . . . 25.0 111.503 178.718 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 42.4 t -63.21 -40.77 98.43 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 123.074 0.234 . . . . 25.0 110.822 179.088 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 89.3 mm-40 -76.22 -24.07 54.62 Favored 'General case' 0 C--N 1.332 -0.163 0 N-CA-C 112.329 0.492 . . . . 25.0 112.329 -175.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 38.4 p -104.37 -8.29 19.31 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 113.294 0.85 . . . . 25.0 113.294 -173.193 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -49.92 -63.57 1.07 Allowed 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 113.458 0.91 . . . . 25.0 113.458 -174.668 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 8.3 p -68.72 -32.18 53.88 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 O-C-N 121.292 -0.88 . . . . 25.0 111.599 -175.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 66.2 tt0 -64.48 -45.15 88.57 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 121.096 0.474 . . . . 25.0 109.993 -179.698 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 16.2 m-30 -75.34 -28.45 59.6 Favored 'General case' 0 C--O 1.212 -0.897 0 CA-C-N 115.674 -0.694 . . . . 25.0 110.275 179.246 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.424 ' HA ' HD11 ' A' ' 38' ' ' ILE . 39.2 tt0 -62.26 -43.61 98.44 Favored 'General case' 0 C--N 1.323 -0.582 0 O-C-N 121.404 -0.81 . . . . 25.0 112.577 178.68 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -61.79 -42.17 98.66 Favored 'General case' 0 C--O 1.239 0.549 0 N-CA-C 109.303 -0.629 . . . . 25.0 109.303 178.283 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 83.8 t80 -66.67 -44.19 82.48 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 111.91 0.337 . . . . 25.0 111.91 176.802 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.428 ' HA ' HD23 ' A' ' 37' ' ' LEU . . . -60.66 -38.09 83.7 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-O 121.148 0.499 . . . . 25.0 111.72 -177.629 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.17 -28.39 69.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.811 -0.632 . . . . 25.0 109.414 179.532 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -79.37 -19.26 50.59 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.814 -0.175 . . . . 25.0 110.746 -178.647 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 94.2 mm-40 -96.95 -44.87 6.83 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 122.134 -0.354 . . . . 25.0 111.883 -179.251 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -121.54 73.62 31.5 Favored Pre-proline 0 C--O 1.25 1.092 0 N-CA-C 108.677 -0.86 . . . . 25.0 108.677 178.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -68.59 137.39 38.95 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 116.475 -1.883 . . . . 25.0 113.741 -174.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 83.37 -21.63 8.39 Favored Glycine 0 N--CA 1.446 -0.644 0 N-CA-C 115.322 0.889 . . . . 25.0 115.322 -177.759 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 22.9 m120 -94.74 85.42 4.45 Favored 'General case' 0 N--CA 1.471 0.623 0 O-C-N 121.436 -1.038 . . . . 25.0 111.371 -175.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 64.2 t80 -54.44 -43.76 71.9 Favored 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 112.801 0.667 . . . . 25.0 112.801 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 20.4 pt-20 -61.26 -46.45 90.3 Favored 'General case' 0 C--O 1.206 -1.237 0 O-C-N 122.078 -0.389 . . . . 25.0 112.029 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 87.3 mm-40 -67.84 -35.71 79.06 Favored 'General case' 0 CA--C 1.509 -0.612 0 CA-C-O 121.701 0.762 . . . . 25.0 111.949 179.413 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 56.1 mt-30 -59.68 -38.98 82.99 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.63 -0.714 . . . . 25.0 110.232 177.44 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 79.6 mm-40 -71.33 -39.16 71.55 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-O 121.798 0.809 . . . . 25.0 110.743 -178.245 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 73.5 mt -62.71 -42.54 96.54 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.587 0 N-CA-C 108.302 -0.999 . . . . 25.0 108.302 178.322 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.428 HD23 ' HA ' ' A' ' 23' ' ' ALA . 37.2 tp -64.24 -47.77 78.36 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.124 0.487 . . . . 25.0 111.339 -178.238 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.424 HD11 ' HA ' ' A' ' 20' ' ' GLN . 59.9 mt -57.28 -42.91 81.11 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.003 0 O-C-N 121.467 -0.771 . . . . 25.0 109.893 178.253 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 7.9 tmm_? -62.02 -41.95 98.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 118.856 -0.592 . . . . 25.0 109.957 178.546 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -64.7 -41.11 96.26 Favored 'General case' 0 C--N 1.311 -1.079 0 CA-C-N 118.395 0.543 . . . . 25.0 110.716 178.486 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 78.3 mt -65.26 -37.4 87.1 Favored 'General case' 0 C--N 1.349 0.577 0 CA-C-O 120.95 0.405 . . . . 25.0 111.834 179.521 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -68.4 -41.57 80.29 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.566 -0.288 . . . . 25.0 110.406 179.433 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -70.52 -32.5 70.0 Favored 'General case' 0 N--CA 1.482 1.143 0 O-C-N 120.607 -1.308 . . . . 25.0 111.267 177.304 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 54.6 tt0 -59.17 -48.7 80.63 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-O 122.26 1.029 . . . . 25.0 109.874 175.045 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 73.6 m80 -73.21 -27.14 61.45 Favored 'General case' 0 C--O 1.25 1.117 0 O-C-N 121.372 -0.83 . . . . 25.0 111.708 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 32.1 t80 -65.88 -36.45 83.45 Favored 'General case' 0 N--CA 1.45 -0.468 0 C-N-CA 119.776 -0.77 . . . . 25.0 110.023 176.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 55.5 mt-30 -64.63 -39.07 93.05 Favored 'General case' 0 N--CA 1.475 0.782 0 N-CA-C 110.104 -0.332 . . . . 25.0 110.104 176.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 47.8 tt0 -62.46 -46.71 87.25 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-O 121.213 0.53 . . . . 25.0 110.459 177.444 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 38.2 t80 -64.48 -38.23 90.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.023 -0.535 . . . . 25.0 110.933 -178.625 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.44 -0.942 0 O-C-N 121.986 -0.446 . . . . 25.0 111.75 178.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 58.9 mttp . . . . . 0 CA--C 1.536 0.413 0 N-CA-C 114.525 1.306 . . . . 25.0 114.525 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 9.6 mp0 -63.52 -27.68 69.43 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 112.943 0.72 . . . . 25.0 112.943 -178.698 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -65.53 -40.09 92.51 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-O 121.664 0.745 . . . . 25.0 109.993 176.608 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 55.3 mt -68.13 -39.89 82.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 108.748 -0.834 . . . . 25.0 108.748 -177.654 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 83.3 mtp -65.18 -37.39 87.22 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.808 -0.633 . . . . 25.0 110.571 177.197 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.34 -38.61 88.05 Favored 'General case' 0 N--CA 1.448 -0.564 0 C-N-CA 120.714 -0.394 . . . . 25.0 110.945 178.796 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.45 -44.63 93.95 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 109.921 -0.4 . . . . 25.0 109.921 178.684 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 68.8 mt -66.37 -33.76 76.43 Favored 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 112.202 0.445 . . . . 25.0 112.202 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -55.72 -41.71 74.24 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 122.482 0.313 . . . . 25.0 110.469 178.618 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 18.6 t -65.94 -34.57 78.42 Favored 'General case' 0 C--O 1.22 -0.462 0 CA-C-O 121.218 0.532 . . . . 25.0 111.009 -177.184 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 28.6 mm100 -75.6 -44.74 41.43 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 113.25 0.833 . . . . 25.0 113.25 -177.536 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 34.2 p -86.86 -1.07 57.51 Favored 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 114.545 1.313 . . . . 25.0 114.545 -173.808 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -43.64 -70.37 0.11 Allowed 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 115.331 1.604 . . . . 25.0 115.331 -171.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 5.6 p -74.92 -24.02 17.8 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 O-C-N 121.643 -0.661 . . . . 25.0 111.044 -177.387 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 60.1 tt0 -64.63 -50.07 68.55 Favored 'General case' 0 C--O 1.238 0.448 0 CA-C-O 121.182 0.515 . . . . 25.0 111.021 -178.273 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 13.5 m-30 -76.24 -22.09 55.58 Favored 'General case' 0 N--CA 1.465 0.288 0 C-N-CA 120.595 -0.442 . . . . 25.0 109.956 -178.509 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.487 ' HA ' HD11 ' A' ' 38' ' ' ILE . 26.4 tt0 -62.34 -38.4 89.33 Favored 'General case' 0 C--O 1.222 -0.383 0 O-C-N 122.047 -0.408 . . . . 25.0 111.512 177.22 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 69.3 mt-30 -65.15 -39.18 92.62 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-O 120.974 0.416 . . . . 25.0 110.283 177.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 45.3 t80 -65.18 -43.78 90.6 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.9 -0.778 . . . . 25.0 108.9 177.213 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.44 -37.98 89.41 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 120.466 -0.494 . . . . 25.0 110.032 -176.485 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.49 -26.15 67.04 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 116.625 -0.261 . . . . 25.0 111.563 178.775 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -74.2 -17.0 60.95 Favored 'General case' 0 C--O 1.218 -0.605 0 O-C-N 121.677 -0.64 . . . . 25.0 111.043 177.158 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 88.5 mm-40 -107.02 -47.23 3.74 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.783 0.66 . . . . 25.0 112.783 -175.58 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -121.05 68.67 17.43 Favored Pre-proline 0 C--O 1.243 0.728 0 CA-C-N 116.375 -0.375 . . . . 25.0 110.992 177.577 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -64.84 140.72 68.3 Favored 'Trans proline' 0 CA--C 1.533 0.468 0 C-N-CA 116.377 -1.949 . . . . 25.0 112.516 -177.301 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 82.28 -21.56 7.02 Favored Glycine 0 CA--C 1.507 -0.416 0 N-CA-C 115.55 0.98 . . . . 25.0 115.55 179.584 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 22.7 m120 -96.76 83.07 3.37 Favored 'General case' 0 C--O 1.219 -0.537 0 CA-C-N 117.667 0.733 . . . . 25.0 110.457 -177.625 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 39.7 t80 -53.02 -45.57 68.0 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 112.494 0.553 . . . . 25.0 112.494 -178.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -62.93 -45.43 92.51 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 120.241 -0.584 . . . . 25.0 110.592 -177.353 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 95.3 mm-40 -68.65 -34.6 75.99 Favored 'General case' 0 CA--C 1.504 -0.808 0 O-C-N 121.105 -0.997 . . . . 25.0 110.42 -177.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -58.0 -38.37 76.02 Favored 'General case' 0 N--CA 1.442 -0.841 0 CA-C-O 120.765 0.317 . . . . 25.0 110.163 173.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 94.8 mm-40 -72.83 -37.92 67.29 Favored 'General case' 0 N--CA 1.48 1.055 0 O-C-N 121.925 -0.484 . . . . 25.0 109.911 -177.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 80.1 mt -62.05 -42.76 96.19 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.198 0 N-CA-C 109.938 -0.393 . . . . 25.0 109.938 177.585 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 30.4 tp -64.44 -45.76 86.09 Favored 'General case' 0 C--O 1.216 -0.704 0 CA-C-N 116.839 -0.164 . . . . 25.0 110.749 176.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.487 HD11 ' HA ' ' A' ' 20' ' ' GLN . 63.1 mt -58.67 -38.6 72.56 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 N-CA-C 109.589 -0.523 . . . . 25.0 109.589 178.827 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.6 tmt_? -58.89 -44.41 91.15 Favored 'General case' 0 C--O 1.24 0.576 0 N-CA-C 109.178 -0.675 . . . . 25.0 109.178 177.766 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 59.5 tt0 -66.69 -40.67 88.62 Favored 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 111.898 0.332 . . . . 25.0 111.898 177.573 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 96.3 mt -62.78 -40.98 99.0 Favored 'General case' 0 C--O 1.212 -0.905 0 N-CA-C 109.812 -0.44 . . . . 25.0 109.812 -179.305 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -70.92 -33.28 70.37 Favored 'General case' 0 C--O 1.216 -0.701 0 CA-C-N 116.548 -0.296 . . . . 25.0 111.312 178.753 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -65.98 -42.28 90.07 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.527 0.679 . . . . 25.0 109.72 175.154 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 55.4 tt0 -67.29 -43.23 82.27 Favored 'General case' 0 C--N 1.316 -0.862 0 O-C-N 121.709 -0.619 . . . . 25.0 110.894 178.806 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 12.9 t-160 -62.65 -41.08 98.84 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 108.968 -0.752 . . . . 25.0 108.968 177.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 44.9 t80 -61.87 -33.08 73.55 Favored 'General case' 0 C--O 1.215 -0.726 0 O-C-N 121.944 -0.472 . . . . 25.0 111.656 179.133 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.92 -42.49 97.38 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.092 0.472 . . . . 25.0 109.969 177.09 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -64.76 -41.18 96.09 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-O 121.246 0.546 . . . . 25.0 109.61 176.231 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 21.1 t80 -62.16 -34.32 76.19 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.322 -0.399 . . . . 25.0 111.255 178.574 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.45 -0.439 0 O-C-N 122.177 -0.327 . . . . 25.0 111.09 176.581 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 23.0 ptmt . . . . . 0 N--CA 1.475 0.777 0 N-CA-C 115.492 1.664 . . . . 25.0 115.492 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 85.0 mt-30 -71.37 -26.92 63.0 Favored 'General case' 0 N--CA 1.486 1.33 0 O-C-N 121.199 -0.938 . . . . 25.0 112.901 -177.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -65.56 -37.21 86.02 Favored 'General case' 0 C--O 1.221 -0.419 0 CA-C-O 121.948 0.88 . . . . 25.0 108.91 176.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 54.6 mt -68.4 -42.91 84.36 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.004 0 CA-C-N 115.175 -0.921 . . . . 25.0 110.379 -179.786 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 75.7 mtp -60.17 -42.51 95.11 Favored 'General case' 0 C--O 1.215 -0.724 0 C-N-CA 120.558 -0.457 . . . . 25.0 111.164 176.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.07 -39.2 74.48 Favored 'General case' 0 CA--C 1.54 0.593 0 O-C-N 121.442 -0.786 . . . . 25.0 112.03 -178.507 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.08 -45.12 86.58 Favored 'General case' 0 C--N 1.312 -1.063 0 CA-C-O 121.94 0.876 . . . . 25.0 110.562 179.219 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 87.4 mt -65.99 -32.69 74.32 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.041 -0.527 . . . . 25.0 110.532 -178.601 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 78.3 m-20 -64.58 -36.17 83.38 Favored 'General case' 0 N--CA 1.435 -1.189 0 CA-C-O 120.884 0.373 . . . . 25.0 110.085 -178.6 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 19.6 m -65.18 -42.49 93.6 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.559 0.695 . . . . 25.0 111.542 177.398 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 27.8 mm100 -72.14 -37.9 69.32 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 114.033 1.123 . . . . 25.0 114.033 -177.136 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 41.6 p -90.91 2.14 56.44 Favored 'General case' 0 C--N 1.313 -1.011 0 N-CA-C 113.406 0.891 . . . . 25.0 113.406 -177.523 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -50.68 -69.38 0.11 Allowed 'General case' 0 CA--C 1.546 0.799 0 N-CA-C 113.439 0.904 . . . . 25.0 113.439 -173.249 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.9 p -72.74 -26.66 23.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 O-C-N 121.134 -0.979 . . . . 25.0 110.2 -177.008 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 44.2 tt0 -59.5 -45.56 91.34 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.264 0.555 . . . . 25.0 110.406 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 12.7 m-30 -84.01 -22.43 31.35 Favored 'General case' 0 C--O 1.246 0.869 0 CA-C-O 121.356 0.598 . . . . 25.0 111.679 -178.153 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.513 ' HA ' HD11 ' A' ' 38' ' ' ILE . 59.4 tt0 -61.99 -36.58 81.93 Favored 'General case' 0 C--O 1.217 -0.643 0 CA-C-N 116.078 -0.51 . . . . 25.0 110.57 -179.59 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 98.1 mm-40 -60.99 -43.04 99.42 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 120.741 -0.383 . . . . 25.0 110.658 179.089 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 67.9 t80 -69.53 -44.57 70.7 Favored 'General case' 0 C--O 1.242 0.69 0 CA-C-O 121.162 0.506 . . . . 25.0 111.129 177.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.52 -34.96 73.29 Favored 'General case' 0 C--O 1.226 -0.166 0 O-C-N 121.511 -0.743 . . . . 25.0 111.375 -179.501 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.47 -24.26 64.68 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.141 0.422 . . . . 25.0 112.141 -178.187 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -79.19 -27.73 42.61 Favored 'General case' 0 C--O 1.242 0.659 0 O-C-N 122.26 -0.275 . . . . 25.0 110.266 178.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 84.6 mm-40 -89.58 -46.74 8.44 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 122.834 0.454 . . . . 25.0 111.326 -174.594 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -120.23 69.95 15.26 Favored Pre-proline 0 CA--C 1.528 0.118 0 CA-C-O 120.894 0.378 . . . . 25.0 110.676 177.661 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_endo -69.88 140.32 41.95 Favored 'Trans proline' 0 C--N 1.35 0.614 0 C-N-CA 116.596 -1.803 . . . . 25.0 113.744 -179.136 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 83.32 -11.33 55.87 Favored Glycine 0 C--N 1.346 1.132 0 N-CA-C 116.422 1.329 . . . . 25.0 116.422 -178.159 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -114.47 87.03 2.55 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 118.587 1.194 . . . . 25.0 109.584 -174.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 72.8 t80 -52.75 -48.05 67.01 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 113.018 0.747 . . . . 25.0 113.018 179.596 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -58.84 -45.57 89.73 Favored 'General case' 0 C--O 1.216 -0.695 0 N-CA-C 112.9 0.704 . . . . 25.0 112.9 -179.007 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 96.7 mm-40 -68.66 -35.66 77.54 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.037 0.446 . . . . 25.0 110.758 -178.23 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -59.3 -36.8 76.27 Favored 'General case' 0 C--O 1.205 -1.279 0 C-N-CA 120.193 -0.603 . . . . 25.0 110.262 173.706 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 85.0 mm-40 -70.58 -41.43 72.37 Favored 'General case' 0 N--CA 1.47 0.572 0 O-C-N 121.529 -0.732 . . . . 25.0 110.518 -177.707 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 68.7 mt -62.39 -41.92 93.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 N-CA-C 108.849 -0.797 . . . . 25.0 108.849 178.65 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 25.7 tp -65.19 -48.08 74.68 Favored 'General case' 0 N--CA 1.452 -0.354 0 O-C-N 122.08 -0.387 . . . . 25.0 110.146 -178.58 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.513 HD11 ' HA ' ' A' ' 20' ' ' GLN . 66.1 mt -57.71 -37.61 60.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 O-C-N 122.038 -0.414 . . . . 25.0 110.951 178.101 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.14 -42.34 90.44 Favored 'General case' 0 C--O 1.21 -1.01 0 CA-C-O 121.208 0.528 . . . . 25.0 111.989 179.029 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -71.21 -36.44 71.89 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 120.457 -0.497 . . . . 25.0 111.214 178.554 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 66.9 mt -63.0 -39.43 94.73 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 120.87 -0.332 . . . . 25.0 110.402 176.159 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 -68.26 -35.07 77.33 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 123.322 0.649 . . . . 25.0 111.297 178.797 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -59.18 -44.3 92.19 Favored 'General case' 0 N--CA 1.464 0.267 0 C-N-CA 120.3 -0.56 . . . . 25.0 110.246 175.74 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -71.23 -37.36 72.03 Favored 'General case' 0 C--O 1.217 -0.653 0 CA-C-N 116.223 -0.444 . . . . 25.0 111.815 177.796 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 55.2 t60 -63.17 -29.68 70.98 Favored 'General case' 0 C--N 1.314 -0.973 0 N-CA-C 111.691 0.256 . . . . 25.0 111.691 176.683 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 85.8 t80 -61.67 -31.8 71.94 Favored 'General case' 0 C--N 1.318 -0.767 0 O-C-N 122.067 -0.396 . . . . 25.0 110.59 177.167 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 -67.14 -41.52 85.96 Favored 'General case' 0 C--O 1.211 -0.925 0 C-N-CA 120.981 -0.287 . . . . 25.0 110.89 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 18.5 tt0 -62.16 -38.99 91.14 Favored 'General case' 0 CA--C 1.518 -0.262 0 O-C-N 121.703 -0.623 . . . . 25.0 110.74 179.078 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 28.2 t80 -63.77 -43.72 95.55 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.929 -0.578 . . . . 25.0 110.953 179.364 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 36.2 mmt . . . . . 0 CA--C 1.514 -0.441 0 O-C-N 121.572 -0.705 . . . . 25.0 111.625 178.739 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 55.4 mtpt . . . . . 0 N--CA 1.451 -0.416 0 CA-C-O 121.632 0.729 . . . . 25.0 110.569 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 18.3 pt20 -66.77 -23.62 66.1 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 113.012 0.745 . . . . 25.0 113.012 -179.049 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -71.67 -36.66 70.72 Favored 'General case' 0 C--O 1.218 -0.565 0 O-C-N 120.761 -1.212 . . . . 25.0 110.141 175.482 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 47.9 mt -67.57 -39.6 82.67 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.36 0 N-CA-C 108.44 -0.948 . . . . 25.0 108.44 178.355 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 77.5 mtp -63.46 -42.24 98.61 Favored 'General case' 0 C--O 1.206 -1.217 0 CA-C-N 115.917 -0.583 . . . . 25.0 112.31 177.214 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.36 -40.93 92.54 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-O 121.916 0.865 . . . . 25.0 110.637 -179.678 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.26 -47.09 71.75 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.248 -0.887 . . . . 25.0 110.393 -179.306 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 79.0 mt -64.06 -39.87 95.01 Favored 'General case' 0 C--O 1.242 0.66 0 O-C-N 121.101 -0.999 . . . . 25.0 111.51 -179.917 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 50.0 m-20 -64.13 -30.05 71.14 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.197 -0.456 . . . . 25.0 110.92 179.708 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 49.3 m -62.74 -36.2 82.27 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-O 120.7 0.286 . . . . 25.0 110.984 179.016 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -75.6 -27.07 58.35 Favored 'General case' 0 C--O 1.241 0.658 0 N-CA-C 113.458 0.91 . . . . 25.0 113.458 179.824 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 59.7 p -105.95 -5.22 19.79 Favored 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 114.809 1.411 . . . . 25.0 114.809 -170.462 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -48.97 -69.75 0.11 Allowed 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 114.091 1.145 . . . . 25.0 114.091 -175.065 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.5 p -68.89 -26.98 33.88 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-O 121.72 0.771 . . . . 25.0 110.258 -177.723 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 50.0 tt0 -64.5 -50.27 68.06 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.266 0.555 . . . . 25.0 111.647 -177.91 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 18.7 m-30 -75.27 -21.72 58.33 Favored 'General case' 0 C--N 1.315 -0.919 0 C-N-CA 119.185 -1.006 . . . . 25.0 110.882 -178.719 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.448 ' HA ' HD11 ' A' ' 38' ' ' ILE . 45.5 tt0 -60.92 -36.31 78.97 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 122.597 0.359 . . . . 25.0 111.202 179.593 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -70.58 -38.77 74.11 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 120.948 -0.301 . . . . 25.0 111.232 179.431 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 56.1 t80 -69.57 -36.75 76.58 Favored 'General case' 0 C--O 1.22 -0.466 0 N-CA-C 109.918 -0.401 . . . . 25.0 109.918 176.02 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.95 -42.45 97.3 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.884 -0.413 . . . . 25.0 109.884 178.753 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.51 -29.43 70.47 Favored 'General case' 0 C--O 1.205 -1.25 0 C-N-CA 120.208 -0.597 . . . . 25.0 111.278 179.231 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 37.4 tt0 -69.71 -30.79 68.5 Favored 'General case' 0 C--O 1.21 -1.026 0 CA-C-O 121.102 0.477 . . . . 25.0 109.986 178.025 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 5.5 mm-40 -89.64 -46.84 8.35 Favored 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 113.795 1.035 . . . . 25.0 113.795 -175.515 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -123.09 70.72 42.04 Favored Pre-proline 0 C--O 1.238 0.497 0 O-C-N 123.634 0.584 . . . . 25.0 110.321 179.527 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_endo -67.07 135.15 36.47 Favored 'Trans proline' 0 CA--C 1.539 0.735 0 C-N-CA 117.969 -0.888 . . . . 25.0 112.469 -172.95 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 81.99 -14.62 31.42 Favored Glycine 0 CA--C 1.536 1.361 0 CA-C-N 115.91 -0.586 . . . . 25.0 114.415 179.646 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -100.48 85.75 3.02 Favored 'General case' 0 C--O 1.217 -0.628 0 CA-C-N 117.828 0.814 . . . . 25.0 110.892 -176.662 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 60.1 t80 -52.23 -48.14 65.3 Favored 'General case' 0 CA--C 1.507 -0.706 0 N-CA-C 112.737 0.643 . . . . 25.0 112.737 -179.16 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -61.95 -46.08 90.88 Favored 'General case' 0 N--CA 1.478 0.933 0 N-CA-C 111.823 0.305 . . . . 25.0 111.823 -179.004 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.403 ' HA ' HD12 ' A' ' 36' ' ' ILE . 26.8 mm100 -65.59 -35.7 81.59 Favored 'General case' 0 C--N 1.318 -0.768 0 O-C-N 121.418 -0.801 . . . . 25.0 110.29 -179.638 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 70.8 mt-30 -61.79 -37.02 82.81 Favored 'General case' 0 N--CA 1.439 -1.018 0 C-N-CA 120.061 -0.656 . . . . 25.0 110.892 176.65 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 98.2 mm-40 -72.32 -36.66 68.92 Favored 'General case' 0 C--O 1.243 0.759 0 CA-C-O 120.977 0.418 . . . . 25.0 110.854 -178.384 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.403 HD12 ' HA ' ' A' ' 33' ' ' GLN . 56.4 mt -62.98 -42.43 96.61 Favored 'Isoleucine or valine' 0 C--O 1.258 1.528 0 O-C-N 122.0 -0.437 . . . . 25.0 110.986 175.688 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 42.5 tp -64.19 -47.65 78.97 Favored 'General case' 0 C--O 1.212 -0.896 0 C-N-CA 119.812 -0.755 . . . . 25.0 110.638 -179.687 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.448 HD11 ' HA ' ' A' ' 20' ' ' GLN . 63.9 mt -56.97 -42.4 78.85 Favored 'Isoleucine or valine' 0 C--O 1.249 1.044 0 O-C-N 121.925 -0.484 . . . . 25.0 110.716 179.037 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.82 -37.64 79.74 Favored 'General case' 0 C--O 1.24 0.589 0 O-C-N 122.036 -0.415 . . . . 25.0 112.086 179.025 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 12.4 tm0? -71.62 -43.89 65.38 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 117.751 0.251 . . . . 25.0 110.343 177.897 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 84.9 mt -59.58 -43.7 93.55 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-O 121.828 0.823 . . . . 25.0 110.899 -177.178 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -63.8 -35.36 80.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.94 -0.573 . . . . 25.0 110.197 -176.918 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -70.93 -36.38 72.61 Favored 'General case' 0 C--N 1.321 -0.668 0 O-C-N 122.025 -0.422 . . . . 25.0 111.919 179.196 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 45.4 tt0 -69.26 -41.31 77.06 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-O 121.27 0.557 . . . . 25.0 110.999 176.223 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 68.8 m-70 -66.79 -28.12 68.13 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 122.29 1.043 . . . . 25.0 111.16 178.688 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 69.2 t80 -61.88 -33.58 74.46 Favored 'General case' 0 CA--C 1.544 0.744 0 O-C-N 121.651 -0.656 . . . . 25.0 111.046 176.71 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 73.0 mt-30 -63.86 -39.84 95.16 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.58 0.705 . . . . 25.0 111.235 -179.969 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 46.0 tt0 -62.38 -41.65 98.81 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 121.773 -0.579 . . . . 25.0 109.636 -179.261 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 35.7 t80 -64.84 -42.73 94.7 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 116.085 -0.507 . . . . 25.0 111.12 179.507 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.284 0 CA-C-O 121.529 0.681 . . . . 25.0 111.725 178.846 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 55.5 pttt . . . . . 0 C--O 1.221 -0.418 0 N-CA-C 110.06 -0.348 . . . . 25.0 110.06 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -72.62 -23.94 61.0 Favored 'General case' 0 C--O 1.211 -0.921 0 N-CA-C 113.868 1.062 . . . . 25.0 113.868 -177.188 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 13.7 mm-40 -59.7 -43.07 94.25 Favored 'General case' 0 C--O 1.211 -0.969 0 CA-C-O 121.992 0.901 . . . . 25.0 109.246 174.204 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 81.1 mt -69.23 -38.88 78.46 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.024 0 N-CA-C 108.522 -0.918 . . . . 25.0 108.522 -177.304 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 78.8 mtp -61.99 -42.16 98.84 Favored 'General case' 0 C--O 1.207 -1.175 0 N-CA-C 109.434 -0.58 . . . . 25.0 109.434 179.454 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.49 -39.71 94.35 Favored 'General case' 0 CA--C 1.55 0.961 0 CA-C-N 118.175 0.443 . . . . 25.0 110.204 179.803 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.47 -46.3 86.8 Favored 'General case' 0 N--CA 1.477 0.909 0 CA-C-O 121.375 0.607 . . . . 25.0 110.956 178.72 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 89.6 mt -65.03 -35.99 82.93 Favored 'General case' 0 CA--C 1.498 -1.03 0 CA-C-N 116.062 -0.517 . . . . 25.0 112.02 177.99 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 82.1 m-20 -64.92 -39.87 94.19 Favored 'General case' 0 C--O 1.212 -0.906 0 C-N-CA 120.638 -0.425 . . . . 25.0 110.254 -178.359 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 32.1 t -71.71 -42.76 66.98 Favored 'General case' 0 C--O 1.241 0.645 0 C-N-CA 120.8 -0.36 . . . . 25.0 111.392 177.763 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -61.06 -41.36 96.48 Favored 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 113.472 0.916 . . . . 25.0 113.472 -179.333 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 71.6 p -99.36 -4.91 30.56 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 115.077 1.51 . . . . 25.0 115.077 -171.551 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -45.33 -65.18 0.57 Allowed 'General case' 0 CA--C 1.532 0.259 0 N-CA-C 114.093 1.146 . . . . 25.0 114.093 -173.032 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 8.4 p -72.16 -28.25 28.93 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 C-N-CA 120.742 -0.383 . . . . 25.0 110.952 -172.976 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 6.2 mp0 -63.42 -45.5 90.66 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-O 121.18 0.514 . . . . 25.0 111.722 177.997 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 19.6 m-30 -79.61 -23.59 42.56 Favored 'General case' 0 N--CA 1.445 -0.689 0 O-C-N 121.575 -0.703 . . . . 25.0 111.445 -177.832 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.403 ' HA ' HD11 ' A' ' 38' ' ' ILE . 37.2 tt0 -60.5 -38.97 86.07 Favored 'General case' 0 C--O 1.213 -0.855 0 N-CA-C 112.344 0.498 . . . . 25.0 112.344 178.161 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -62.77 -42.91 99.91 Favored 'General case' 0 C--N 1.32 -0.691 0 C-N-CA 120.289 -0.564 . . . . 25.0 110.536 -179.366 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 33.9 t80 -67.98 -42.56 80.63 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 115.566 -0.743 . . . . 25.0 110.999 176.925 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.25 -35.39 77.14 Favored 'General case' 0 C--O 1.215 -0.714 0 CA-C-O 121.478 0.656 . . . . 25.0 110.137 -178.547 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.62 -25.01 66.39 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.661 0.743 . . . . 25.0 112.422 179.444 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -79.24 -26.48 42.47 Favored 'General case' 0 C--O 1.212 -0.892 0 O-C-N 121.723 -0.61 . . . . 25.0 110.597 177.281 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 30.5 mm-40 -86.31 -46.32 10.42 Favored 'General case' 0 N--CA 1.469 0.525 0 N-CA-C 113.527 0.936 . . . . 25.0 113.527 178.47 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 29.6 m-85 -124.06 73.12 56.31 Favored Pre-proline 0 C--O 1.245 0.817 0 CA-C-N 116.022 -0.535 . . . . 25.0 109.619 179.698 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -71.78 138.67 32.16 Favored 'Trans proline' 0 C--N 1.356 0.951 0 C-N-CA 117.307 -1.328 . . . . 25.0 114.388 -176.232 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.98 -12.0 19.5 Favored Glycine 0 N--CA 1.45 -0.394 0 N-CA-C 115.826 1.091 . . . . 25.0 115.826 -176.669 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 21.6 m120 -105.22 87.82 2.72 Favored 'General case' 0 N--CA 1.482 1.15 0 CA-C-O 121.424 0.63 . . . . 25.0 111.781 -176.788 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 81.7 t80 -56.87 -44.19 81.97 Favored 'General case' 0 N--CA 1.477 0.91 0 N-CA-C 112.678 0.621 . . . . 25.0 112.678 -179.873 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -60.54 -46.33 90.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.286 -0.416 . . . . 25.0 110.064 -179.218 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.406 ' HA ' HD12 ' A' ' 36' ' ' ILE . 94.7 mm-40 -70.31 -35.56 73.74 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 118.762 0.71 . . . . 25.0 111.254 -177.068 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 61.2 mt-30 -57.23 -38.0 73.13 Favored 'General case' 0 N--CA 1.479 0.989 0 CA-C-N 116.01 -0.541 . . . . 25.0 110.35 175.187 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 93.2 mm-40 -71.49 -39.66 70.72 Favored 'General case' 0 N--CA 1.441 -0.884 0 C-N-CA 120.373 -0.531 . . . . 25.0 111.902 -179.869 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.406 HD12 ' HA ' ' A' ' 33' ' ' GLN . 76.9 mt -63.43 -34.13 65.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 N-CA-C 107.791 -1.188 . . . . 25.0 107.791 -178.011 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 29.3 tp -71.31 -47.03 59.22 Favored 'General case' 0 C--O 1.221 -0.397 0 N-CA-C 113.195 0.813 . . . . 25.0 113.195 176.383 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.403 HD11 ' HA ' ' A' ' 20' ' ' GLN . 43.2 mt -57.28 -41.73 78.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 N-CA-C 109.587 -0.523 . . . . 25.0 109.587 178.589 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 60.6 ttp180 -59.55 -42.81 93.24 Favored 'General case' 0 C--O 1.21 -1.022 0 N-CA-C 112.066 0.395 . . . . 25.0 112.066 178.341 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -62.32 -42.6 99.51 Favored 'General case' 0 C--O 1.22 -0.456 0 O-C-N 123.343 0.402 . . . . 25.0 111.82 176.444 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 71.0 mt -64.48 -38.7 91.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 121.588 -0.695 . . . . 25.0 111.499 179.215 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -70.43 -37.29 74.38 Favored 'General case' 0 C--N 1.32 -0.713 0 O-C-N 122.075 -0.391 . . . . 25.0 111.34 -178.271 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -66.23 -37.7 86.15 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-N 115.576 -0.738 . . . . 25.0 109.428 175.974 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -66.14 -44.98 82.6 Favored 'General case' 0 C--O 1.243 0.731 0 O-C-N 121.938 -0.476 . . . . 25.0 110.146 176.496 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 73.3 t60 -63.91 -24.66 67.82 Favored 'General case' 0 C--O 1.224 -0.269 0 C-N-CA 122.457 0.303 . . . . 25.0 111.419 -178.764 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 28.0 t80 -59.23 -35.5 73.75 Favored 'General case' 0 N--CA 1.48 1.048 0 O-C-N 122.065 -0.397 . . . . 25.0 110.721 176.64 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 81.2 mt-30 -63.01 -46.03 89.58 Favored 'General case' 0 CA--C 1.547 0.838 0 CA-C-O 121.733 0.778 . . . . 25.0 110.956 177.868 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 44.3 tt0 -69.14 -41.79 76.83 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 115.658 -0.701 . . . . 25.0 110.564 -178.414 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 46.6 t80 -61.61 -35.68 78.56 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.021 0.438 . . . . 25.0 110.561 -179.041 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.508 -0.663 0 C-N-CA 120.169 -0.613 . . . . 25.0 112.184 177.567 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.6 mppt? . . . . . 0 N--CA 1.48 1.043 0 N-CA-C 112.551 0.575 . . . . 25.0 112.551 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 53.7 mt-30 -70.83 -24.8 62.61 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 121.612 -0.68 . . . . 25.0 111.918 179.713 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 82.4 mm-40 -61.91 -39.84 93.38 Favored 'General case' 0 C--O 1.209 -1.073 0 N-CA-C 107.086 -1.45 . . . . 25.0 107.086 178.368 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 30.5 mt -66.59 -43.1 90.73 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.838 0 CA-C-O 121.242 0.544 . . . . 25.0 110.488 179.547 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 87.5 mtp -61.67 -39.38 91.21 Favored 'General case' 0 C--O 1.216 -0.677 0 CA-C-N 116.135 -0.484 . . . . 25.0 110.491 -178.298 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.81 -36.57 83.88 Favored 'General case' 0 CA--C 1.553 1.068 0 N-CA-C 112.51 0.559 . . . . 25.0 112.51 178.644 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.49 -46.07 87.83 Favored 'General case' 0 C--O 1.248 0.977 0 N-CA-C 108.576 -0.898 . . . . 25.0 108.576 177.263 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 90.8 mt -64.89 -38.05 89.67 Favored 'General case' 0 C--O 1.209 -1.062 0 N-CA-C 112.614 0.598 . . . . 25.0 112.614 177.542 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -65.55 -35.4 80.75 Favored 'General case' 0 C--N 1.316 -0.872 0 N-CA-C 109.135 -0.691 . . . . 25.0 109.135 -178.54 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 27.1 m -66.48 -38.34 87.07 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.919 -0.582 . . . . 25.0 111.097 176.38 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 82.1 mm-40 -74.7 -16.27 60.76 Favored 'General case' 0 N--CA 1.475 0.786 0 N-CA-C 113.199 0.815 . . . . 25.0 113.199 -179.619 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 52.1 p -124.22 0.79 8.44 Favored 'General case' 0 N--CA 1.478 0.931 0 N-CA-C 113.816 1.043 . . . . 25.0 113.816 -174.945 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -49.16 -51.93 29.5 Favored 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 112.981 0.734 . . . . 25.0 112.981 -172.579 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.9 p -79.54 -32.19 14.47 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.626 0 N-CA-C 112.629 0.603 . . . . 25.0 112.629 -177.723 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 6.5 mp0 -64.62 -42.6 95.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 121.623 -0.673 . . . . 25.0 110.265 178.606 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 15.5 m-30 -73.6 -27.6 61.38 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.964 -0.562 . . . . 25.0 112.262 179.55 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.413 ' HA ' HD11 ' A' ' 38' ' ' ILE . 7.4 tm0? -67.51 -45.45 75.76 Favored 'General case' 0 C--O 1.216 -0.659 0 O-C-N 121.821 -0.549 . . . . 25.0 111.128 172.86 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -62.2 -38.93 91.03 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 118.882 0.765 . . . . 25.0 110.79 177.183 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 61.4 t80 -64.54 -44.71 89.96 Favored 'General case' 0 C--O 1.215 -0.754 0 O-C-N 123.553 0.533 . . . . 25.0 112.416 178.337 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.66 -32.27 73.74 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-O 122.276 1.036 . . . . 25.0 110.541 179.639 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.78 -28.57 67.72 Favored 'General case' 0 N--CA 1.443 -0.784 0 O-C-N 121.431 -0.793 . . . . 25.0 109.216 -179.523 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 19.2 tt0 -77.2 -18.66 57.58 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.101 -0.954 . . . . 25.0 112.81 -179.583 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 87.0 mm-40 -97.93 -45.48 6.27 Favored 'General case' 0 CA--C 1.514 -0.404 0 CA-C-N 115.575 -0.738 . . . . 25.0 111.535 -178.397 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 25.6 m-85 -124.69 68.37 52.6 Favored Pre-proline 0 C--N 1.326 -0.435 0 C-N-CA 122.869 0.467 . . . . 25.0 110.928 178.849 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_endo -65.63 138.71 55.23 Favored 'Trans proline' 0 C--N 1.356 0.97 0 C-N-CA 116.693 -1.738 . . . . 25.0 113.841 -176.374 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 86.84 -30.13 4.76 Favored Glycine 0 CA--C 1.529 0.913 0 O-C-N 125.148 1.53 . . . . 25.0 114.267 -177.129 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -94.88 84.35 4.16 Favored 'General case' 0 C--O 1.216 -0.66 0 CA-C-N 119.294 1.547 . . . . 25.0 111.161 -174.062 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 59.8 t80 -54.16 -42.0 69.1 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-O 121.177 0.513 . . . . 25.0 112.254 178.597 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -61.15 -43.78 98.34 Favored 'General case' 0 C--O 1.217 -0.643 0 O-C-N 120.745 -1.222 . . . . 25.0 111.493 -179.178 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 98.2 mm-40 -72.14 -32.22 66.71 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-O 121.002 0.429 . . . . 25.0 110.872 -179.887 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 70.8 mt-30 -61.72 -34.91 76.64 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 115.926 -0.579 . . . . 25.0 110.132 175.263 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 93.2 mm-40 -76.13 -36.51 58.79 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 121.037 -0.265 . . . . 25.0 110.869 -178.621 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 84.3 mt -63.03 -42.25 95.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 N-CA-C 109.166 -0.679 . . . . 25.0 109.166 176.588 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 42.2 tp -65.77 -46.57 78.26 Favored 'General case' 0 C--N 1.319 -0.742 0 C-N-CA 120.521 -0.471 . . . . 25.0 110.553 -176.685 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.413 HD11 ' HA ' ' A' ' 20' ' ' GLN . 72.0 mt -61.39 -36.57 73.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 N-CA-C 109.947 -0.39 . . . . 25.0 109.947 -179.159 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.5 tmt_? -56.07 -42.47 76.72 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 120.782 -0.367 . . . . 25.0 110.949 175.616 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -69.77 -43.34 72.37 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 120.927 -0.309 . . . . 25.0 110.958 178.275 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 85.9 mt -61.63 -41.34 97.35 Favored 'General case' 0 C--N 1.318 -0.784 0 O-C-N 122.216 -0.303 . . . . 25.0 111.468 -176.687 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -64.63 -38.25 90.37 Favored 'General case' 0 C--O 1.244 0.785 0 CA-C-O 121.358 0.599 . . . . 25.0 112.301 -178.437 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -74.43 -45.81 44.04 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-O 121.06 0.457 . . . . 25.0 110.819 -179.038 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 -62.68 -37.19 85.45 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 122.812 0.445 . . . . 25.0 112.0 -179.287 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 72.4 t60 -65.26 -37.36 86.95 Favored 'General case' 0 C--O 1.213 -0.821 0 CA-C-O 120.974 0.416 . . . . 25.0 109.917 177.105 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 52.3 t80 -63.46 -31.12 72.18 Favored 'General case' 0 C--O 1.218 -0.604 0 C-N-CA 120.036 -0.666 . . . . 25.0 111.241 177.839 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 88.9 mm-40 -66.52 -40.07 88.97 Favored 'General case' 0 C--O 1.238 0.46 0 N-CA-C 109.886 -0.413 . . . . 25.0 109.886 177.537 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -64.8 -46.92 80.01 Favored 'General case' 0 CA--C 1.51 -0.577 0 CA-C-O 121.447 0.641 . . . . 25.0 110.056 177.23 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 51.2 t80 -59.26 -38.5 80.24 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.996 -0.547 . . . . 25.0 110.673 -179.373 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.537 0.45 0 O-C-N 121.989 -0.444 . . . . 25.0 111.971 178.573 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 67.5 mttm . . . . . 0 N--CA 1.474 0.771 0 N-CA-C 114.845 1.424 . . . . 25.0 114.845 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -66.64 -22.66 66.1 Favored 'General case' 0 C--O 1.206 -1.21 0 C-N-CA 123.357 0.663 . . . . 25.0 110.429 173.237 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 35.5 mm-40 -58.53 -39.76 81.05 Favored 'General case' 0 C--O 1.217 -0.646 0 CA-C-O 122.618 1.199 . . . . 25.0 109.665 173.372 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 42.3 mt -73.36 -36.01 47.73 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.638 0 N-CA-C 107.128 -1.434 . . . . 25.0 107.128 -177.765 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 74.1 mtp -64.6 -42.94 95.22 Favored 'General case' 0 C--O 1.21 -0.992 0 O-C-N 121.025 -1.047 . . . . 25.0 111.969 177.924 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.97 -43.38 91.36 Favored 'General case' 0 N--CA 1.44 -0.955 0 O-C-N 122.022 -0.424 . . . . 25.0 110.442 177.406 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.03 -46.85 85.62 Favored 'General case' 0 CA--C 1.549 0.913 0 CA-C-O 121.037 0.446 . . . . 25.0 110.09 179.831 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 89.8 mt -67.19 -37.08 83.07 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-O 120.976 0.417 . . . . 25.0 111.095 -178.055 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 74.3 m-20 -65.79 -39.13 90.65 Favored 'General case' 0 C--O 1.216 -0.668 0 CA-C-N 116.505 -0.316 . . . . 25.0 110.184 -179.551 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 44.3 t -61.68 -45.5 93.72 Favored 'General case' 0 C--O 1.24 0.564 0 CA-C-O 121.602 0.715 . . . . 25.0 110.788 177.007 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 17.5 mm-40 -65.47 -24.34 67.14 Favored 'General case' 0 N--CA 1.474 0.769 0 N-CA-C 113.341 0.867 . . . . 25.0 113.341 -178.23 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 56.1 p -115.29 5.97 14.82 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 113.264 0.839 . . . . 25.0 113.264 -175.183 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -49.02 -66.97 0.31 Allowed 'General case' 0 N--CA 1.478 0.974 0 N-CA-C 113.781 1.03 . . . . 25.0 113.781 -174.586 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 8.8 p -70.09 -27.94 34.28 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 CA-C-O 121.241 0.544 . . . . 25.0 110.279 -178.131 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.1 tm0? -62.53 -49.72 74.2 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.222 -0.444 . . . . 25.0 111.647 -178.151 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 20.7 m-30 -81.63 -20.55 39.45 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.327 -0.397 . . . . 25.0 110.417 178.088 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.513 ' HA ' HD11 ' A' ' 38' ' ' ILE . 57.4 tt0 -59.93 -41.0 90.8 Favored 'General case' 0 C--O 1.218 -0.577 0 C-N-CA 120.276 -0.57 . . . . 25.0 112.368 176.432 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 90.7 mm-40 -69.97 -34.13 72.99 Favored 'General case' 0 C--O 1.216 -0.679 0 CA-C-N 118.373 0.533 . . . . 25.0 111.288 179.74 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 78.7 t80 -67.61 -40.02 84.74 Favored 'General case' 0 C--N 1.318 -0.788 0 O-C-N 121.849 -0.532 . . . . 25.0 110.195 176.175 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.486 ' HA ' HD23 ' A' ' 37' ' ' LEU . . . -62.98 -37.77 88.48 Favored 'General case' 0 CA--C 1.547 0.832 0 CA-C-O 121.594 0.712 . . . . 25.0 109.34 178.729 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.85 -26.91 67.87 Favored 'General case' 0 C--N 1.321 -0.637 0 O-C-N 121.699 -0.626 . . . . 25.0 111.071 178.402 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -83.14 -9.99 58.89 Favored 'General case' 0 N--CA 1.48 1.066 0 N-CA-C 112.497 0.555 . . . . 25.0 112.497 -179.855 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 9.4 mm-40 -103.29 -48.44 4.01 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 115.311 -0.859 . . . . 25.0 110.33 178.002 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -121.18 66.46 15.82 Favored Pre-proline 0 C--O 1.259 1.602 0 CA-C-O 121.744 0.783 . . . . 25.0 111.009 -178.807 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -68.95 138.58 40.81 Favored 'Trans proline' 0 C--O 1.219 -0.456 0 C-N-CA 116.056 -2.163 . . . . 25.0 111.343 -179.941 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 89.67 -7.73 81.26 Favored Glycine 0 CA--C 1.521 0.42 0 N-CA-C 114.64 0.616 . . . . 25.0 114.64 -179.947 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 19.6 m120 -120.41 82.7 1.94 Allowed 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 118.092 0.946 . . . . 25.0 111.609 -178.331 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 50.5 t80 -51.09 -45.74 61.59 Favored 'General case' 0 N--CA 1.471 0.575 0 N-CA-C 112.742 0.645 . . . . 25.0 112.742 179.538 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -65.18 -43.62 91.07 Favored 'General case' 0 C--N 1.328 -0.35 0 O-C-N 121.874 -0.516 . . . . 25.0 111.996 -176.97 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 88.1 mm-40 -67.88 -33.99 75.8 Favored 'General case' 0 C--O 1.22 -0.5 0 O-C-N 121.482 -0.761 . . . . 25.0 111.329 178.893 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 69.5 mt-30 -58.7 -37.67 76.59 Favored 'General case' 0 C--O 1.22 -0.458 0 CA-C-N 115.767 -0.651 . . . . 25.0 110.739 173.841 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -74.17 -36.73 64.08 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.847 0.832 . . . . 25.0 109.784 -177.304 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 95.5 mt -63.34 -41.39 92.58 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.591 0 CA-C-N 116.157 -0.474 . . . . 25.0 110.007 177.1 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.486 HD23 ' HA ' ' A' ' 23' ' ' ALA . 43.2 tp -60.41 -46.9 88.34 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.997 -0.281 . . . . 25.0 110.305 179.994 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.513 HD11 ' HA ' ' A' ' 20' ' ' GLN . 73.8 mt -59.38 -40.69 82.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 N-CA-C 113.607 0.965 . . . . 25.0 113.607 176.118 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 52.7 ttp180 -55.61 -40.43 72.06 Favored 'General case' 0 C--O 1.217 -0.614 0 CA-C-N 116.173 -0.467 . . . . 25.0 109.969 177.202 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 19.6 mm100 -77.81 -34.84 51.9 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 113.116 0.784 . . . . 25.0 113.116 178.716 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 85.9 mt -64.48 -42.42 95.89 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 120.606 -0.438 . . . . 25.0 110.823 179.725 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 -68.0 -28.68 67.63 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 121.048 -0.261 . . . . 25.0 110.754 -175.268 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -63.11 -43.72 97.66 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.176 -0.466 . . . . 25.0 110.56 175.618 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 44.6 tt0 -75.9 -35.49 59.8 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-O 121.294 0.569 . . . . 25.0 110.452 -177.579 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 64.2 m80 -70.23 -22.3 62.92 Favored 'General case' 0 N--CA 1.486 1.362 0 O-C-N 120.673 -1.267 . . . . 25.0 110.822 178.709 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 48.1 t80 -63.18 -34.84 78.51 Favored 'General case' 0 CA--C 1.514 -0.411 0 O-C-N 121.322 -0.861 . . . . 25.0 109.965 176.671 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -64.97 -42.68 94.35 Favored 'General case' 0 CA--C 1.506 -0.714 0 CA-C-N 115.176 -0.92 . . . . 25.0 110.593 178.655 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 39.2 tt0 -62.05 -41.51 98.21 Favored 'General case' 0 C--O 1.242 0.699 0 CA-C-O 122.322 1.058 . . . . 25.0 110.194 179.377 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 45.7 t80 -65.3 -39.62 92.74 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.617 -0.719 . . . . 25.0 110.024 179.405 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.474 0.725 0 CA-C-N 115.895 -0.593 . . . . 25.0 109.681 177.163 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 38.7 ttmt . . . . . 0 C--O 1.218 -0.59 0 N-CA-C 114.221 1.193 . . . . 25.0 114.221 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 80.7 mt-30 -67.93 -31.84 71.87 Favored 'General case' 0 C--N 1.316 -0.883 0 O-C-N 120.772 -1.205 . . . . 25.0 109.814 -174.151 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 83.2 mt-30 -71.48 -37.19 71.33 Favored 'General case' 0 C--O 1.199 -1.567 0 C-N-CA 120.444 -0.502 . . . . 25.0 111.733 178.545 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 30.3 mt -67.56 -40.69 84.76 Favored 'Isoleucine or valine' 0 C--O 1.262 1.717 0 N-CA-C 108.952 -0.759 . . . . 25.0 108.952 178.078 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.8 mmt -67.36 -36.49 81.49 Favored 'General case' 0 C--N 1.309 -1.162 0 O-C-N 124.183 0.927 . . . . 25.0 111.585 -178.795 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.48 -41.14 84.61 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-O 122.498 1.142 . . . . 25.0 108.847 177.455 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.96 -50.16 51.58 Favored 'General case' 0 N--CA 1.469 0.478 0 O-C-N 121.564 -0.71 . . . . 25.0 111.117 -178.973 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 87.8 mt -62.27 -33.65 75.03 Favored 'General case' 0 C--O 1.202 -1.409 0 CA-C-O 120.707 0.289 . . . . 25.0 110.459 178.18 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 8.2 m120 -69.43 -33.2 72.61 Favored 'General case' 0 N--CA 1.485 1.293 0 O-C-N 120.397 -1.439 . . . . 25.0 108.542 -179.636 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 73.3 m -68.83 -44.04 74.29 Favored 'General case' 0 N--CA 1.491 1.587 0 N-CA-C 108.059 -1.089 . . . . 25.0 108.059 -178.599 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 93.2 mm-40 -70.59 -17.49 62.9 Favored 'General case' 0 C--N 1.315 -0.928 0 N-CA-C 113.938 1.088 . . . . 25.0 113.938 -177.434 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 75.7 p -121.7 -1.67 9.46 Favored 'General case' 0 C--O 1.244 0.78 0 N-CA-C 116.771 2.138 . . . . 25.0 116.771 -175.556 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.72 -63.71 1.06 Allowed 'General case' 0 N--CA 1.491 1.603 0 N-CA-C 115.049 1.499 . . . . 25.0 115.049 -175.259 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.6 p -73.62 -25.07 20.46 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.027 0 O-C-N 121.229 -0.919 . . . . 25.0 110.162 -177.937 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 15.3 tt0 -67.57 -40.01 84.91 Favored 'General case' 0 C--N 1.313 -0.994 0 O-C-N 120.322 -1.486 . . . . 25.0 109.354 -177.197 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 17.8 m-30 -84.64 -20.32 31.52 Favored 'General case' 0 C--N 1.309 -1.19 0 CA-C-N 116.022 -0.535 . . . . 25.0 110.303 -179.021 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.522 ' HA ' HD11 ' A' ' 38' ' ' ILE . 28.6 tt0 -66.24 -41.42 90.04 Favored 'General case' 0 C--N 1.29 -1.988 0 N-CA-C 109.013 -0.736 . . . . 25.0 109.013 179.85 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 54.3 mt-30 -63.68 -37.49 87.53 Favored 'General case' 0 C--O 1.207 -1.151 0 N-CA-C 108.05 -1.093 . . . . 25.0 108.05 -177.33 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 79.9 t80 -68.56 -43.02 77.5 Favored 'General case' 0 CA--C 1.517 -0.294 0 N-CA-C 112.512 0.56 . . . . 25.0 112.512 176.773 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.52 -36.7 85.06 Favored 'General case' 0 C--O 1.248 1.017 0 N-CA-C 108.917 -0.772 . . . . 25.0 108.917 -179.653 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.35 -23.64 65.63 Favored 'General case' 0 C--N 1.319 -0.744 0 C-N-CA 118.732 -1.187 . . . . 25.0 112.813 176.471 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 19.6 tt0 -82.14 -27.12 32.94 Favored 'General case' 0 CA--C 1.557 1.221 0 N-CA-C 108.399 -0.963 . . . . 25.0 108.399 -178.555 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 74.0 mm-40 -84.99 -50.14 7.72 Favored 'General case' 0 N--CA 1.499 2.023 0 N-CA-C 113.618 0.97 . . . . 25.0 113.618 178.893 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 25.5 m-85 -119.45 69.47 11.45 Favored Pre-proline 0 N--CA 1.477 0.89 0 N-CA-C 107.676 -1.231 . . . . 25.0 107.676 -179.961 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -69.37 140.16 43.42 Favored 'Trans proline' 0 C--O 1.209 -0.927 0 C-N-CA 116.905 -1.597 . . . . 25.0 110.62 -171.026 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 81.1 -25.11 3.7 Favored Glycine 0 N--CA 1.44 -1.058 0 CA-C-O 117.136 -1.925 . . . . 25.0 116.863 -174.796 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -96.57 83.89 3.57 Favored 'General case' 0 C--O 1.24 0.555 0 CA-C-N 120.527 2.164 . . . . 25.0 112.381 -172.98 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 21.4 t80 -54.01 -49.53 68.68 Favored 'General case' 0 CA--C 1.549 0.928 0 CA-C-O 118.694 -0.669 . . . . 25.0 110.556 -175.148 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 26.4 pt-20 -56.52 -45.6 81.0 Favored 'General case' 0 CA--C 1.552 1.034 0 CA-C-N 120.125 1.33 . . . . 25.0 111.192 -178.845 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 97.3 mm-40 -68.05 -36.79 80.46 Favored 'General case' 0 C--O 1.24 0.582 0 N-CA-C 114.557 1.318 . . . . 25.0 114.557 177.404 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 70.1 mt-30 -57.13 -38.39 73.38 Favored 'General case' 0 C--O 1.26 1.615 0 O-C-N 124.659 1.225 . . . . 25.0 110.068 175.635 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 91.3 mm-40 -69.87 -41.24 75.09 Favored 'General case' 0 N--CA 1.447 -0.598 0 C-N-CA 119.998 -0.681 . . . . 25.0 109.893 -175.806 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 70.6 mt -61.02 -42.72 94.15 Favored 'Isoleucine or valine' 0 CA--C 1.576 1.981 0 CA-C-O 122.055 0.931 . . . . 25.0 109.904 -177.777 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 42.5 tp -62.09 -49.43 75.98 Favored 'General case' 0 N--CA 1.428 -1.528 0 CA-C-O 122.185 0.993 . . . . 25.0 113.061 179.1 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.522 HD11 ' HA ' ' A' ' 20' ' ' GLN . 33.0 mt -55.09 -42.63 65.98 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 114.538 -1.21 . . . . 25.0 108.945 177.722 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 73.8 mtp180 -64.35 -37.95 89.3 Favored 'General case' 0 N--CA 1.474 0.73 0 O-C-N 121.55 -0.719 . . . . 25.0 110.033 -178.858 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -62.82 -47.61 82.66 Favored 'General case' 0 C--N 1.297 -1.684 0 O-C-N 123.171 0.294 . . . . 25.0 111.714 176.071 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 35.3 mt -62.36 -27.3 68.97 Favored 'General case' 0 CA--C 1.549 0.926 0 N-CA-C 114.58 1.326 . . . . 25.0 114.58 179.294 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 92.1 mt-30 -73.3 -36.97 66.35 Favored 'General case' 0 CA--C 1.568 1.652 0 CA-C-N 115.233 -0.894 . . . . 25.0 111.351 177.65 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -62.96 -37.87 88.84 Favored 'General case' 0 N--CA 1.492 1.631 0 CA-C-N 116.172 -0.467 . . . . 25.0 111.666 172.924 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -65.27 -44.83 86.79 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-O 122.045 0.926 . . . . 25.0 110.738 174.089 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 78.0 t60 -59.67 -29.37 68.01 Favored 'General case' 0 N--CA 1.434 -1.234 0 N-CA-C 113.239 0.829 . . . . 25.0 113.239 175.889 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 62.6 t80 -63.24 -35.22 79.6 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 120.023 -1.673 . . . . 25.0 109.609 179.341 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 69.1 mt-30 -64.91 -40.06 94.49 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 114.904 -1.044 . . . . 25.0 110.382 176.136 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 8.2 mp0 -70.45 -34.99 73.07 Favored 'General case' 0 N--CA 1.447 -0.576 0 C-N-CA 118.029 -1.469 . . . . 25.0 109.538 179.934 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 17.8 t80 -60.03 -40.24 88.66 Favored 'General case' 0 C--O 1.211 -0.958 0 N-CA-C 113.426 0.899 . . . . 25.0 113.426 175.216 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 37.9 mmt . . . . . 0 CA--C 1.508 -0.667 0 O-C-N 120.751 -1.218 . . . . 25.0 111.76 174.775 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 18.1 ptmt . . . . . 0 CA--C 1.512 -0.509 0 N-CA-C 118.001 2.593 . . . . 25.0 118.001 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 -62.01 -25.85 67.88 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 114.024 1.12 . . . . 25.0 114.024 179.919 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 90.6 mt-30 -66.36 -40.27 89.66 Favored 'General case' 0 C--O 1.205 -1.237 0 O-C-N 121.05 -1.031 . . . . 25.0 109.091 178.311 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 77.4 mt -64.82 -47.6 87.81 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.817 0 N-CA-C 107.016 -1.476 . . . . 25.0 107.016 -178.406 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 78.6 mtp -59.15 -46.78 87.49 Favored 'General case' 0 N--CA 1.427 -1.576 0 C-N-CA 120.186 -0.605 . . . . 25.0 111.092 -179.909 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.59 -37.75 82.39 Favored 'General case' 0 CA--C 1.555 1.146 0 N-CA-C 113.929 1.085 . . . . 25.0 113.929 -178.388 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.25 -44.88 82.46 Favored 'General case' 0 CA--C 1.497 -1.096 0 CA-C-N 116.391 -0.368 . . . . 25.0 110.299 176.897 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 98.0 mt -67.78 -41.35 83.39 Favored 'General case' 0 C--N 1.308 -1.207 0 O-C-N 124.343 1.027 . . . . 25.0 110.354 -177.946 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 96.0 m-20 -69.19 -27.76 65.78 Favored 'General case' 0 C--O 1.248 0.982 0 CA-C-N 115.857 -0.61 . . . . 25.0 110.999 -176.122 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.44 -22.86 65.49 Favored 'General case' 0 N--CA 1.483 1.213 0 N-CA-C 111.757 0.281 . . . . 25.0 111.757 -178.264 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 58.6 mm-40 -75.62 -19.86 58.92 Favored 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 112.888 0.699 . . . . 25.0 112.888 175.464 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 38.0 p -125.95 11.33 7.71 Favored 'General case' 0 N--CA 1.432 -1.343 0 CA-C-O 121.618 0.723 . . . . 25.0 112.582 -171.701 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.08 -65.06 0.62 Allowed 'General case' 0 C--O 1.248 0.992 0 C-N-CA 123.532 0.733 . . . . 25.0 111.882 -176.337 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.0 p -73.98 -25.88 20.64 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.855 0 CA-C-O 122.072 0.939 . . . . 25.0 111.796 -178.464 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 43.2 tt0 -62.81 -42.56 99.77 Favored 'General case' 0 C--O 1.216 -0.685 0 CA-C-O 121.971 0.891 . . . . 25.0 111.505 -179.903 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 18.8 m-30 -77.63 -25.84 50.05 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-O 117.532 -1.223 . . . . 25.0 111.043 177.095 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 55.5 tt0 -67.84 -45.06 75.69 Favored 'General case' 0 C--O 1.243 0.726 0 CA-C-O 121.799 0.809 . . . . 25.0 109.257 179.67 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 19.2 mm100 -64.19 -40.85 96.95 Favored 'General case' 0 N--CA 1.441 -0.904 0 CA-C-O 122.637 1.208 . . . . 25.0 110.297 178.01 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 87.1 t80 -64.44 -41.96 96.26 Favored 'General case' 0 N--CA 1.468 0.454 0 O-C-N 120.822 -1.174 . . . . 25.0 112.051 177.459 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.15 -41.37 88.14 Favored 'General case' 0 N--CA 1.434 -1.235 0 CA-C-O 119.48 -0.295 . . . . 25.0 110.872 -177.511 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.16 -26.11 65.6 Favored 'General case' 0 C--N 1.319 -0.749 0 O-C-N 125.726 1.891 . . . . 25.0 111.386 -177.737 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -75.4 -25.03 57.28 Favored 'General case' 0 CA--C 1.552 1.042 0 C-N-CA 123.517 0.727 . . . . 25.0 110.514 -179.427 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 83.2 mm-40 -95.66 -43.77 7.76 Favored 'General case' 0 CA--C 1.554 1.105 0 N-CA-C 114.221 1.193 . . . . 25.0 114.221 179.136 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -125.89 68.69 63.64 Favored Pre-proline 0 N--CA 1.47 0.54 0 CA-C-O 122.413 1.102 . . . . 25.0 111.211 -179.574 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 70.7 Cg_endo -72.07 143.54 40.54 Favored 'Trans proline' 0 CA--C 1.534 0.487 0 C-N-CA 116.567 -1.822 . . . . 25.0 112.743 -175.067 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.19 -3.43 58.16 Favored Glycine 0 C--O 1.267 2.215 0 C-N-CA 119.722 -1.227 . . . . 25.0 113.879 -176.749 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -117.35 85.12 2.27 Favored 'General case' 0 C--O 1.196 -1.753 0 CA-C-O 122.004 0.906 . . . . 25.0 111.398 176.323 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 26.4 t80 -54.94 -44.41 74.27 Favored 'General case' 0 C--O 1.21 -0.983 0 N-CA-C 113.301 0.852 . . . . 25.0 113.301 177.797 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -62.76 -42.55 99.73 Favored 'General case' 0 N--CA 1.48 1.053 0 N-CA-C 113.926 1.084 . . . . 25.0 113.926 -178.906 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 97.9 mm-40 -67.61 -34.58 77.29 Favored 'General case' 0 C--O 1.251 1.142 0 O-C-N 121.33 -0.856 . . . . 25.0 111.21 176.115 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 69.5 mt-30 -62.97 -35.91 81.73 Favored 'General case' 0 C--N 1.308 -1.222 0 CA-C-O 122.251 1.024 . . . . 25.0 110.924 178.042 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 40.5 mm-40 -70.24 -42.74 71.81 Favored 'General case' 0 C--O 1.2 -1.501 0 N-CA-C 107.675 -1.231 . . . . 25.0 107.675 179.582 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 68.6 mt -59.83 -39.94 81.32 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.518 0 CA-C-O 122.864 1.316 . . . . 25.0 109.888 -177.315 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 26.4 tp -64.59 -53.3 49.85 Favored 'General case' 0 C--O 1.206 -1.222 0 CA-C-N 114.818 -1.083 . . . . 25.0 112.086 -178.583 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 61.8 mt -53.68 -42.25 50.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 C-N-CA 123.522 0.729 . . . . 25.0 110.669 176.623 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 22.2 ttm180 -54.68 -45.61 73.94 Favored 'General case' 0 C--O 1.249 1.078 0 CA-C-N 118.116 0.417 . . . . 25.0 110.29 177.512 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 58.5 mt-30 -65.65 -40.7 92.74 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 113.804 1.038 . . . . 25.0 113.804 178.016 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 44.7 mt -65.82 -40.23 91.63 Favored 'General case' 0 CA--C 1.56 1.352 0 C-N-CA 119.308 -0.957 . . . . 25.0 109.212 -179.888 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 -61.31 -33.24 73.27 Favored 'General case' 0 C--N 1.309 -1.193 0 CA-C-N 116.122 -0.49 . . . . 25.0 112.03 175.764 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.424 ' HG2' HE21 ' A' ' 47' ' ' GLN . 31.9 tt0 -67.53 -42.7 82.31 Favored 'General case' 0 C--N 1.316 -0.878 0 O-C-N 121.351 -0.843 . . . . 25.0 112.641 177.339 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -61.21 -49.39 77.35 Favored 'General case' 0 C--N 1.353 0.732 0 CA-C-O 121.339 0.59 . . . . 25.0 109.815 177.406 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 11.7 t60 -63.81 -38.98 93.1 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-O 118.833 -0.603 . . . . 25.0 110.937 -178.485 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 38.1 t80 -63.6 -41.8 98.3 Favored 'General case' 0 CA--C 1.505 -0.766 0 N-CA-C 113.889 1.07 . . . . 25.0 113.889 176.133 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.424 HE21 ' HG2' ' A' ' 43' ' ' GLU . 59.6 mt-30 -64.13 -34.86 79.02 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 120.229 -0.589 . . . . 25.0 111.879 177.579 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.9 tp-100 -61.14 -41.58 96.99 Favored 'General case' 0 C--N 1.314 -0.968 0 C-N-CA 120.132 -0.627 . . . . 25.0 110.39 178.308 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 28.7 t80 -72.12 -38.44 69.28 Favored 'General case' 0 C--N 1.344 0.35 0 CA-C-O 122.089 0.947 . . . . 25.0 110.408 -178.093 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 30.3 mmt . . . . . 0 C--O 1.197 -1.666 0 CA-C-N 115.437 -0.801 . . . . 25.0 110.683 174.539 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt . . . . . 0 C--O 1.241 0.611 0 N-CA-C 113.645 0.98 . . . . 25.0 113.645 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 68.5 mt-30 -65.57 -30.43 71.16 Favored 'General case' 0 C--N 1.306 -1.312 0 CA-C-N 114.297 -1.32 . . . . 25.0 112.433 176.601 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 9.6 mm-40 -58.49 -39.0 78.79 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.28 -0.418 . . . . 25.0 111.965 171.997 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 56.6 mt -71.74 -40.86 70.39 Favored 'Isoleucine or valine' 0 C--N 1.351 0.664 0 N-CA-C 104.028 -2.582 . . . . 25.0 104.028 -173.611 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 61.5 mtp -64.32 -37.07 86.18 Favored 'General case' 0 CA--C 1.507 -0.689 0 N-CA-C 109.723 -0.473 . . . . 25.0 109.723 -177.107 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.15 -33.98 77.3 Favored 'General case' 0 CA--C 1.543 0.702 0 O-C-N 125.548 1.78 . . . . 25.0 110.388 177.301 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.91 -46.28 68.72 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.548 -0.751 . . . . 25.0 110.745 177.423 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 95.0 mt -63.19 -38.27 90.53 Favored 'General case' 0 C--O 1.207 -1.145 0 C-N-CA 123.745 0.818 . . . . 25.0 109.237 178.103 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -60.57 -38.3 84.12 Favored 'General case' 0 C--N 1.313 -1.018 0 CA-C-O 118.969 -0.539 . . . . 25.0 111.139 -179.951 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 14.7 t -63.46 -37.6 87.92 Favored 'General case' 0 C--O 1.205 -1.249 0 N-CA-C 112.924 0.713 . . . . 25.0 112.924 176.45 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -69.86 -31.36 69.15 Favored 'General case' 0 C--O 1.205 -1.241 0 N-CA-C 115.334 1.605 . . . . 25.0 115.334 179.204 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 72.7 p -114.8 3.9 14.79 Favored 'General case' 0 C--O 1.2 -1.524 0 N-CA-C 113.936 1.087 . . . . 25.0 113.936 -171.045 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -48.54 -64.18 0.87 Allowed 'General case' 0 CA--C 1.547 0.845 0 O-C-N 121.138 -0.976 . . . . 25.0 113.465 -173.62 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 11.3 p -76.23 -29.08 18.89 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.081 0 O-C-N 121.914 -0.491 . . . . 25.0 111.732 -179.072 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 55.9 tt0 -62.58 -45.12 94.34 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 108.106 -1.072 . . . . 25.0 108.106 -178.34 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 14.1 m-30 -75.91 -25.47 56.05 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-O 118.963 -0.541 . . . . 25.0 112.391 176.143 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -64.8 -44.19 90.72 Favored 'General case' 0 CA--C 1.569 1.692 0 C-N-CA 120.386 -0.525 . . . . 25.0 110.567 177.096 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -63.43 -40.87 98.33 Favored 'General case' 0 C--O 1.245 0.848 0 N-CA-C 113.636 0.976 . . . . 25.0 113.636 176.45 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 89.2 t80 -65.89 -41.11 91.95 Favored 'General case' 0 N--CA 1.439 -1.001 0 N-CA-C 113.161 0.8 . . . . 25.0 113.161 173.827 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -68.06 -35.59 78.47 Favored 'General case' 0 CA--C 1.559 1.312 0 CA-C-O 121.773 0.797 . . . . 25.0 111.016 -178.602 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.71 -27.14 65.68 Favored 'General case' 0 N--CA 1.476 0.872 0 O-C-N 120.786 -1.196 . . . . 25.0 113.244 173.511 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -72.76 -20.68 61.14 Favored 'General case' 0 C--O 1.244 0.794 0 N-CA-C 113.261 0.838 . . . . 25.0 113.261 175.222 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 83.1 mm-40 -99.85 -40.6 7.62 Favored 'General case' 0 N--CA 1.496 1.865 0 CA-C-O 122.773 1.273 . . . . 25.0 114.112 -177.238 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 22.8 m-85 -126.44 67.24 64.89 Favored Pre-proline 0 N--CA 1.496 1.83 0 CA-C-N 114.9 -1.046 . . . . 25.0 112.335 -179.452 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -69.0 138.43 40.2 Favored 'Trans proline' 0 CA--C 1.548 1.187 0 C-N-CA 118.591 -0.473 . . . . 25.0 113.319 -174.571 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.44 3.73 83.16 Favored Glycine 0 CA--C 1.537 1.452 0 O-C-N 120.249 -1.532 . . . . 25.0 113.238 -179.923 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -121.42 86.81 2.64 Favored 'General case' 0 N--CA 1.474 0.772 0 O-C-N 120.403 -1.645 . . . . 25.0 111.125 -179.808 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 47.0 t80 -58.74 -47.06 85.92 Favored 'General case' 0 N--CA 1.515 2.782 0 N-CA-C 113.146 0.795 . . . . 25.0 113.146 178.333 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -62.63 -38.37 89.97 Favored 'General case' 0 C--O 1.192 -1.938 0 O-C-N 121.052 -1.03 . . . . 25.0 111.967 179.766 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 97.3 mm-40 -71.55 -35.27 70.56 Favored 'General case' 0 CA--C 1.495 -1.138 0 O-C-N 120.338 -1.476 . . . . 25.0 113.397 -179.933 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 71.3 mt-30 -59.31 -40.49 86.37 Favored 'General case' 0 C--O 1.252 1.186 0 CA-C-N 114.533 -1.212 . . . . 25.0 111.195 175.687 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 63.8 mm-40 -65.7 -43.15 90.06 Favored 'General case' 0 CA--C 1.546 0.8 0 CA-C-O 121.311 0.577 . . . . 25.0 109.562 -177.936 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 93.3 mt -60.1 -45.74 95.31 Favored 'Isoleucine or valine' 0 C--O 1.248 1.019 0 N-CA-C 107.652 -1.24 . . . . 25.0 107.652 -178.916 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 34.8 tp -60.42 -47.24 86.95 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-O 118.386 -0.816 . . . . 25.0 111.897 178.598 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 61.7 mt -57.53 -40.48 75.11 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 CA-C-N 119.484 1.038 . . . . 25.0 110.274 179.887 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.2 -36.21 74.96 Favored 'General case' 0 N--CA 1.475 0.778 0 O-C-N 123.594 0.559 . . . . 25.0 110.842 178.834 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -74.26 -44.3 53.49 Favored 'General case' 0 CA--C 1.501 -0.923 0 C-N-CA 120.179 -0.608 . . . . 25.0 111.136 177.883 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 97.6 mt -60.99 -38.3 85.53 Favored 'General case' 0 N--CA 1.438 -1.052 0 C-N-CA 120.269 -0.573 . . . . 25.0 110.952 -173.978 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 34.9 mm-40 -64.14 -40.15 95.54 Favored 'General case' 0 C--O 1.222 -0.352 0 O-C-N 120.629 -1.294 . . . . 25.0 109.607 -179.612 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -77.38 -29.88 53.42 Favored 'General case' 0 N--CA 1.485 1.295 0 O-C-N 120.634 -1.291 . . . . 25.0 110.036 -176.88 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 77.4 mm-40 -68.15 -44.16 76.65 Favored 'General case' 0 N--CA 1.492 1.629 0 N-CA-C 108.047 -1.094 . . . . 25.0 108.047 179.3 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 25.7 t60 -64.1 -40.26 95.84 Favored 'General case' 0 C--O 1.249 1.037 0 CA-C-O 120.906 0.384 . . . . 25.0 110.934 173.954 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 69.8 t80 -60.83 -34.27 74.31 Favored 'General case' 0 C--O 1.241 0.642 0 N-CA-C 113.272 0.841 . . . . 25.0 113.272 -176.658 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -67.64 -43.94 79.12 Favored 'General case' 0 N--CA 1.501 2.098 0 C-N-CA 119.738 -0.785 . . . . 25.0 109.637 -179.2 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 49.6 tt0 -66.12 -37.09 84.87 Favored 'General case' 0 C--O 1.213 -0.827 0 CA-C-N 116.357 -0.383 . . . . 25.0 110.071 178.188 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 41.5 t80 -61.47 -48.32 81.67 Favored 'General case' 0 C--O 1.203 -1.369 0 C-N-CA 123.39 0.676 . . . . 25.0 109.841 175.877 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.206 -1.192 0 CA-C-N 118.72 0.691 . . . . 25.0 111.742 177.605 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 62.7 mttp . . . . . 0 C--O 1.2 -1.531 0 N-CA-C 114.022 1.119 . . . . 25.0 114.022 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 28.2 tt0 -66.12 -28.98 69.21 Favored 'General case' 0 N--CA 1.439 -0.98 0 CA-C-O 119.248 -0.406 . . . . 25.0 111.325 -172.737 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 19.0 mm100 -61.2 -36.85 81.0 Favored 'General case' 0 C--O 1.211 -0.965 0 CA-C-O 118.72 -0.657 . . . . 25.0 112.209 175.077 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 35.4 mt -69.63 -46.02 76.38 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.9 0 C-N-CA 123.26 0.624 . . . . 25.0 109.91 176.32 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 73.6 mtp -65.88 -31.43 72.37 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.06 -0.973 . . . . 25.0 111.61 -177.29 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.87 -38.39 88.69 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.066 -0.716 . . . . 25.0 109.066 175.654 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.86 -44.67 72.87 Favored 'General case' 0 CA--C 1.532 0.256 0 O-C-N 121.109 -0.994 . . . . 25.0 108.51 -178.647 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 80.0 mt -63.21 -36.91 85.2 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-O 118.444 -0.789 . . . . 25.0 110.069 179.024 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -54.09 -40.18 67.01 Favored 'General case' 0 C--N 1.312 -1.045 0 CA-C-O 121.941 0.877 . . . . 25.0 111.416 172.878 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 14.8 m -75.14 -44.88 44.49 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 119.021 -1.072 . . . . 25.0 108.771 -176.566 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -67.25 -37.83 84.15 Favored 'General case' 0 C--O 1.196 -1.741 0 N-CA-C 112.927 0.714 . . . . 25.0 112.927 -173.941 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 75.3 p -106.0 11.65 31.36 Favored 'General case' 0 CA--C 1.502 -0.884 0 N-CA-C 116.225 1.935 . . . . 25.0 116.225 -175.337 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -49.84 -70.51 0.09 Allowed 'General case' 0 CA--C 1.552 1.031 0 N-CA-C 114.316 1.228 . . . . 25.0 114.316 178.601 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 4.5 p -71.58 -26.92 27.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-O 123.31 1.529 . . . . 25.0 110.442 -174.861 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 40.8 tt0 -62.23 -48.97 77.6 Favored 'General case' 0 CA--C 1.557 1.239 0 CA-C-N 113.888 -1.505 . . . . 25.0 107.072 -176.149 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 12.0 m-30 -81.75 -22.71 37.1 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 120.687 -1.258 . . . . 25.0 112.022 -179.239 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -61.76 -27.83 69.01 Favored 'General case' 0 CA--C 1.569 1.689 0 CA-C-O 122.021 0.915 . . . . 25.0 113.435 -177.903 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -58.91 -41.61 87.67 Favored 'General case' 0 C--O 1.259 1.561 0 O-C-N 120.187 -1.57 . . . . 25.0 112.162 177.072 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 72.0 t80 -74.68 -35.17 62.78 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 123.775 0.83 . . . . 25.0 112.994 173.665 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.02 -40.87 97.3 Favored 'General case' 0 C--O 1.213 -0.829 0 C-N-CA 120.774 -0.37 . . . . 25.0 110.024 -179.342 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -73.25 -25.03 60.55 Favored 'General case' 0 N--CA 1.48 1.064 0 O-C-N 124.315 1.009 . . . . 25.0 111.693 -179.66 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 66.4 tt0 -71.05 -25.94 62.87 Favored 'General case' 0 CA--C 1.564 1.518 0 O-C-N 123.744 0.652 . . . . 25.0 110.044 175.232 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 11.5 mm100 -96.46 -46.58 6.31 Favored 'General case' 0 C--N 1.313 -0.995 0 O-C-N 124.1 0.875 . . . . 25.0 112.9 -178.956 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 30.3 m-85 -120.64 70.94 18.33 Favored Pre-proline 0 CA--C 1.562 1.409 0 CA-C-O 121.392 0.615 . . . . 25.0 112.049 179.611 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -67.54 137.29 42.25 Favored 'Trans proline' 0 C--O 1.199 -1.462 0 O-C-N 119.222 -0.988 . . . . 25.0 114.375 -177.662 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 76.86 -13.73 8.38 Favored Glycine 0 CA--C 1.565 3.208 0 N-CA-C 115.94 1.136 . . . . 25.0 115.94 -176.032 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 11.8 m120 -99.53 84.83 3.03 Favored 'General case' 0 C--N 1.309 -1.19 0 O-C-N 120.644 -1.504 . . . . 25.0 109.661 -177.552 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 55.3 t80 -51.88 -48.77 63.93 Favored 'General case' 0 N--CA 1.489 1.476 0 N-CA-C 114.084 1.142 . . . . 25.0 114.084 174.297 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -61.26 -40.94 95.96 Favored 'General case' 0 C--O 1.204 -1.309 0 C-N-CA 118.408 -1.317 . . . . 25.0 112.774 -177.831 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 -69.43 -35.89 76.12 Favored 'General case' 0 C--N 1.318 -0.761 0 O-C-N 121.66 -0.65 . . . . 25.0 110.933 -178.893 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 67.8 mt-30 -60.15 -36.56 77.8 Favored 'General case' 0 CA--C 1.504 -0.815 0 CA-C-N 115.462 -0.79 . . . . 25.0 109.824 174.717 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 85.8 mm-40 -70.3 -40.3 74.34 Favored 'General case' 0 N--CA 1.487 1.399 0 N-CA-C 108.421 -0.955 . . . . 25.0 108.421 -177.306 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 84.4 mt -60.69 -42.37 91.73 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.709 0 C-N-CA 123.664 0.786 . . . . 25.0 109.044 -178.32 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 13.2 tp -67.7 -48.94 65.12 Favored 'General case' 0 C--O 1.21 -1.02 0 CA-C-N 115.29 -0.868 . . . . 25.0 110.543 -177.345 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 67.5 mt -53.76 -47.97 61.87 Favored 'Isoleucine or valine' 0 C--O 1.248 1.009 0 C-N-CA 123.484 0.713 . . . . 25.0 110.61 175.563 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 8.0 tmm_? -58.05 -40.67 81.52 Favored 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 119.836 -0.745 . . . . 25.0 110.618 175.9 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 38.5 tt0 -61.37 -46.44 90.17 Favored 'General case' 0 C--O 1.225 -0.227 0 O-C-N 119.562 -1.961 . . . . 25.0 112.901 176.127 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 47.4 mt -59.27 -42.51 91.37 Favored 'General case' 0 C--N 1.3 -1.549 0 N-CA-C 113.481 0.919 . . . . 25.0 113.481 178.721 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -65.4 -35.77 81.96 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.507 -0.77 . . . . 25.0 112.529 175.733 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 87.9 mt-10 -72.36 -33.93 67.62 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 118.813 -1.155 . . . . 25.0 109.802 -178.243 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 4.2 tp60 -66.7 -38.03 85.93 Favored 'General case' 0 CA--C 1.544 0.746 0 CA-C-O 121.824 0.821 . . . . 25.0 109.813 175.186 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 46.0 t-80 -67.86 -39.73 83.73 Favored 'General case' 0 C--O 1.21 -1.015 0 CA-C-O 122.154 0.978 . . . . 25.0 111.804 179.919 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 23.4 t80 -57.2 -31.21 65.22 Favored 'General case' 0 C--N 1.353 0.759 0 O-C-N 121.657 -0.652 . . . . 25.0 110.074 179.032 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -63.41 -44.88 93.39 Favored 'General case' 0 C--O 1.258 1.519 0 O-C-N 121.503 -0.748 . . . . 25.0 110.599 176.729 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -69.45 -32.0 70.66 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 109.131 -0.692 . . . . 25.0 109.131 178.912 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 24.8 t80 -64.69 -37.9 89.15 Favored 'General case' 0 C--O 1.256 1.43 0 CA-C-O 121.394 0.616 . . . . 25.0 111.39 176.114 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.492 -1.26 0 CA-C-N 114.719 -1.128 . . . . 25.0 112.688 175.927 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.446 -0.631 0 N-CA-C 113.883 1.068 . . . . 25.0 113.883 . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -68.39 -27.32 66.11 Favored 'General case' 0 CA--C 1.505 -0.787 0 O-C-N 121.307 -0.871 . . . . 25.0 111.454 -177.952 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 -62.12 -40.35 95.61 Favored 'General case' 0 CA--C 1.559 1.314 0 N-CA-C 109.614 -0.513 . . . . 25.0 109.614 176.024 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 46.0 mt -73.87 -35.37 42.62 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.298 0 CA-C-N 115.863 -0.608 . . . . 25.0 110.379 -179.814 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 83.0 mtp -65.97 -35.35 80.34 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 119.897 -0.721 . . . . 25.0 111.673 176.98 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.26 -35.21 80.33 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 109.446 -0.576 . . . . 25.0 109.446 179.195 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.26 -49.31 64.83 Favored 'General case' 0 C--O 1.246 0.884 0 C-N-CA 120.631 -0.427 . . . . 25.0 110.146 177.086 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 94.8 mt -61.3 -30.27 70.38 Favored 'General case' 0 N--CA 1.481 1.107 0 N-CA-C 112.554 0.576 . . . . 25.0 112.554 178.693 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -64.0 -38.02 89.56 Favored 'General case' 0 CA--C 1.5 -0.951 0 N-CA-C 108.605 -0.887 . . . . 25.0 108.605 -177.677 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 15.4 t -69.08 -35.67 76.75 Favored 'General case' 0 C--O 1.223 -0.33 0 N-CA-C 111.905 0.335 . . . . 25.0 111.905 -177.661 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -72.13 -39.45 68.82 Favored 'General case' 0 C--O 1.217 -0.627 0 N-CA-C 113.363 0.875 . . . . 25.0 113.363 -178.484 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 76.5 p -109.24 11.33 25.46 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 115.527 1.677 . . . . 25.0 115.527 -170.802 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.47 -64.75 0.81 Allowed 'General case' 0 N--CA 1.478 0.972 0 O-C-N 121.52 -0.737 . . . . 25.0 111.42 -174.686 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 5.4 p -70.6 -24.32 25.16 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.831 0 O-C-N 121.579 -0.7 . . . . 25.0 110.07 -178.755 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 -64.15 -45.71 87.3 Favored 'General case' 0 C--N 1.317 -0.823 0 C-N-CA 122.876 0.47 . . . . 25.0 111.766 177.672 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 21.5 m-30 -83.84 -24.47 30.92 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 112.48 0.548 . . . . 25.0 112.48 177.553 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 46.4 tt0 -61.03 -42.57 98.72 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-O 121.329 0.585 . . . . 25.0 112.509 178.04 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 25.7 mm100 -70.69 -32.19 69.33 Favored 'General case' 0 N--CA 1.432 -1.367 0 O-C-N 121.586 -0.696 . . . . 25.0 112.599 179.045 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 37.3 t80 -71.93 -36.5 69.95 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 109.107 -0.701 . . . . 25.0 109.107 174.861 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.98 -34.15 77.76 Favored 'General case' 0 CA--C 1.497 -1.061 0 N-CA-C 108.582 -0.895 . . . . 25.0 108.582 -179.89 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.57 -26.75 68.0 Favored 'General case' 0 CA--C 1.544 0.744 0 CA-C-N 118.143 0.429 . . . . 25.0 112.07 -179.094 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -80.84 -14.39 58.08 Favored 'General case' 0 C--N 1.308 -1.209 0 N-CA-C 113.847 1.054 . . . . 25.0 113.847 178.782 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 50.7 mm-40 -103.56 -38.4 7.15 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-O 121.289 0.566 . . . . 25.0 110.542 -179.029 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 37.4 m-85 -129.08 70.54 81.69 Favored Pre-proline 0 C--O 1.247 0.949 0 CA-C-N 115.667 -0.697 . . . . 25.0 111.43 177.572 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -67.84 144.85 66.57 Favored 'Trans proline' 0 C--O 1.2 -1.386 0 C-N-CA 114.648 -3.101 . . . . 25.0 112.369 -176.641 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 82.06 -29.22 3.13 Favored Glycine 0 C--O 1.219 -0.79 0 N-CA-C 114.779 0.672 . . . . 25.0 114.779 -179.474 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -97.35 84.67 3.5 Favored 'General case' 0 CA--C 1.494 -1.192 0 O-C-N 122.074 -0.663 . . . . 25.0 111.887 -171.535 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 47.4 t80 -53.94 -44.29 70.54 Favored 'General case' 0 C--N 1.317 -0.844 0 O-C-N 124.343 1.027 . . . . 25.0 112.105 179.243 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -60.73 -43.31 98.04 Favored 'General case' 0 C--O 1.213 -0.858 0 C-N-CA 120.019 -0.672 . . . . 25.0 111.07 -179.61 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 30.6 mm100 -71.47 -36.57 71.22 Favored 'General case' 0 CA--C 1.507 -0.699 0 CA-C-O 122.183 0.992 . . . . 25.0 112.307 -179.399 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 60.1 mt-30 -56.99 -37.54 71.79 Favored 'General case' 0 N--CA 1.477 0.925 0 CA-C-O 122.099 0.952 . . . . 25.0 110.852 174.367 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 93.7 mm-40 -75.62 -37.36 59.81 Favored 'General case' 0 C--N 1.321 -0.671 0 O-C-N 121.617 -0.677 . . . . 25.0 112.552 -176.263 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 79.7 mt -60.13 -40.86 84.65 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.726 0 N-CA-C 107.404 -1.332 . . . . 25.0 107.404 175.752 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 18.2 tp -66.3 -46.88 75.42 Favored 'General case' 0 C--O 1.219 -0.523 0 CA-C-O 121.307 0.575 . . . . 25.0 112.438 -179.941 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 48.8 mt -58.47 -38.35 69.66 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 N-CA-C 108.499 -0.926 . . . . 25.0 108.499 179.148 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 5.7 tpt180 -55.2 -47.95 74.55 Favored 'General case' 0 C--O 1.244 0.793 0 CA-C-N 119.577 1.081 . . . . 25.0 110.274 177.271 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 49.7 tt0 -65.64 -43.42 89.5 Favored 'General case' 0 N--CA 1.476 0.825 0 CA-C-O 118.777 -0.63 . . . . 25.0 111.64 -179.768 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 56.5 mt -59.51 -41.59 90.27 Favored 'General case' 0 N--CA 1.48 1.041 0 N-CA-C 108.682 -0.859 . . . . 25.0 108.682 -176.251 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -69.46 -31.46 69.77 Favored 'General case' 0 C--O 1.254 1.319 0 O-C-N 121.841 -0.537 . . . . 25.0 110.556 -178.66 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -68.18 -39.26 82.57 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.314 -0.403 . . . . 25.0 110.589 178.734 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -73.89 -38.56 64.34 Favored 'General case' 0 CA--C 1.546 0.827 0 CA-C-N 116.043 -0.526 . . . . 25.0 112.085 177.511 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 41.9 t-80 -62.05 -31.68 72.12 Favored 'General case' 0 CA--C 1.554 1.101 0 N-CA-C 109.026 -0.731 . . . . 25.0 109.026 176.09 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 63.5 t80 -61.86 -35.96 79.84 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-N 118.089 0.404 . . . . 25.0 110.635 176.96 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 81.5 mt-30 -73.02 -37.51 66.89 Favored 'General case' 0 N--CA 1.48 1.061 0 O-C-N 121.568 -0.707 . . . . 25.0 111.083 -179.295 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -66.14 -39.95 90.23 Favored 'General case' 0 C--O 1.249 1.058 0 CA-C-O 121.595 0.712 . . . . 25.0 109.862 175.799 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 19.4 t80 -65.97 -43.21 88.54 Favored 'General case' 0 C--N 1.301 -1.515 0 CA-C-N 115.876 -0.602 . . . . 25.0 110.83 177.948 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.323 -0.578 0 N-CA-C 108.707 -0.849 . . . . 25.0 108.707 179.8 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 17.8 pttm . . . . . 0 N--CA 1.476 0.859 0 N-CA-C 113.686 0.995 . . . . 25.0 113.686 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 9.4 tm0? -70.12 -30.27 67.42 Favored 'General case' 0 N--CA 1.429 -1.514 0 CA-C-O 118.635 -0.698 . . . . 25.0 111.725 -178.994 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -59.22 -40.21 85.12 Favored 'General case' 0 N--CA 1.481 1.092 0 CA-C-O 121.807 0.813 . . . . 25.0 112.498 175.964 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 16.9 mt -66.8 -38.41 81.44 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.166 0 N-CA-C 109.123 -0.695 . . . . 25.0 109.123 177.685 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 73.8 mtp -66.01 -37.56 86.22 Favored 'General case' 0 C--O 1.212 -0.894 0 O-C-N 121.076 -1.015 . . . . 25.0 111.63 -178.678 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.87 -42.49 99.13 Favored 'General case' 0 CA--C 1.563 1.47 0 CA-C-N 115.938 -0.574 . . . . 25.0 109.539 178.215 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.8 -49.02 76.6 Favored 'General case' 0 C--O 1.255 1.352 0 N-CA-C 113.11 0.782 . . . . 25.0 113.11 176.482 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 86.2 mt -62.28 -36.19 81.33 Favored 'General case' 0 C--N 1.351 0.648 0 O-C-N 121.723 -0.61 . . . . 25.0 109.363 179.665 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 -70.37 -31.39 68.63 Favored 'General case' 0 C--O 1.203 -1.389 0 CA-C-O 122.497 1.142 . . . . 25.0 109.171 -174.541 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 51.1 m -68.42 -45.83 71.55 Favored 'General case' 0 CA--C 1.554 1.105 0 CA-C-N 115.131 -0.941 . . . . 25.0 109.974 -176.303 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -76.67 -9.4 58.64 Favored 'General case' 0 C--O 1.217 -0.625 0 N-CA-C 115.647 1.721 . . . . 25.0 115.647 -176.288 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 74.1 p -120.03 9.27 11.16 Favored 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 113.451 0.908 . . . . 25.0 113.451 176.766 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.66 -62.57 1.7 Allowed 'General case' 0 C--N 1.316 -0.885 0 CA-C-O 121.152 0.501 . . . . 25.0 112.093 -176.667 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 5.1 p -68.94 -36.39 73.76 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.071 0 CA-C-N 116.093 -0.503 . . . . 25.0 110.944 179.539 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -62.53 -44.99 94.99 Favored 'General case' 0 CA--C 1.516 -0.357 0 N-CA-C 109.188 -0.671 . . . . 25.0 109.188 -176.612 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 12.8 m-30 -76.97 -27.68 54.86 Favored 'General case' 0 C--O 1.195 -1.804 0 N-CA-C 109.016 -0.735 . . . . 25.0 109.016 -178.661 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 44.6 tt0 -60.64 -42.33 96.72 Favored 'General case' 0 C--O 1.245 0.841 0 O-C-N 121.14 -0.975 . . . . 25.0 109.004 176.509 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 33.4 mm-40 -61.12 -42.45 98.55 Favored 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 110.52 -0.178 . . . . 25.0 110.52 -179.788 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 78.8 t80 -69.91 -32.19 70.36 Favored 'General case' 0 N--CA 1.481 1.086 0 N-CA-C 115.012 1.486 . . . . 25.0 115.012 173.395 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.89 -30.88 65.85 Favored 'General case' 0 CA--C 1.547 0.856 0 O-C-N 120.342 -1.474 . . . . 25.0 108.66 -176.386 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.98 -21.41 63.24 Favored 'General case' 0 C--O 1.217 -0.645 0 C-N-CA 123.488 0.715 . . . . 25.0 110.544 176.299 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 40.5 tt0 -85.37 -10.23 56.57 Favored 'General case' 0 C--N 1.313 -0.998 0 CA-C-O 121.843 0.83 . . . . 25.0 108.999 -177.045 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 34.3 mm-40 -106.51 -47.13 3.84 Favored 'General case' 0 C--O 1.239 0.513 0 CA-C-N 115.203 -0.908 . . . . 25.0 110.23 177.587 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 31.5 m-85 -120.38 72.95 20.57 Favored Pre-proline 0 CA--C 1.557 1.237 0 CA-C-O 120.731 0.301 . . . . 25.0 110.497 179.902 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_endo -65.98 146.48 82.66 Favored 'Trans proline' 0 C--N 1.368 1.568 0 C-N-CA 115.393 -2.604 . . . . 25.0 111.522 -178.854 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 74.07 6.89 75.33 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 116.4 1.32 . . . . 25.0 116.4 174.037 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -131.33 77.53 1.78 Allowed 'General case' 0 N--CA 1.444 -0.773 0 CA-C-N 115.01 -0.595 . . . . 25.0 109.457 -177.585 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -54.2 -42.83 70.17 Favored 'General case' 0 CA--C 1.557 1.225 0 N-CA-C 108.621 -0.881 . . . . 25.0 108.621 178.28 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -56.25 -47.43 78.54 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.028 -1.045 . . . . 25.0 111.784 -179.532 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.407 ' HA ' HD12 ' A' ' 36' ' ' ILE . 27.8 mm100 -70.66 -33.4 70.9 Favored 'General case' 0 N--CA 1.439 -0.99 0 N-CA-C 113.597 0.962 . . . . 25.0 113.597 178.208 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -57.98 -37.82 74.93 Favored 'General case' 0 C--O 1.259 1.596 0 C-N-CA 120.121 -0.631 . . . . 25.0 110.617 174.018 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 59.3 mm-40 -70.22 -31.79 69.38 Favored 'General case' 0 N--CA 1.485 1.316 0 CA-C-O 123.817 1.77 . . . . 25.0 111.17 -172.893 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.407 HD12 ' HA ' ' A' ' 33' ' ' GLN . 85.5 mt -68.91 -41.9 82.19 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.99 0 CA-C-N 114.025 -1.443 . . . . 25.0 108.756 -179.34 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 33.0 tp -64.92 -46.2 82.65 Favored 'General case' 0 C--N 1.308 -1.213 0 CA-C-N 114.592 -1.186 . . . . 25.0 112.817 -177.877 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 67.6 mt -58.26 -31.27 41.95 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.917 0 CA-C-N 115.733 -0.667 . . . . 25.0 110.409 173.835 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 11.9 ttp85 -59.95 -42.45 94.09 Favored 'General case' 0 N--CA 1.434 -1.24 0 C-N-CA 118.483 -1.287 . . . . 25.0 110.639 -179.747 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 64.4 tp60 -77.01 -38.51 52.88 Favored 'General case' 0 C--O 1.242 0.684 0 CA-C-O 121.397 0.617 . . . . 25.0 110.794 -176.402 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 71.2 mt -53.91 -43.42 69.69 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 122.987 1.375 . . . . 25.0 110.156 177.978 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -68.56 -39.92 80.82 Favored 'General case' 0 C--O 1.275 2.422 0 O-C-N 121.415 -0.803 . . . . 25.0 111.282 -178.031 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -59.87 -44.01 94.4 Favored 'General case' 0 N--CA 1.489 1.477 0 CA-C-O 121.57 0.7 . . . . 25.0 111.577 176.525 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -68.12 -38.2 81.99 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 121.364 -0.835 . . . . 25.0 110.964 177.863 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 10.5 t60 -63.4 -34.38 77.6 Favored 'General case' 0 N--CA 1.44 -0.927 0 C-N-CA 119.718 -0.793 . . . . 25.0 111.433 175.18 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 10.4 t80 -59.2 -37.35 77.22 Favored 'General case' 0 C--O 1.218 -0.566 0 O-C-N 120.885 -1.135 . . . . 25.0 112.853 176.957 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -67.67 -40.41 84.43 Favored 'General case' 0 C--O 1.254 1.297 0 N-CA-C 108.656 -0.868 . . . . 25.0 108.656 179.454 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -65.72 -40.89 92.66 Favored 'General case' 0 N--CA 1.481 1.103 0 CA-C-O 122.28 1.038 . . . . 25.0 109.008 -179.403 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 34.2 t80 -67.58 -43.05 81.48 Favored 'General case' 0 C--N 1.3 -1.56 0 N-CA-C 107.923 -1.14 . . . . 25.0 107.923 -178.168 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.487 -1.443 0 N-CA-C 113.535 0.939 . . . . 25.0 113.535 176.267 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.629 0 CA-C-O 123.828 1.775 . . . . 25.0 114.239 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 28.6 tt0 -78.8 105.74 10.32 Favored 'General case' 0 C--O 1.224 -0.262 0 O-C-N 120.781 -1.199 . . . . 25.0 111.766 -177.693 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -95.05 14.15 22.81 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 114.476 1.288 . . . . 25.0 114.476 -175.674 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 72.6 mmtt -53.15 -47.05 69.05 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 116.129 1.9 . . . . 25.0 116.129 -175.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 23.1 pt20 -67.47 -22.26 65.48 Favored 'General case' 0 N--CA 1.468 0.438 0 N-CA-C 114.117 1.154 . . . . 25.0 114.117 -174.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 16.6 mm-40 -61.87 -37.12 83.37 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 121.544 0.688 . . . . 25.0 109.906 177.65 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 16.4 mt -67.61 -37.44 78.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.403 -0.817 . . . . 25.0 108.867 -178.608 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 69.7 mtp -65.81 -36.96 84.98 Favored 'General case' 0 C--O 1.223 -0.339 0 O-C-N 122.091 -0.381 . . . . 25.0 111.111 178.392 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.45 -40.81 85.39 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.229 0.538 . . . . 25.0 110.044 178.688 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.1 -46.03 82.75 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.161 0.505 . . . . 25.0 110.312 178.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 57.2 mt -63.15 -33.08 74.69 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.853 -0.612 . . . . 25.0 110.686 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -57.95 -51.08 71.12 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 110.199 -0.297 . . . . 25.0 110.199 178.137 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 19.8 m -65.3 -36.99 85.76 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 112.307 0.484 . . . . 25.0 112.307 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 20.5 mm-40 -71.39 -28.26 63.9 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.986 0.735 . . . . 25.0 112.986 -177.156 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 74.5 p -112.13 5.75 18.74 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 113.149 0.796 . . . . 25.0 113.149 -175.039 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.35 -68.64 0.16 Allowed 'General case' 0 CA--C 1.533 0.315 0 N-CA-C 113.67 0.989 . . . . 25.0 113.67 -174.528 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.9 p -70.7 -27.31 30.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 C-N-CA 120.128 -0.629 . . . . 25.0 110.619 -177.569 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 37.0 tt0 -59.76 -47.81 84.18 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 120.973 0.416 . . . . 25.0 110.339 179.353 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 16.5 m-30 -81.99 -24.69 35.31 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.477 -0.328 . . . . 25.0 111.078 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.522 ' HA ' HD11 ' A' ' 38' ' ' ILE . 46.6 tt0 -62.47 -41.22 98.62 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 122.056 -0.402 . . . . 25.0 111.077 178.35 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -62.89 -39.9 95.92 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.853 -0.425 . . . . 25.0 109.853 179.721 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 86.4 t80 -69.29 -43.26 74.2 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.039 0.447 . . . . 25.0 111.749 177.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.44 -36.91 81.7 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 122.117 -0.365 . . . . 25.0 111.253 -177.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.35 -26.07 67.11 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.542 -0.299 . . . . 25.0 111.619 179.37 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -76.65 -28.99 56.23 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.015 0.436 . . . . 25.0 110.077 178.439 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 30.1 mm100 -89.01 -44.42 10.41 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 113.06 0.763 . . . . 25.0 113.06 -176.279 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -122.47 67.12 27.37 Favored Pre-proline 0 C--O 1.241 0.654 0 CA-C-N 116.154 -0.476 . . . . 25.0 109.86 179.453 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -68.64 142.34 52.86 Favored 'Trans proline' 0 C--N 1.348 0.548 0 C-N-CA 115.761 -2.359 . . . . 25.0 111.677 -177.063 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 82.31 -15.77 27.07 Favored Glycine 0 C--O 1.223 -0.573 0 N-CA-C 114.905 0.722 . . . . 25.0 114.905 -178.623 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 8.4 m120 -109.34 84.18 1.88 Allowed 'General case' 0 CA--C 1.514 -0.441 0 CA-C-N 118.249 1.024 . . . . 25.0 109.92 -178.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 52.1 t80 -55.09 -42.28 72.64 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.648 -0.705 . . . . 25.0 110.979 178.569 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -57.71 -46.8 83.91 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 112.36 0.504 . . . . 25.0 112.36 179.225 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.433 ' HA ' HD12 ' A' ' 36' ' ' ILE . 80.9 mt-30 -72.56 -33.45 66.8 Favored 'General case' 0 CA--C 1.508 -0.667 0 O-C-N 122.128 -0.358 . . . . 25.0 111.241 -178.401 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 68.7 mt-30 -58.55 -38.17 77.27 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.201 -0.666 . . . . 25.0 109.201 175.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 95.6 mm-40 -71.63 -39.39 70.45 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-O 120.961 0.41 . . . . 25.0 111.06 -177.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.433 HD12 ' HA ' ' A' ' 33' ' ' GLN . 72.9 mt -63.13 -42.34 96.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 109.337 -0.616 . . . . 25.0 109.337 178.584 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 47.3 tp -63.04 -49.66 73.69 Favored 'General case' 0 C--O 1.22 -0.478 0 CA-C-N 116.486 -0.324 . . . . 25.0 110.79 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.522 HD11 ' HA ' ' A' ' 20' ' ' GLN . 61.4 mt -56.59 -39.78 64.74 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 CA-C-O 120.641 0.257 . . . . 25.0 110.803 179.079 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 70.4 ttt180 -57.12 -43.71 82.59 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.571 0.224 . . . . 25.0 110.99 178.533 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 47.5 tt0 -73.34 -34.64 65.76 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 111.637 0.236 . . . . 25.0 111.637 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 98.3 mt -62.34 -39.47 93.2 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 109.177 -0.675 . . . . 25.0 109.177 179.085 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -68.06 -36.26 79.57 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.517 -0.311 . . . . 25.0 111.214 179.355 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -68.9 -40.8 78.93 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.046 0.451 . . . . 25.0 110.343 179.323 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -68.86 -37.31 79.0 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 121.715 -0.615 . . . . 25.0 109.647 178.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 66.0 t-80 -62.16 -32.99 73.66 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 121.857 -0.527 . . . . 25.0 109.929 175.699 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 20.9 t80 -63.4 -34.49 77.84 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 121.69 -0.632 . . . . 25.0 111.099 178.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -65.8 -43.18 89.48 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.035 -0.728 . . . . 25.0 109.035 178.487 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 41.7 tt0 -64.35 -41.18 96.89 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.197 -0.456 . . . . 25.0 109.787 178.183 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 22.4 t80 -60.26 -39.73 87.84 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.132 0.491 . . . . 25.0 110.49 179.424 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.04 -38.22 79.03 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 121.868 -0.52 . . . . 25.0 111.654 179.057 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 32.9 mm-40 -66.16 -37.77 86.46 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 110.222 -0.288 . . . . 25.0 110.222 177.062 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -63.86 -44.15 93.96 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.665 -0.494 . . . . 25.0 109.665 177.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 44.3 mt -62.71 -30.02 71.1 Favored 'General case' 0 N--CA 1.468 0.448 0 N-CA-C 112.663 0.616 . . . . 25.0 112.663 -178.619 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -64.64 -39.27 93.4 Favored 'General case' 0 CA--C 1.54 0.56 0 O-C-N 121.866 -0.521 . . . . 25.0 110.218 176.245 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 68.6 mt-30 -72.09 -35.87 69.33 Favored 'General case' 0 C--N 1.322 -0.6 0 O-C-N 121.948 -0.47 . . . . 25.0 110.109 179.304 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 82.9 t -65.54 -39.22 84.41 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.553 0 N-CA-C 109.177 -0.675 . . . . 25.0 109.177 178.313 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 11.4 mm-40 -57.48 -49.9 74.78 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.838 -0.43 . . . . 25.0 109.838 176.486 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 85.9 mt -65.42 -35.15 80.06 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.313 0.486 . . . . 25.0 112.313 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.55 -43.75 96.88 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.129 0.49 . . . . 25.0 109.952 177.466 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 58.9 mt-30 -69.94 -34.44 73.44 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 120.227 -0.589 . . . . 25.0 110.883 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 -64.51 -46.19 84.0 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.637 -0.425 . . . . 25.0 111.256 178.057 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 21.0 pt20 -67.48 -29.94 69.51 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 119.964 -0.694 . . . . 25.0 110.831 -178.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.97 -30.08 71.04 Favored 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 110.589 -0.152 . . . . 25.0 110.589 178.317 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -87.93 -21.41 24.93 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 111.877 0.325 . . . . 25.0 111.877 179.332 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 58.1 mt -91.94 -41.29 10.66 Favored 'General case' 0 C--O 1.219 -0.551 0 N-CA-C 112.584 0.587 . . . . 25.0 112.584 -175.283 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 71.1 mm-40 47.06 36.34 4.14 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 114.369 1.248 . . . . 25.0 114.369 178.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 65.0 pttt -95.36 24.19 5.29 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-O 121.38 0.609 . . . . 25.0 110.569 179.655 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 91.6 mt-30 -149.43 163.14 38.62 Favored 'General case' 0 N--CA 1.443 -0.819 0 N-CA-C 100.538 -3.875 . . . . 25.0 100.538 178.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 . . . . . 0 N--CA 1.487 1.422 0 CA-C-O 126.284 2.945 . . . . 25.0 112.744 -179.928 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 53.1 ttm . . . . . 0 N--CA 1.488 1.428 0 N-CA-C 115.528 1.677 . . . . 25.0 115.528 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -99.61 -10.49 21.95 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-O 121.759 0.79 . . . . 25.0 111.328 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 10.8 mp0 -81.92 76.84 8.8 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.243 -0.89 . . . . 25.0 112.46 -173.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 25.5 pttm -48.86 -37.05 18.4 Favored 'General case' 0 N--CA 1.48 1.07 0 N-CA-C 114.712 1.375 . . . . 25.0 114.712 -179.363 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -69.93 -26.93 64.37 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 113.307 0.854 . . . . 25.0 113.307 -176.205 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 16.5 mm100 -62.62 -40.45 97.0 Favored 'General case' 0 N--CA 1.471 0.625 0 CA-C-O 121.409 0.623 . . . . 25.0 109.599 177.635 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 39.4 mt -68.41 -43.03 84.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 114.515 -1.22 . . . . 25.0 108.308 -176.536 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 75.3 mtp -63.07 -39.81 95.82 Favored 'General case' 0 C--O 1.215 -0.719 0 CA-C-N 116.305 -0.407 . . . . 25.0 110.801 177.61 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.99 -40.01 96.46 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 121.717 -0.615 . . . . 25.0 110.545 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.8 -44.1 82.15 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-O 120.985 0.421 . . . . 25.0 111.274 178.502 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 63.9 mt -64.13 -39.79 94.8 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.795 0.331 . . . . 25.0 110.364 178.712 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 66.9 m-20 -63.94 -36.21 83.22 Favored 'General case' 0 C--O 1.21 -0.986 0 N-CA-C 109.78 -0.452 . . . . 25.0 109.78 179.503 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 22.4 t -65.72 -34.68 78.76 Favored 'General case' 0 N--CA 1.469 0.512 0 O-C-N 121.728 -0.607 . . . . 25.0 111.287 179.467 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 69.0 mt-30 -73.51 -25.66 60.53 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-O 120.788 0.327 . . . . 25.0 111.782 -178.715 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 60.3 p -112.78 -3.64 14.16 Favored 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 113.723 1.009 . . . . 25.0 113.723 -172.209 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -49.46 -61.56 2.03 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 113.321 0.86 . . . . 25.0 113.321 -174.554 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.7 p -75.52 -28.99 20.39 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.577 0 CA-C-O 120.886 0.374 . . . . 25.0 111.515 -178.212 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 27.1 tt0 -64.06 -47.99 77.98 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-O 121.394 0.616 . . . . 25.0 110.751 -178.082 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 19.5 m-30 -74.59 -24.09 58.83 Favored 'General case' 0 C--O 1.215 -0.761 0 CA-C-N 116.216 -0.447 . . . . 25.0 110.255 178.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.416 ' HA ' HD11 ' A' ' 38' ' ' ILE . 19.7 tt0 -63.42 -40.11 96.29 Favored 'General case' 0 C--N 1.323 -0.582 0 O-C-N 121.818 -0.551 . . . . 25.0 111.622 178.541 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -64.86 -41.48 95.64 Favored 'General case' 0 C--O 1.218 -0.566 0 C-N-CA 120.468 -0.493 . . . . 25.0 110.218 179.008 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 62.3 t80 -65.56 -41.91 92.44 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.367 0.603 . . . . 25.0 110.554 177.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.414 ' HA ' HD23 ' A' ' 37' ' ' LEU . . . -64.75 -37.69 88.44 Favored 'General case' 0 C--N 1.317 -0.814 0 O-C-N 121.859 -0.526 . . . . 25.0 110.717 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.83 -30.33 69.71 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.794 -0.447 . . . . 25.0 109.794 179.66 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -71.49 -28.6 64.03 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.288 0.566 . . . . 25.0 110.993 179.284 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -91.96 -45.21 8.46 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.541 -0.754 . . . . 25.0 112.489 -176.175 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -122.73 67.13 29.54 Favored Pre-proline 0 C--N 1.326 -0.419 0 CA-C-N 116.191 -0.458 . . . . 25.0 111.035 179.575 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -68.08 142.34 55.86 Favored 'Trans proline' 0 C--N 1.35 0.61 0 C-N-CA 116.21 -2.06 . . . . 25.0 112.32 -178.441 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 82.11 -12.24 44.84 Favored Glycine 0 C--O 1.228 -0.249 0 N-CA-C 114.952 0.741 . . . . 25.0 114.952 -179.454 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -112.73 85.9 2.26 Favored 'General case' 0 N--CA 1.466 0.346 0 O-C-N 121.493 -1.004 . . . . 25.0 111.167 -178.374 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 24.6 t80 -54.34 -43.33 71.14 Favored 'General case' 0 C--O 1.217 -0.652 0 N-CA-C 111.903 0.334 . . . . 25.0 111.903 179.469 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 19.8 pt-20 -63.27 -43.12 98.87 Favored 'General case' 0 C--O 1.216 -0.675 0 N-CA-C 113.119 0.785 . . . . 25.0 113.119 -178.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.41 ' HA ' HD12 ' A' ' 36' ' ' ILE . 86.1 mm-40 -69.15 -36.19 77.15 Favored 'General case' 0 CA--C 1.509 -0.62 0 CA-C-O 121.365 0.602 . . . . 25.0 110.281 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -59.02 -36.67 75.36 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.082 -0.71 . . . . 25.0 109.082 175.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 93.0 mm-40 -75.04 -36.01 61.87 Favored 'General case' 0 N--CA 1.47 0.532 0 O-C-N 121.946 -0.472 . . . . 25.0 110.881 -177.133 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.41 HD12 ' HA ' ' A' ' 33' ' ' GLN . 86.0 mt -60.99 -45.24 98.91 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 N-CA-C 108.665 -0.865 . . . . 25.0 108.665 178.187 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.414 HD23 ' HA ' ' A' ' 23' ' ' ALA . 38.7 tp -62.13 -51.01 69.6 Favored 'General case' 0 C--O 1.22 -0.458 0 CA-C-N 116.583 -0.28 . . . . 25.0 111.404 179.78 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.416 HD11 ' HA ' ' A' ' 20' ' ' GLN . 71.4 mt -56.26 -42.79 74.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 N-CA-C 112.285 0.476 . . . . 25.0 112.285 -179.835 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 94.8 mtm-85 -62.52 -38.98 92.07 Favored 'General case' 0 N--CA 1.474 0.751 0 O-C-N 121.541 -0.725 . . . . 25.0 110.88 179.43 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 36.7 tp60 -64.48 -39.77 94.42 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.805 0.336 . . . . 25.0 110.181 179.543 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 82.9 mt -64.78 -42.05 95.38 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-O 121.459 0.647 . . . . 25.0 110.849 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -68.73 -35.19 76.81 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 115.787 -0.642 . . . . 25.0 111.385 -176.221 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -64.08 -43.0 96.75 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.256 0.55 . . . . 25.0 110.342 177.132 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 63.0 tp60 -69.56 -35.88 75.8 Favored 'General case' 0 CA--C 1.542 0.648 0 O-C-N 121.755 -0.59 . . . . 25.0 111.357 178.511 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 29.0 t-80 -63.77 -33.93 76.77 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.135 0.493 . . . . 25.0 110.771 177.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 32.6 t80 -61.32 -35.17 76.65 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.383 -0.371 . . . . 25.0 111.428 178.622 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -61.1 -39.61 90.61 Favored 'General case' 0 C--N 1.322 -0.618 0 O-C-N 122.247 -0.283 . . . . 25.0 111.742 178.45 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 66.3 tt0 -63.47 -42.57 98.58 Favored 'General case' 0 N--CA 1.456 -0.135 0 N-CA-C 110.013 -0.365 . . . . 25.0 110.013 179.287 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 33.0 t80 -64.04 -39.86 95.02 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-O 120.682 0.277 . . . . 25.0 111.54 178.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.19 -40.02 95.21 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 121.113 -0.235 . . . . 25.0 111.085 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 72.5 mt-30 -71.34 -34.45 70.54 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.479 0.657 . . . . 25.0 111.052 177.645 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -64.78 -40.9 96.03 Favored 'General case' 0 C--N 1.328 -0.35 0 O-C-N 121.774 -0.579 . . . . 25.0 110.087 178.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 51.0 mt -59.88 -32.75 71.01 Favored 'General case' 0 N--CA 1.47 0.537 0 O-C-N 121.643 -0.661 . . . . 25.0 111.719 -179.376 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -64.58 -40.83 96.25 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-O 121.028 0.442 . . . . 25.0 110.446 177.146 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 81.7 mt-30 -68.76 -37.14 79.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 121.866 -0.522 . . . . 25.0 109.825 179.14 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 88.8 t -67.21 -38.32 80.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 N-CA-C 109.379 -0.6 . . . . 25.0 109.379 179.162 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -60.83 -46.05 92.05 Favored 'General case' 0 N--CA 1.451 -0.405 0 O-C-N 121.982 -0.449 . . . . 25.0 109.903 177.484 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 50.4 mt -66.45 -32.76 74.33 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-O 120.887 0.375 . . . . 25.0 111.645 179.555 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.9 -42.78 99.9 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.203 -0.665 . . . . 25.0 109.203 177.7 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -66.84 -38.86 87.22 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.154 0.502 . . . . 25.0 110.402 179.457 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -63.01 -48.35 79.18 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.337 -0.392 . . . . 25.0 111.996 178.427 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -67.61 -27.99 67.37 Favored 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 120.045 -0.662 . . . . 25.0 111.186 -177.458 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.35 -35.91 82.42 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 110.376 -0.231 . . . . 25.0 110.376 178.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -81.48 -26.67 35.02 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 116.204 -0.453 . . . . 25.0 111.918 179.613 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 65.2 mt -84.12 -48.19 10.11 Favored 'General case' 0 CA--C 1.514 -0.424 0 N-CA-C 112.51 0.559 . . . . 25.0 112.51 -174.717 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 86.5 mm-40 49.66 37.91 13.91 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 113.254 0.835 . . . . 25.0 113.254 -177.776 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 55.2 mtpt -91.61 18.85 6.91 Favored 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 114.254 1.205 . . . . 25.0 114.254 -177.231 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 60.6 mm-40 -92.88 82.82 4.69 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.753 -0.832 . . . . 25.0 108.753 176.454 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 16.7 mp0 . . . . . 0 C--O 1.208 -1.091 0 CA-C-O 124.983 2.325 . . . . 25.0 110.252 177.15 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 87.3 mtp . . . . . 0 N--CA 1.499 1.989 0 CA-C-O 123.939 1.828 . . . . 25.0 114.202 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -121.87 39.3 3.91 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 113.965 -1.471 . . . . 25.0 110.143 178.576 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 47.12 64.85 1.41 Allowed 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 115.24 -0.891 . . . . 25.0 112.87 178.519 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 19.1 pttp -48.78 -31.46 7.04 Favored 'General case' 0 C--O 1.215 -0.76 0 N-CA-C 115.797 1.777 . . . . 25.0 115.797 -176.189 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -61.16 -28.56 69.21 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 112.893 0.701 . . . . 25.0 112.893 179.67 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -65.76 -42.78 90.47 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 121.666 0.746 . . . . 25.0 109.693 177.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 30.4 mt -69.18 -40.56 80.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 N-CA-C 108.306 -0.998 . . . . 25.0 108.306 -177.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 74.5 mtp -61.92 -42.23 98.86 Favored 'General case' 0 C--O 1.212 -0.88 0 CA-C-N 116.593 -0.276 . . . . 25.0 110.448 178.154 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.31 -39.65 91.27 Favored 'General case' 0 CA--C 1.537 0.473 0 O-C-N 121.81 -0.556 . . . . 25.0 111.073 179.308 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.71 -46.5 78.73 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 110.322 -0.251 . . . . 25.0 110.322 179.217 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 82.1 mt -63.16 -40.96 99.07 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 120.868 0.366 . . . . 25.0 111.081 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 62.0 m-20 -60.91 -34.25 74.39 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.085 -0.507 . . . . 25.0 110.859 -178.572 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 32.3 m -69.07 -30.01 68.25 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 111.854 0.316 . . . . 25.0 111.854 -179.468 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 94.7 mm-40 -75.78 -38.46 58.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.242 0.544 . . . . 25.0 111.194 -178.423 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 68.5 p -98.52 -3.6 36.14 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 114.283 1.216 . . . . 25.0 114.283 -172.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -41.01 -68.58 0.17 Allowed 'General case' 0 N--CA 1.468 0.471 0 N-CA-C 115.712 1.745 . . . . 25.0 115.712 -172.253 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 10.0 p -71.24 -29.53 36.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 C-N-CA 120.76 -0.376 . . . . 25.0 111.813 -174.786 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 8.0 tm0? -68.21 -43.13 78.72 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.493 0.663 . . . . 25.0 109.683 -178.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 10.9 m-30 -70.67 -29.62 66.01 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.041 -0.527 . . . . 25.0 109.582 177.263 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.49 ' HA ' HD11 ' A' ' 38' ' ' ILE . 47.3 tt0 -65.7 -37.74 87.3 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 122.178 -0.326 . . . . 25.0 111.106 177.158 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 87.4 mt-30 -64.25 -41.21 97.07 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 110.013 -0.365 . . . . 25.0 110.013 177.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 72.4 t80 -65.75 -43.95 87.41 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.068 0.461 . . . . 25.0 110.482 176.274 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.93 -38.21 87.58 Favored 'General case' 0 C--N 1.323 -0.584 0 O-C-N 121.989 -0.444 . . . . 25.0 111.283 -178.379 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.2 -23.31 62.93 Favored 'General case' 0 C--O 1.217 -0.61 0 CA-C-N 116.772 -0.194 . . . . 25.0 111.116 179.157 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 39.8 tt0 -76.95 -18.71 58.08 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.047 0.451 . . . . 25.0 110.175 178.193 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -100.2 -47.83 4.82 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.143 0.497 . . . . 25.0 111.459 -179.31 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -121.84 69.73 26.85 Favored Pre-proline 0 C--N 1.325 -0.484 0 CA-C-N 116.089 -0.505 . . . . 25.0 110.999 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -66.05 141.87 65.72 Favored 'Trans proline' 0 C--O 1.22 -0.383 0 C-N-CA 116.005 -2.196 . . . . 25.0 113.261 -176.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 80.87 -28.04 2.9 Favored Glycine 0 CA--C 1.523 0.538 0 N-CA-C 115.173 0.829 . . . . 25.0 115.173 -178.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -91.46 86.83 6.19 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 117.841 0.82 . . . . 25.0 110.571 -175.659 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 80.0 t80 -54.8 -45.29 74.33 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.013 -0.539 . . . . 25.0 112.265 -179.43 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -61.27 -46.4 90.49 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 121.838 -0.539 . . . . 25.0 111.847 -178.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.428 ' HA ' HD12 ' A' ' 36' ' ' ILE . 19.7 mm100 -65.77 -38.31 88.69 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 121.924 -0.485 . . . . 25.0 110.734 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -58.54 -38.4 77.71 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.014 -0.736 . . . . 25.0 109.014 177.194 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 93.5 mm-40 -73.74 -36.02 65.1 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 120.948 -0.301 . . . . 25.0 111.173 -176.465 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.428 HD12 ' HA ' ' A' ' 33' ' ' GLN . 81.9 mt -61.18 -47.32 94.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 108.142 -1.059 . . . . 25.0 108.142 176.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 31.5 tp -62.32 -46.56 88.16 Favored 'General case' 0 C--O 1.218 -0.582 0 CA-C-N 116.193 -0.458 . . . . 25.0 111.754 -178.72 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.49 HD11 ' HA ' ' A' ' 20' ' ' GLN . 52.1 mt -57.13 -42.17 79.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 122.319 -0.238 . . . . 25.0 110.499 178.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 95.5 mtm-85 -66.24 -35.66 81.01 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.151 -0.62 . . . . 25.0 111.537 178.441 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 55.6 mt-30 -65.07 -40.42 94.67 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 117.906 0.321 . . . . 25.0 110.228 176.506 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 81.9 mt -62.45 -46.66 87.5 Favored 'General case' 0 C--O 1.217 -0.656 0 N-CA-C 108.783 -0.821 . . . . 25.0 108.783 178.442 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -64.49 -34.92 79.33 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 111.976 0.361 . . . . 25.0 111.976 -177.539 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.3 tm-20 -67.06 -48.41 68.33 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.749 -0.463 . . . . 25.0 109.749 176.706 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 37.9 tp60 -63.43 -39.94 95.82 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.085 0.469 . . . . 25.0 111.241 179.738 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 87.2 m-70 -72.69 -16.92 61.67 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 121.955 -0.466 . . . . 25.0 111.583 178.642 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 65.1 t80 -68.38 -37.37 80.34 Favored 'General case' 0 C--N 1.327 -0.396 0 O-C-N 121.381 -0.824 . . . . 25.0 108.87 173.655 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 70.0 mm-40 -64.15 -42.52 96.74 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 108.757 -0.831 . . . . 25.0 108.757 177.291 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 42.5 tt0 -61.83 -41.08 97.35 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.126 -0.488 . . . . 25.0 110.458 177.116 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 35.8 t80 -63.49 -36.69 84.61 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.766 0.317 . . . . 25.0 110.802 179.685 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.11 -39.87 90.26 Favored 'General case' 0 C--N 1.323 -0.583 0 O-C-N 122.023 -0.423 . . . . 25.0 110.552 177.535 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 91.3 mt-30 -66.58 -39.22 88.35 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.769 0.319 . . . . 25.0 110.185 176.658 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 66.1 tt0 -64.58 -41.61 96.15 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 110.395 -0.224 . . . . 25.0 110.395 179.295 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 21.9 mt -62.72 -30.86 71.73 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 122.168 -0.333 . . . . 25.0 111.603 179.481 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -66.21 -38.95 89.18 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.83 0.348 . . . . 25.0 110.358 175.537 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -66.3 -37.94 86.6 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.838 -0.43 . . . . 25.0 109.838 177.459 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 93.0 t -67.56 -41.98 86.34 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 N-CA-C 108.404 -0.962 . . . . 25.0 108.404 179.471 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -58.76 -50.55 73.52 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.932 0.396 . . . . 25.0 111.74 178.28 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.3 pp -70.0 -27.48 64.73 Favored 'General case' 0 C--N 1.321 -0.654 0 O-C-N 122.218 -0.301 . . . . 25.0 111.435 -176.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.17 -43.12 99.53 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 108.321 -0.992 . . . . 25.0 108.321 175.532 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 84.2 mt-30 -65.96 -33.96 77.02 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.148 -0.478 . . . . 25.0 110.187 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -61.54 -50.23 73.5 Favored 'General case' 0 N--CA 1.465 0.295 0 N-CA-C 110.365 -0.235 . . . . 25.0 110.365 177.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -68.39 -32.47 72.56 Favored 'General case' 0 N--CA 1.465 0.31 0 O-C-N 121.66 -0.65 . . . . 25.0 111.034 -178.016 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.24 -34.35 77.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.518 0.199 . . . . 25.0 110.749 178.579 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -80.25 -22.84 41.3 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 111.966 0.358 . . . . 25.0 111.966 178.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 60.0 mt -90.69 -44.64 9.36 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 113.209 0.818 . . . . 25.0 113.209 -175.228 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 89.5 mm-40 52.12 33.23 11.8 Favored 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 113.509 0.929 . . . . 25.0 113.509 -179.143 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -101.28 16.34 25.84 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 112.923 0.712 . . . . 25.0 112.923 -178.051 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -107.87 74.02 0.93 Allowed 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.723 0.773 . . . . 25.0 110.02 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 24.8 mp0 . . . . . 0 N--CA 1.481 1.077 0 CA-C-O 125.915 2.769 . . . . 25.0 112.545 179.563 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.6 ptt? . . . . . 0 N--CA 1.489 1.482 0 CA-C-O 125.263 2.458 . . . . 25.0 112.108 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 50.5 mt-30 -90.92 -6.18 54.47 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 112.691 -2.049 . . . . 25.0 112.492 -176.167 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 52.7 mt-30 -76.31 116.56 17.11 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 121.889 -0.507 . . . . 25.0 110.006 -179.224 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -116.32 -36.66 3.96 Favored 'General case' 0 C--N 1.316 -0.881 0 N-CA-C 114.205 1.187 . . . . 25.0 114.205 179.606 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -60.84 -31.69 71.12 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-N 119.077 0.853 . . . . 25.0 112.122 -179.051 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -55.99 -39.79 72.36 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-O 121.598 0.713 . . . . 25.0 111.258 177.173 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 29.0 mt -77.73 -43.08 29.4 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.779 0 N-CA-C 108.944 -0.761 . . . . 25.0 108.944 -178.218 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 83.7 mtp -61.82 -39.03 90.35 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.894 -0.593 . . . . 25.0 111.974 -177.774 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.17 -41.68 89.01 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-O 121.307 0.575 . . . . 25.0 111.665 179.349 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.31 -40.9 90.25 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.985 -0.552 . . . . 25.0 111.804 -179.311 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 89.0 mt -66.46 -40.67 89.51 Favored 'General case' 0 C--O 1.223 -0.314 0 CA-C-O 120.737 0.304 . . . . 25.0 110.441 177.569 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -59.0 -35.17 72.79 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 115.959 -0.564 . . . . 25.0 110.604 -177.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 36.2 t -62.83 -44.36 96.36 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 111.953 0.353 . . . . 25.0 111.953 -179.752 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 97.1 mm-40 -68.97 -30.69 69.17 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.165 0.507 . . . . 25.0 111.89 -176.151 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 41.4 p -103.81 5.29 35.87 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 113.021 0.748 . . . . 25.0 113.021 -174.681 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.72 -69.55 0.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 114.342 1.238 . . . . 25.0 114.342 -171.378 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.2 p -70.59 -26.51 28.66 Favored 'Isoleucine or valine' 0 C--O 1.237 0.396 0 CA-C-N 116.13 -0.486 . . . . 25.0 110.702 -176.307 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 48.2 tt0 -62.08 -50.63 71.2 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.331 -0.395 . . . . 25.0 110.318 178.651 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 14.8 m-30 -72.97 -28.58 62.48 Favored 'General case' 0 C--O 1.216 -0.692 0 N-CA-C 109.89 -0.411 . . . . 25.0 109.89 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.456 ' HA ' HD11 ' A' ' 38' ' ' ILE . 31.3 tt0 -63.8 -42.48 97.69 Favored 'General case' 0 C--O 1.22 -0.482 0 CA-C-N 117.997 0.362 . . . . 25.0 111.783 178.01 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 60.0 mm-40 -68.08 -41.42 81.92 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.255 -0.646 . . . . 25.0 109.255 178.412 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 77.9 t80 -59.79 -42.78 94.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.172 0.511 . . . . 25.0 111.479 177.691 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.19 -35.58 79.94 Favored 'General case' 0 C--N 1.323 -0.582 0 O-C-N 121.989 -0.444 . . . . 25.0 111.288 -178.148 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.79 -28.39 68.35 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.581 -0.526 . . . . 25.0 109.581 176.575 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 38.4 tt0 -81.38 -5.96 58.42 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 122.487 0.315 . . . . 25.0 110.719 -179.089 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 59.3 mm-40 -109.66 -47.07 3.41 Favored 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 112.615 0.598 . . . . 25.0 112.615 176.201 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -120.8 70.49 18.47 Favored Pre-proline 0 N--CA 1.466 0.342 0 CA-C-O 120.864 0.364 . . . . 25.0 110.047 179.737 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 67.7 Cg_endo -67.91 141.85 55.07 Favored 'Trans proline' 0 CA--C 1.54 0.8 0 C-N-CA 116.097 -2.135 . . . . 25.0 112.433 -179.342 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 84.88 -15.97 39.81 Favored Glycine 0 C--O 1.222 -0.656 0 N-CA-C 115.096 0.798 . . . . 25.0 115.096 -178.51 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 17.7 m120 -110.17 85.61 2.14 Favored 'General case' 0 CA--C 1.511 -0.547 0 CA-C-N 118.429 1.114 . . . . 25.0 112.115 -177.291 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 62.2 t80 -54.96 -45.07 74.89 Favored 'General case' 0 C--O 1.219 -0.521 0 CA-C-N 116.096 -0.502 . . . . 25.0 111.987 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -59.42 -45.67 90.89 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.536 -0.466 . . . . 25.0 111.926 -179.042 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 77.0 mm-40 -69.66 -35.03 74.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 121.422 -0.799 . . . . 25.0 110.775 -179.581 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -58.53 -37.75 76.29 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.559 -0.534 . . . . 25.0 109.559 176.536 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 87.5 mm-40 -72.67 -38.42 67.62 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 120.519 -0.473 . . . . 25.0 110.991 -177.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 80.1 mt -61.94 -44.14 98.49 Favored 'Isoleucine or valine' 0 C--O 1.238 0.471 0 N-CA-C 109.38 -0.6 . . . . 25.0 109.38 178.211 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 32.3 tp -62.18 -48.52 79.66 Favored 'General case' 0 C--O 1.219 -0.54 0 CA-C-N 115.839 -0.619 . . . . 25.0 111.167 179.445 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.456 HD11 ' HA ' ' A' ' 20' ' ' GLN . 58.9 mt -58.63 -40.58 79.64 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 N-CA-C 109.523 -0.547 . . . . 25.0 109.523 178.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 55.1 ttt85 -57.4 -44.77 84.84 Favored 'General case' 0 N--CA 1.474 0.725 0 O-C-N 122.013 -0.429 . . . . 25.0 110.352 177.765 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -64.95 -40.91 95.74 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 112.239 0.459 . . . . 25.0 112.239 175.264 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 95.9 mt -62.0 -42.97 99.74 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.455 -0.498 . . . . 25.0 110.706 -178.438 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 34.3 mm-40 -66.8 -39.19 87.67 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.487 0.184 . . . . 25.0 111.159 -178.626 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -67.46 -39.54 85.31 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.417 -0.586 . . . . 25.0 109.417 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 69.0 tp60 -67.63 -43.08 81.21 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 112.751 0.648 . . . . 25.0 112.751 178.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 57.5 m80 -67.11 -29.33 69.05 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 120.51 -0.476 . . . . 25.0 110.759 179.631 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 49.0 t80 -62.97 -31.45 72.57 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 112.718 0.636 . . . . 25.0 112.718 174.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 79.4 mm-40 -66.1 -36.27 82.73 Favored 'General case' 0 N--CA 1.468 0.44 0 O-C-N 121.551 -0.718 . . . . 25.0 110.558 -179.692 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 37.4 tt0 -60.92 -39.37 89.15 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.999 0.428 . . . . 25.0 110.167 176.085 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 35.7 t80 -64.77 -41.46 95.86 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.008 0.432 . . . . 25.0 110.057 178.088 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.35 -39.56 92.49 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.822 -0.351 . . . . 25.0 111.363 177.62 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -66.1 -40.47 90.79 Favored 'General case' 0 C--N 1.327 -0.392 0 O-C-N 122.35 -0.219 . . . . 25.0 111.073 178.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 9.1 tp-100 -61.79 -43.4 98.92 Favored 'General case' 0 C--O 1.22 -0.485 0 N-CA-C 109.595 -0.52 . . . . 25.0 109.595 178.437 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 65.9 mt -63.31 -28.13 69.8 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 111.861 0.319 . . . . 25.0 111.861 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -69.22 -37.61 78.12 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 110.007 -0.368 . . . . 25.0 110.007 178.03 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 -69.59 -36.15 75.98 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-O 121.146 0.498 . . . . 25.0 110.018 177.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 84.9 t -67.36 -40.5 84.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.648 -0.705 . . . . 25.0 109.321 178.758 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 3.8 mm100 -59.69 -46.07 90.19 Favored 'General case' 0 CA--C 1.516 -0.361 0 CA-C-O 121.188 0.518 . . . . 25.0 111.003 175.12 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 31.6 mt -65.03 -35.98 82.91 Favored 'General case' 0 C--O 1.215 -0.743 0 C-N-CA 120.419 -0.512 . . . . 25.0 111.871 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.65 -39.53 84.7 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-O 121.088 0.47 . . . . 25.0 110.245 179.573 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 92.5 mt-30 -68.37 -37.52 80.5 Favored 'General case' 0 N--CA 1.443 -0.798 0 CA-C-N 116.111 -0.495 . . . . 25.0 109.971 178.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 71.9 mt-30 -65.41 -40.42 93.37 Favored 'General case' 0 N--CA 1.471 0.589 0 O-C-N 121.738 -0.601 . . . . 25.0 110.546 175.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -60.46 -38.62 84.78 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.429 0.633 . . . . 25.0 111.304 179.078 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -62.11 -32.33 72.88 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.764 -0.653 . . . . 25.0 111.802 -177.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -88.95 -31.2 18.27 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 113.09 0.774 . . . . 25.0 113.09 -179.719 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 63.2 mt -84.98 -43.15 14.25 Favored 'General case' 0 CA--C 1.51 -0.587 0 O-C-N 122.281 -0.262 . . . . 25.0 111.49 -173.676 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 66.7 mt-30 44.3 38.45 2.47 Favored 'General case' 0 CA--C 1.545 0.773 0 O-C-N 124.747 1.279 . . . . 25.0 112.265 -177.087 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 60.0 mmtt -85.76 75.18 10.1 Favored 'General case' 0 C--O 1.219 -0.525 0 CA-C-N 115.411 -0.813 . . . . 25.0 108.926 -178.376 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 16.8 pt20 -115.64 32.23 6.21 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-O 122.128 0.966 . . . . 25.0 111.122 -178.402 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 7.7 mp0 . . . . . 0 N--CA 1.492 1.666 0 C-N-CA 126.153 1.781 . . . . 25.0 113.842 178.541 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.7 mpt? . . . . . 0 N--CA 1.491 1.615 0 CA-C-O 125.443 2.544 . . . . 25.0 111.641 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -69.33 158.93 34.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 112.101 -2.318 . . . . 25.0 108.871 178.226 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 72.1 mt-30 63.1 0.99 0.81 Allowed 'General case' 0 N--CA 1.478 0.963 0 N-CA-C 115.868 1.803 . . . . 25.0 115.868 179.473 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 60.6 tttm -50.98 -44.07 60.7 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 122.979 0.512 . . . . 25.0 111.943 175.671 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.8 tm0? -60.29 -35.05 74.68 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 112.924 0.713 . . . . 25.0 112.924 -177.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -65.61 -40.72 92.95 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.422 0.63 . . . . 25.0 110.898 -178.685 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 8.8 mt -68.68 -40.38 81.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 108.491 -0.929 . . . . 25.0 108.491 -179.014 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 83.9 mtp -63.69 -37.52 87.66 Favored 'General case' 0 C--O 1.22 -0.458 0 CA-C-N 116.315 -0.402 . . . . 25.0 110.948 178.496 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.01 -37.07 83.47 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.703 0.287 . . . . 25.0 110.477 179.411 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.75 -44.56 89.7 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 110.095 -0.335 . . . . 25.0 110.095 177.684 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 90.5 mt -64.34 -38.67 91.86 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-O 120.658 0.266 . . . . 25.0 110.592 178.639 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -64.09 -39.34 93.85 Favored 'General case' 0 C--O 1.22 -0.493 0 N-CA-C 109.421 -0.585 . . . . 25.0 109.421 -179.518 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 33.4 t -63.3 -41.72 98.98 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.141 0.496 . . . . 25.0 110.759 179.444 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 91.3 mm-40 -69.67 -37.68 76.77 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.952 0.723 . . . . 25.0 112.952 -179.499 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 74.4 p -105.94 -1.19 24.36 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 116.415 2.006 . . . . 25.0 116.415 -169.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -49.32 -68.1 0.21 Allowed 'General case' 0 CA--C 1.543 0.688 0 N-CA-C 114.086 1.143 . . . . 25.0 114.086 -176.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 8.4 p -69.56 -27.99 36.02 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.452 0 O-C-N 121.951 -0.468 . . . . 25.0 110.797 -177.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 48.7 tt0 -63.5 -48.0 79.38 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.477 0.656 . . . . 25.0 110.224 -179.37 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 14.6 m-30 -76.14 -23.77 54.83 Favored 'General case' 0 C--O 1.218 -0.571 0 CA-C-N 115.978 -0.555 . . . . 25.0 110.545 -179.428 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.481 ' HA ' HD11 ' A' ' 38' ' ' ILE . 43.3 tt0 -61.77 -38.4 87.91 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 122.174 -0.329 . . . . 25.0 111.103 177.273 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -64.32 -42.72 96.18 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 121.072 0.463 . . . . 25.0 109.987 179.283 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 75.1 t80 -66.86 -40.61 87.93 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.201 0.524 . . . . 25.0 111.047 178.041 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.432 ' HA ' HD23 ' A' ' 37' ' ' LEU . . . -63.6 -38.51 91.41 Favored 'General case' 0 C--N 1.322 -0.601 0 O-C-N 121.997 -0.439 . . . . 25.0 110.625 -179.087 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.3 -25.92 64.47 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.721 -0.218 . . . . 25.0 110.638 178.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 42.9 tt0 -75.4 -23.22 57.01 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.964 0.412 . . . . 25.0 110.643 179.11 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 10.7 mm-40 -96.8 -46.95 6.05 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 116.096 -0.502 . . . . 25.0 112.32 -178.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -121.73 70.23 26.62 Favored Pre-proline 0 C--O 1.24 0.555 0 N-CA-C 109.736 -0.468 . . . . 25.0 109.736 -179.434 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_endo -66.9 139.44 51.7 Favored 'Trans proline' 0 C--O 1.221 -0.34 0 C-N-CA 116.363 -1.958 . . . . 25.0 113.133 -175.448 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 80.39 -24.54 3.57 Favored Glycine 0 CA--C 1.522 0.486 0 N-CA-C 114.989 0.756 . . . . 25.0 114.989 -178.676 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 21.4 m120 -90.24 84.62 6.09 Favored 'General case' 0 CA--C 1.512 -0.488 0 CA-C-N 118.02 0.91 . . . . 25.0 109.871 -176.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 79.7 t80 -55.17 -45.6 75.75 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.772 -0.194 . . . . 25.0 111.466 -179.156 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -58.58 -45.7 88.48 Favored 'General case' 0 C--N 1.323 -0.576 0 O-C-N 121.995 -0.441 . . . . 25.0 111.857 -179.445 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.482 ' HA ' HD12 ' A' ' 36' ' ' ILE . 97.0 mm-40 -72.56 -34.12 67.28 Favored 'General case' 0 CA--C 1.504 -0.813 0 O-C-N 121.814 -0.554 . . . . 25.0 111.165 -176.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 53.9 mt-30 -57.28 -37.51 72.5 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 108.698 -0.852 . . . . 25.0 108.698 175.317 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -75.64 -38.01 59.21 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.7 -0.4 . . . . 25.0 111.372 -177.68 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.482 HD12 ' HA ' ' A' ' 33' ' ' GLN . 65.1 mt -61.85 -40.02 85.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 N-CA-C 108.981 -0.748 . . . . 25.0 108.981 176.773 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.432 HD23 ' HA ' ' A' ' 23' ' ' ALA . 26.9 tp -65.52 -51.22 61.51 Favored 'General case' 0 C--O 1.219 -0.541 0 O-C-N 122.185 -0.322 . . . . 25.0 110.914 178.654 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.481 HD11 ' HA ' ' A' ' 20' ' ' GLN . 61.7 mt -56.88 -39.52 65.52 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 CA-C-O 120.568 0.223 . . . . 25.0 110.613 178.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 79.4 ttt180 -57.0 -41.0 77.68 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 122.006 -0.434 . . . . 25.0 111.241 177.603 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -72.9 -40.56 65.44 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.928 -0.123 . . . . 25.0 111.265 178.533 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 87.6 mt -61.04 -41.0 95.75 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-O 121.088 0.47 . . . . 25.0 110.286 -179.039 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -68.72 -34.39 75.54 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 111.928 0.344 . . . . 25.0 111.928 -178.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -71.1 -41.92 69.97 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.535 -0.542 . . . . 25.0 109.535 176.127 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 16.2 tm0? -60.66 -42.52 97.19 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.769 -0.456 . . . . 25.0 109.769 178.129 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 23.2 t-160 -61.57 -40.16 93.76 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.666 -0.494 . . . . 25.0 109.666 177.45 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 73.3 t80 -64.26 -40.45 96.02 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 121.939 -0.475 . . . . 25.0 112.176 177.211 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 91.4 mm-40 -63.21 -41.34 99.14 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.562 -0.533 . . . . 25.0 109.562 178.537 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 17.6 tm0? -63.52 -42.29 98.47 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.7 -0.481 . . . . 25.0 109.7 177.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 38.3 t80 -60.42 -40.29 90.5 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.041 0.448 . . . . 25.0 111.304 178.003 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.31 -40.35 86.0 Favored 'General case' 0 C--N 1.322 -0.588 0 O-C-N 121.932 -0.48 . . . . 25.0 111.618 179.425 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -65.59 -38.99 91.08 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.696 -0.483 . . . . 25.0 109.696 177.381 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -64.11 -45.46 88.48 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.501 0.191 . . . . 25.0 110.866 179.056 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 37.6 mt -62.51 -31.3 72.04 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.058 0.392 . . . . 25.0 112.058 -178.404 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -63.26 -38.89 92.92 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.018 0.437 . . . . 25.0 110.676 176.197 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 80.8 mt-30 -69.54 -36.0 75.98 Favored 'General case' 0 C--O 1.22 -0.478 0 O-C-N 122.086 -0.384 . . . . 25.0 110.357 178.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 87.9 t -68.48 -41.03 82.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 N-CA-C 108.751 -0.833 . . . . 25.0 108.751 179.422 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 8.4 mm-40 -57.5 -52.61 64.7 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.418 0.627 . . . . 25.0 111.793 177.032 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.2 pp -70.38 -27.34 64.23 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.977 -0.556 . . . . 25.0 112.281 -176.413 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.23 -41.31 88.4 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.325 -0.62 . . . . 25.0 109.325 177.085 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 81.0 mt-30 -66.01 -36.79 84.22 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.295 -0.632 . . . . 25.0 109.295 -179.09 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 12.7 mm-40 -64.83 -47.22 78.8 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.118 -0.492 . . . . 25.0 111.645 -179.522 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -67.08 -30.85 71.0 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 121.72 -0.612 . . . . 25.0 110.84 -177.163 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.71 -32.09 73.44 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-O 120.716 0.293 . . . . 25.0 111.11 177.432 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -83.79 -30.22 26.76 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 112.053 0.39 . . . . 25.0 112.053 179.464 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 75.9 mt -87.21 -42.08 13.24 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.195 0.442 . . . . 25.0 112.195 -174.516 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 50.38 37.13 14.64 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-O 121.932 0.872 . . . . 25.0 111.778 179.492 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 13.0 mptt -121.45 29.19 7.35 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-O 121.727 0.775 . . . . 25.0 110.924 -176.196 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 15.0 pt20 -77.37 61.72 2.24 Favored 'General case' 0 CA--C 1.545 0.752 0 CA-C-O 122.184 0.992 . . . . 25.0 113.044 -178.371 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 . . . . . 0 C--O 1.209 -1.03 0 C-N-CA 125.803 1.641 . . . . 25.0 112.634 178.542 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.473 0.706 0 CA-C-O 124.34 2.019 . . . . 25.0 115.712 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 5.0 pm0 -85.72 128.6 34.84 Favored 'General case' 0 CA--C 1.54 0.576 0 O-C-N 120.678 -1.264 . . . . 25.0 108.676 174.46 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -95.77 100.78 12.45 Favored 'General case' 0 C--N 1.322 -0.6 0 O-C-N 121.508 -0.745 . . . . 25.0 111.714 -177.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 59.4 mtpt -55.11 -32.51 62.09 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 114.139 1.163 . . . . 25.0 114.139 -179.144 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 20.0 pt20 -63.97 -25.06 67.97 Favored 'General case' 0 C--O 1.216 -0.683 0 N-CA-C 113.83 1.048 . . . . 25.0 113.83 -178.505 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 99.4 mt-30 -66.02 -42.62 89.39 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 121.84 0.829 . . . . 25.0 109.203 178.36 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 42.3 mt -65.63 -40.66 88.63 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.814 0 CA-C-N 114.999 -1.0 . . . . 25.0 109.673 -177.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 69.7 mtp -65.22 -39.42 92.73 Favored 'General case' 0 C--O 1.223 -0.321 0 CA-C-N 115.962 -0.563 . . . . 25.0 110.278 178.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.0 -41.35 97.95 Favored 'General case' 0 CA--C 1.535 0.393 0 O-C-N 122.099 -0.376 . . . . 25.0 110.754 179.613 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.61 -48.04 76.39 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.124 0.488 . . . . 25.0 111.142 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 82.9 mt -64.89 -33.45 76.04 Favored 'General case' 0 C--O 1.221 -0.44 0 CA-C-N 115.698 -0.683 . . . . 25.0 110.831 -178.017 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 43.3 m-20 -65.97 -37.05 85.0 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.561 -0.456 . . . . 25.0 110.767 -178.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 54.6 m -66.02 -36.17 82.53 Favored 'General case' 0 C--O 1.222 -0.346 0 O-C-N 122.055 -0.403 . . . . 25.0 111.393 177.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 80.2 mt-30 -72.39 -21.16 61.32 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 112.45 0.537 . . . . 25.0 112.45 -178.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 57.5 p -114.61 0.08 13.82 Favored 'General case' 0 C--N 1.316 -0.873 0 N-CA-C 112.692 0.627 . . . . 25.0 112.692 -172.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -50.16 -66.1 0.45 Allowed 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 113.569 0.952 . . . . 25.0 113.569 -176.356 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.9 p -77.89 -27.47 15.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-O 121.481 0.658 . . . . 25.0 110.654 -179.202 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -61.97 -46.58 88.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 121.699 -0.626 . . . . 25.0 111.353 -176.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 17.4 m-30 -81.58 -19.84 41.11 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.497 -0.557 . . . . 25.0 109.497 -178.655 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.522 ' HA ' HD11 ' A' ' 38' ' ' ILE . 60.0 tt0 -64.79 -41.38 95.87 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 120.417 -0.513 . . . . 25.0 111.204 178.477 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -61.95 -40.45 95.57 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.802 -0.359 . . . . 25.0 110.131 178.716 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 71.7 t80 -67.53 -41.31 84.54 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.083 0.468 . . . . 25.0 111.354 176.543 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.423 ' HA ' HD23 ' A' ' 37' ' ' LEU . . . -61.02 -37.6 83.12 Favored 'General case' 0 N--CA 1.448 -0.569 0 O-C-N 122.178 -0.326 . . . . 25.0 111.154 -179.718 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.57 -24.72 66.39 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 111.967 0.358 . . . . 25.0 111.967 179.627 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.66 -25.05 38.51 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.794 -0.447 . . . . 25.0 109.794 -179.125 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 29.3 mm-40 -91.38 -44.31 9.23 Favored 'General case' 0 C--O 1.217 -0.648 0 N-CA-C 112.055 0.391 . . . . 25.0 112.055 -179.359 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -122.85 69.69 36.92 Favored Pre-proline 0 C--N 1.325 -0.476 0 CA-C-O 121.402 0.62 . . . . 25.0 110.482 -178.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -68.99 138.08 39.38 Favored 'Trans proline' 0 C--O 1.218 -0.504 0 C-N-CA 116.692 -1.739 . . . . 25.0 112.983 -176.038 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 84.55 -13.39 52.23 Favored Glycine 0 C--O 1.22 -0.759 0 N-CA-C 115.101 0.801 . . . . 25.0 115.101 -179.56 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -107.53 87.42 2.5 Favored 'General case' 0 CA--C 1.503 -0.846 0 O-C-N 122.084 -0.656 . . . . 25.0 111.001 -176.307 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 28.7 t80 -56.14 -43.82 78.63 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.278 -0.874 . . . . 25.0 111.102 -179.583 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -60.24 -47.37 86.29 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.5 -0.318 . . . . 25.0 111.809 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -69.51 -34.45 74.3 Favored 'General case' 0 CA--C 1.505 -0.76 0 O-C-N 121.533 -0.729 . . . . 25.0 110.798 -177.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 68.7 mt-30 -60.36 -37.32 80.34 Favored 'General case' 0 C--N 1.315 -0.923 0 N-CA-C 109.916 -0.401 . . . . 25.0 109.916 177.039 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 93.2 mm-40 -71.18 -40.12 71.42 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-O 121.643 0.735 . . . . 25.0 109.657 -178.461 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 86.1 mt -61.87 -42.72 95.71 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 N-CA-C 109.438 -0.578 . . . . 25.0 109.438 178.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.423 HD23 ' HA ' ' A' ' 23' ' ' ALA . 25.4 tp -64.02 -46.84 82.67 Favored 'General case' 0 C--O 1.221 -0.417 0 CA-C-O 120.608 0.242 . . . . 25.0 111.418 -178.426 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.522 HD11 ' HA ' ' A' ' 20' ' ' GLN . 45.7 mt -55.98 -40.19 61.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 N-CA-C 110.139 -0.319 . . . . 25.0 110.139 177.516 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 7.0 tmm_? -62.45 -41.67 98.91 Favored 'General case' 0 N--CA 1.48 1.043 0 O-C-N 121.852 -0.53 . . . . 25.0 111.46 177.165 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -62.37 -43.28 99.2 Favored 'General case' 0 C--O 1.238 0.46 0 CA-C-O 121.444 0.64 . . . . 25.0 110.973 177.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 88.8 mt -67.25 -38.88 85.9 Favored 'General case' 0 C--O 1.244 0.813 0 CA-C-N 115.643 -0.708 . . . . 25.0 110.21 -177.546 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -69.74 -34.75 74.27 Favored 'General case' 0 C--N 1.322 -0.593 0 O-C-N 122.344 -0.222 . . . . 25.0 111.165 -179.703 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -67.01 -41.0 87.43 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-O 121.492 0.663 . . . . 25.0 110.512 176.472 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 47.7 tp60 -66.88 -41.07 87.83 Favored 'General case' 0 C--N 1.318 -0.762 0 O-C-N 121.763 -0.586 . . . . 25.0 110.88 178.045 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 41.1 t-80 -64.02 -34.43 77.99 Favored 'General case' 0 N--CA 1.451 -0.42 0 O-C-N 122.14 -0.35 . . . . 25.0 111.489 177.342 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 72.3 t80 -62.17 -37.54 85.64 Favored 'General case' 0 C--O 1.241 0.625 0 C-N-CA 120.261 -0.576 . . . . 25.0 111.093 177.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 -65.34 -42.59 92.73 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.902 -0.407 . . . . 25.0 109.902 178.744 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -62.93 -43.63 98.28 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.284 -0.636 . . . . 25.0 109.284 178.301 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 39.7 t80 -60.36 -41.7 94.24 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.552 -0.295 . . . . 25.0 110.852 179.636 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.9 -39.6 90.74 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.778 -0.369 . . . . 25.0 111.447 178.543 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 31.1 tt0 -63.46 -43.39 97.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.469 . . . . 25.0 110.204 177.407 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 60.0 tp60 -62.87 -43.99 97.31 Favored 'General case' 0 C--O 1.238 0.452 0 O-C-N 121.654 -0.654 . . . . 25.0 110.103 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 53.4 mt -60.64 -33.39 72.71 Favored 'General case' 0 C--O 1.211 -0.942 0 CA-C-N 116.614 -0.266 . . . . 25.0 111.224 178.248 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -67.33 -38.5 84.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 122.111 -0.368 . . . . 25.0 110.079 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 70.3 mt-30 -72.21 -32.97 67.25 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 121.176 0.512 . . . . 25.0 110.939 178.531 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 73.1 t -69.9 -38.82 76.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 108.12 -1.067 . . . . 25.0 108.12 177.76 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 -58.33 -48.4 80.66 Favored 'General case' 0 C--O 1.215 -0.754 0 O-C-N 121.695 -0.628 . . . . 25.0 109.681 176.392 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 45.5 mt -61.78 -38.82 89.47 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.646 0.26 . . . . 25.0 111.24 179.508 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.83 -45.16 90.68 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.667 -0.494 . . . . 25.0 109.667 178.192 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 85.2 mt-30 -67.49 -36.79 81.77 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 116.021 -0.536 . . . . 25.0 111.034 -179.341 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -65.52 -46.12 80.85 Favored 'General case' 0 C--O 1.22 -0.491 0 N-CA-C 109.869 -0.419 . . . . 25.0 109.869 179.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -69.32 -25.36 64.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 120.88 -1.137 . . . . 25.0 111.949 179.2 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -72.28 -34.47 68.22 Favored 'General case' 0 C--O 1.213 -0.853 0 N-CA-C 109.358 -0.608 . . . . 25.0 109.358 177.593 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -70.28 -41.3 73.58 Favored 'General case' 0 N--CA 1.443 -0.787 0 CA-C-O 120.929 0.395 . . . . 25.0 110.16 178.164 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 88.7 mt -70.5 -42.96 70.65 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.025 -0.534 . . . . 25.0 111.275 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 41.31 36.01 0.47 Allowed 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 125.224 1.41 . . . . 25.0 114.163 -176.264 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 5.9 tmtt? -124.66 32.85 5.36 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-N 115.863 -0.608 . . . . 25.0 112.299 -177.274 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 58.85 52.12 6.84 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-O 122.766 1.269 . . . . 25.0 110.795 -176.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 82.2 mt-30 . . . . . 0 C--O 1.211 -0.947 0 CA-C-N 113.573 -1.649 . . . . 25.0 110.761 -177.958 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 84.8 mtp . . . . . 0 C--O 1.209 -1.033 0 CA-C-O 122.521 1.153 . . . . 25.0 113.245 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 23.5 pt20 -156.26 172.88 17.71 Favored 'General case' 0 C--O 1.219 -0.503 0 N-CA-C 108.085 -1.08 . . . . 25.0 108.085 -177.409 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 53.77 33.96 18.04 Favored 'General case' 0 N--CA 1.474 0.746 0 N-CA-C 113.659 0.985 . . . . 25.0 113.659 179.06 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 55.3 mtpt -61.43 -30.97 70.91 Favored 'General case' 0 N--CA 1.473 0.698 0 O-C-N 121.86 -0.525 . . . . 25.0 112.245 179.495 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 55.0 tp60 -67.2 -30.16 70.02 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 112.62 0.6 . . . . 25.0 112.62 179.434 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -63.94 -36.76 85.01 Favored 'General case' 0 CA--C 1.511 -0.539 0 CA-C-O 121.552 0.692 . . . . 25.0 109.437 178.636 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 36.4 mt -70.48 -43.81 77.65 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.92 0 CA-C-N 115.002 -0.999 . . . . 25.0 108.922 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 94.3 mmm -61.24 -35.52 77.46 Favored 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 112.343 0.497 . . . . 25.0 112.343 177.228 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.72 -41.57 78.84 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.583 -0.525 . . . . 25.0 109.583 177.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.78 -44.14 86.64 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-O 120.978 0.418 . . . . 25.0 110.064 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 94.7 mt -64.72 -30.43 71.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.454 -0.339 . . . . 25.0 111.026 179.501 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -60.05 -43.76 95.15 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 120.729 0.3 . . . . 25.0 110.431 179.118 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 24.8 m -68.7 -36.91 79.07 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 116.428 -0.351 . . . . 25.0 111.427 178.7 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -72.16 -23.99 61.37 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 113.37 0.878 . . . . 25.0 113.37 -177.484 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 72.3 p -113.71 -3.07 13.58 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 113.849 1.055 . . . . 25.0 113.849 -173.162 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -48.35 -71.2 0.07 Allowed 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 114.962 1.467 . . . . 25.0 114.962 -172.546 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.9 p -70.57 -28.59 35.15 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 CA-C-O 121.223 0.535 . . . . 25.0 110.759 -176.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -60.47 -48.32 82.29 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.409 0.623 . . . . 25.0 110.761 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 15.8 m-30 -80.31 -24.02 40.25 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.363 -0.38 . . . . 25.0 111.041 -179.255 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.495 ' HA ' HD11 ' A' ' 38' ' ' ILE . 41.4 tt0 -61.24 -39.74 91.44 Favored 'General case' 0 N--CA 1.47 0.57 0 O-C-N 121.76 -0.588 . . . . 25.0 111.321 176.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -60.76 -46.13 91.63 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 120.994 0.426 . . . . 25.0 110.281 177.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 85.2 t80 -66.35 -36.45 82.93 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 120.975 0.417 . . . . 25.0 111.818 178.417 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.504 ' HA ' HD23 ' A' ' 37' ' ' LEU . . . -64.19 -38.16 90.06 Favored 'General case' 0 C--N 1.32 -0.682 0 O-C-N 122.152 -0.343 . . . . 25.0 110.181 -178.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.39 -29.08 65.63 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 110.118 -0.327 . . . . 25.0 110.118 177.248 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 32.7 tt0 -70.58 -16.15 62.83 Favored 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 112.393 0.516 . . . . 25.0 112.393 176.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 67.7 mm-40 -106.34 -50.37 3.16 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 112.402 0.519 . . . . 25.0 112.402 178.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 16.6 m-85 -121.66 69.98 25.52 Favored Pre-proline 0 C--O 1.241 0.619 0 C-N-CA 122.364 0.266 . . . . 25.0 110.638 -176.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -68.25 141.75 53.02 Favored 'Trans proline' 0 C--N 1.351 0.691 0 C-N-CA 115.702 -2.399 . . . . 25.0 112.66 -177.497 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 85.84 -22.12 12.74 Favored Glycine 0 C--N 1.332 0.323 0 C-N-CA 121.259 -0.496 . . . . 25.0 114.067 -179.014 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 10.6 m120 -100.54 86.04 3.06 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 118.713 1.256 . . . . 25.0 111.675 -175.336 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 79.2 t80 -54.83 -47.13 74.49 Favored 'General case' 0 N--CA 1.469 0.521 0 N-CA-C 112.009 0.374 . . . . 25.0 112.009 -178.479 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -59.47 -46.08 89.82 Favored 'General case' 0 CA--C 1.543 0.708 0 O-C-N 122.156 -0.34 . . . . 25.0 111.754 -179.197 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.402 ' HA ' HD12 ' A' ' 36' ' ' ILE . 87.7 mt-30 -69.94 -33.29 71.94 Favored 'General case' 0 CA--C 1.512 -0.493 0 O-C-N 121.797 -0.564 . . . . 25.0 110.846 -177.788 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 69.3 mt-30 -60.25 -37.47 80.49 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.208 -0.664 . . . . 25.0 109.208 175.02 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 95.6 mm-40 -71.83 -39.24 69.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 122.108 -0.37 . . . . 25.0 110.369 -178.644 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.402 HD12 ' HA ' ' A' ' 33' ' ' GLN . 80.7 mt -63.27 -42.57 96.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 N-CA-C 109.096 -0.705 . . . . 25.0 109.096 178.546 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.504 HD23 ' HA ' ' A' ' 23' ' ' ALA . 36.4 tp -64.05 -48.16 77.34 Favored 'General case' 0 C--O 1.215 -0.76 0 CA-C-N 115.736 -0.665 . . . . 25.0 110.901 179.458 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.495 HD11 ' HA ' ' A' ' 20' ' ' GLN . 57.4 mt -56.68 -37.4 52.59 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 O-C-N 122.202 -0.311 . . . . 25.0 110.845 177.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.07 -47.35 86.25 Favored 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 108.285 -1.006 . . . . 25.0 108.285 177.532 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 48.6 tt0 -63.3 -40.52 97.57 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 116.486 -0.325 . . . . 25.0 111.013 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 80.0 mt -63.62 -37.06 85.88 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 122.113 -0.367 . . . . 25.0 110.706 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -69.78 -36.21 75.54 Favored 'General case' 0 C--N 1.319 -0.729 0 O-C-N 122.411 -0.181 . . . . 25.0 110.881 178.228 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 63.8 mt-10 -68.9 -35.63 77.08 Favored 'General case' 0 C--N 1.321 -0.66 0 O-C-N 122.102 -0.373 . . . . 25.0 110.107 177.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 18.0 tm0? -68.45 -44.57 74.6 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.66 -0.496 . . . . 25.0 109.66 174.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 59.7 t60 -59.43 -31.33 69.19 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.194 -0.457 . . . . 25.0 111.794 -179.54 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 32.8 t80 -57.85 -35.07 70.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.473 -0.331 . . . . 25.0 111.614 177.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 83.3 mt-30 -65.66 -44.15 87.2 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.244 -0.65 . . . . 25.0 109.244 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 28.6 tt0 -65.92 -41.55 91.24 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.996 0.427 . . . . 25.0 110.495 179.04 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 26.9 t80 -62.53 -40.37 96.58 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.45 -0.341 . . . . 25.0 111.006 178.454 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.29 -38.67 85.42 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.905 0.384 . . . . 25.0 111.872 178.224 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 22.7 tm0? -64.68 -40.74 95.91 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.79 -0.448 . . . . 25.0 109.79 177.501 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 65.9 tp60 -64.57 -41.26 96.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 122.132 -0.355 . . . . 25.0 110.053 177.707 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 34.9 mt -65.9 -25.96 67.4 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 112.117 0.414 . . . . 25.0 112.117 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -66.14 -35.79 81.41 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-O 121.256 0.55 . . . . 25.0 109.756 175.299 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 63.6 mt-30 -71.16 -34.62 71.14 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.158 0.504 . . . . 25.0 110.102 176.658 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 92.9 t -69.73 -38.47 76.22 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 N-CA-C 108.679 -0.86 . . . . 25.0 108.679 178.655 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -58.26 -52.49 65.37 Favored 'General case' 0 CA--C 1.505 -0.754 0 CA-C-N 116.199 -0.455 . . . . 25.0 110.462 177.619 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.4 pp -72.22 -27.31 62.45 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.073 0.397 . . . . 25.0 112.073 -176.736 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.1 -42.06 93.89 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.799 -0.445 . . . . 25.0 109.799 176.415 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -65.96 -33.46 75.87 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.477 -0.489 . . . . 25.0 110.205 -178.314 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 82.8 mm-40 -66.01 -50.51 64.0 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 120.618 -0.433 . . . . 25.0 110.421 178.438 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -68.63 -28.71 67.14 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 120.104 -0.638 . . . . 25.0 110.941 -176.453 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -62.77 -34.24 76.82 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-O 120.49 0.186 . . . . 25.0 111.36 176.452 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -84.85 -24.34 28.64 Favored 'General case' 0 N--CA 1.466 0.356 0 N-CA-C 112.229 0.455 . . . . 25.0 112.229 179.517 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 63.0 mt -86.65 -39.34 16.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.831 -0.168 . . . . 25.0 111.418 -176.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 95.0 mm-40 51.94 31.96 9.29 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-O 121.86 0.838 . . . . 25.0 112.179 -177.298 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 19.0 mmtt -94.54 5.17 52.61 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 113.526 0.936 . . . . 25.0 113.526 -174.518 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 81.2 mt-30 -121.15 67.41 0.87 Allowed 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.606 0.717 . . . . 25.0 110.974 -175.082 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 42.4 tt0 . . . . . 0 C--O 1.217 -0.655 0 CA-C-O 123.965 1.841 . . . . 25.0 110.688 179.375 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.4 ttm . . . . . 0 N--CA 1.497 1.905 0 CA-C-O 126.213 2.911 . . . . 25.0 113.095 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -106.54 88.44 2.77 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 112.909 -1.95 . . . . 25.0 111.243 -177.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 23.1 mp0 -117.79 99.2 6.78 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-O 120.817 0.341 . . . . 25.0 111.355 -178.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 19.5 ptpt -56.4 -29.47 61.57 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 114.287 1.217 . . . . 25.0 114.287 179.26 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 82.1 mt-30 -65.68 -27.39 68.32 Favored 'General case' 0 C--O 1.216 -0.71 0 N-CA-C 113.237 0.829 . . . . 25.0 113.237 -178.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 91.8 mt-30 -70.37 -38.59 74.77 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 120.832 -0.347 . . . . 25.0 110.222 177.453 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 42.4 mt -68.02 -42.37 85.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 N-CA-C 107.725 -1.213 . . . . 25.0 107.725 178.612 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 81.8 mmm -60.13 -42.1 94.1 Favored 'General case' 0 C--O 1.209 -1.078 0 CA-C-N 116.519 -0.309 . . . . 25.0 110.258 177.768 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.28 -39.64 91.17 Favored 'General case' 0 C--O 1.243 0.743 0 CA-C-N 118.909 0.777 . . . . 25.0 111.208 179.411 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.7 -44.91 80.41 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.067 0.461 . . . . 25.0 110.409 178.166 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 86.4 mt -64.48 -40.06 94.98 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 121.335 0.588 . . . . 25.0 110.041 179.324 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 62.6 m-20 -60.79 -38.55 85.7 Favored 'General case' 0 C--O 1.216 -0.705 0 O-C-N 121.68 -0.638 . . . . 25.0 110.413 -179.36 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 57.0 m -69.76 -41.23 75.47 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.571 -0.451 . . . . 25.0 111.699 -177.078 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -77.75 -20.46 53.4 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 113.106 0.78 . . . . 25.0 113.106 -176.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 70.8 p -105.05 2.29 29.35 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.579 0.228 . . . . 25.0 111.586 -179.688 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -47.85 -67.19 0.3 Allowed 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 114.821 1.415 . . . . 25.0 114.821 -172.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 8.4 p -71.56 -26.93 27.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 C-N-CA 120.367 -0.533 . . . . 25.0 111.037 -174.259 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 64.1 tt0 -62.25 -48.77 78.47 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.792 -0.447 . . . . 25.0 109.792 177.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 18.3 m-30 -75.65 -31.55 59.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.7 -0.227 . . . . 25.0 110.561 -179.708 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 17.0 tm0? -62.62 -48.83 77.68 Favored 'General case' 0 C--N 1.328 -0.36 0 O-C-N 122.151 -0.343 . . . . 25.0 111.611 -179.476 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -64.25 -39.64 94.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 122.101 -0.374 . . . . 25.0 110.672 -178.078 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 91.5 t80 -64.94 -43.65 92.06 Favored 'General case' 0 C--O 1.223 -0.304 0 CA-C-N 116.286 -0.416 . . . . 25.0 111.204 177.52 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.08 -38.21 90.25 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 120.117 -0.633 . . . . 25.0 110.643 -179.566 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.95 -26.68 67.69 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 110.213 -0.291 . . . . 25.0 110.213 179.081 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -78.28 -27.55 47.43 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.051 0.453 . . . . 25.0 111.945 178.343 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 96.4 mm-40 -90.17 -45.37 9.15 Favored 'General case' 0 C--O 1.214 -0.788 0 CA-C-N 115.907 -0.588 . . . . 25.0 110.527 -175.605 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 26.3 m-85 -121.7 69.26 24.57 Favored Pre-proline 0 N--CA 1.473 0.676 0 CA-C-N 116.12 -0.491 . . . . 25.0 110.021 179.621 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -68.15 138.86 44.69 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 117.236 -1.376 . . . . 25.0 112.725 -176.292 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 82.17 -15.68 26.76 Favored Glycine 0 CA--C 1.522 0.513 0 N-CA-C 115.292 0.877 . . . . 25.0 115.292 -178.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -105.46 86.62 2.44 Favored 'General case' 0 N--CA 1.475 0.824 0 CA-C-N 117.881 0.84 . . . . 25.0 112.545 -175.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 70.4 t80 -53.64 -46.67 70.62 Favored 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 113.111 0.782 . . . . 25.0 113.111 -178.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -59.52 -45.26 92.26 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 112.756 0.65 . . . . 25.0 112.756 -179.322 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 97.8 mm-40 -70.01 -35.96 74.76 Favored 'General case' 0 C--N 1.319 -0.748 0 O-C-N 121.967 -0.458 . . . . 25.0 111.106 -178.379 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 -58.77 -37.8 77.09 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.364 -0.606 . . . . 25.0 109.364 174.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 57.2 mm-40 -74.01 -35.92 64.44 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 121.182 -0.207 . . . . 25.0 110.799 -176.05 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 77.4 mt -63.0 -43.7 99.24 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 N-CA-C 109.735 -0.469 . . . . 25.0 109.735 176.028 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 24.7 tp -63.73 -49.55 72.63 Favored 'General case' 0 C--O 1.214 -0.77 0 CA-C-N 116.359 -0.382 . . . . 25.0 110.179 179.115 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 64.4 mt -56.63 -39.68 64.46 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 O-C-N 122.344 -0.222 . . . . 25.0 110.833 179.506 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 6.9 tmm_? -60.13 -43.26 95.82 Favored 'General case' 0 N--CA 1.466 0.371 0 O-C-N 121.551 -0.718 . . . . 25.0 110.231 176.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -66.44 -39.27 88.79 Favored 'General case' 0 N--CA 1.467 0.394 0 O-C-N 121.967 -0.458 . . . . 25.0 111.929 178.502 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 86.9 mt -62.47 -39.74 94.38 Favored 'General case' 0 C--O 1.214 -0.786 0 CA-C-N 117.615 0.189 . . . . 25.0 110.592 177.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -66.88 -36.13 81.61 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 122.096 0.158 . . . . 25.0 110.818 179.005 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.1 tm-20 -68.14 -44.92 74.96 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.701 -0.481 . . . . 25.0 109.701 178.123 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -63.87 -40.33 96.31 Favored 'General case' 0 C--O 1.242 0.67 0 CA-C-O 121.005 0.431 . . . . 25.0 110.668 178.353 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 81.8 t60 -64.79 -38.04 89.63 Favored 'General case' 0 CA--C 1.516 -0.354 0 CA-C-N 116.025 -0.534 . . . . 25.0 110.216 178.617 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 45.8 t80 -60.84 -40.7 93.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 121.974 -0.454 . . . . 25.0 110.757 178.544 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -63.57 -46.22 86.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.996 0.427 . . . . 25.0 109.979 178.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -62.85 -40.37 97.26 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-O 120.682 0.277 . . . . 25.0 110.893 179.216 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 61.3 t80 -63.96 -44.32 93.11 Favored 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 122.823 0.449 . . . . 25.0 111.297 178.051 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.3 -38.47 87.8 Favored 'General case' 0 C--O 1.215 -0.736 0 C-N-CA 121.101 -0.24 . . . . 25.0 110.873 179.186 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -63.94 -43.22 96.53 Favored 'General case' 0 C--O 1.215 -0.731 0 N-CA-C 109.875 -0.417 . . . . 25.0 109.875 177.004 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 23.1 tt0 -62.1 -43.23 99.28 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 121.624 -0.672 . . . . 25.0 109.648 179.618 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 68.3 mt -63.7 -30.03 71.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 122.128 -0.357 . . . . 25.0 111.859 178.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -67.42 -33.63 75.57 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-O 121.167 0.508 . . . . 25.0 111.314 176.099 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -74.53 -31.64 62.21 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 121.573 -0.705 . . . . 25.0 110.313 175.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 78.2 t -67.63 -40.9 84.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 N-CA-C 108.563 -0.903 . . . . 25.0 108.563 175.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 3.9 mm-40 -57.19 -48.57 78.43 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.17 0.51 . . . . 25.0 109.664 177.514 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 77.0 mt -65.12 -33.78 76.83 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 116.089 -0.505 . . . . 25.0 111.878 178.435 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.6 -42.33 98.71 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.846 -0.428 . . . . 25.0 109.846 179.126 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -63.38 -33.8 76.33 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 120.249 -0.58 . . . . 25.0 110.031 -178.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -69.29 -47.51 64.36 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.964 0.411 . . . . 25.0 111.333 177.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 71.2 mt-30 -64.55 -35.54 81.3 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 112.401 0.519 . . . . 25.0 112.401 -179.341 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.94 -32.64 72.15 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.254 -0.884 . . . . 25.0 111.85 177.718 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -86.37 -27.01 24.51 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 112.299 0.481 . . . . 25.0 112.299 178.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 82.7 mt -83.64 -39.77 19.83 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.618 0.247 . . . . 25.0 110.644 -176.448 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 50.64 30.68 5.07 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 124.005 0.922 . . . . 25.0 113.049 179.196 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 28.5 ttmt -143.66 21.43 1.83 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.157 -0.929 . . . . 25.0 108.647 -178.462 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 91.3 mm-40 -134.84 63.7 1.61 Allowed 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 106.641 -1.614 . . . . 25.0 106.641 -178.395 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 20.5 pt20 . . . . . 0 C--O 1.214 -0.772 0 CA-C-O 123.673 1.701 . . . . 25.0 112.009 -175.54 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.6 mpp? . . . . . 0 N--CA 1.495 1.792 0 CA-C-O 124.813 2.244 . . . . 25.0 111.886 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -99.99 146.37 26.79 Favored 'General case' 0 C--O 1.216 -0.682 0 CA-C-N 113.152 -1.84 . . . . 25.0 111.94 177.637 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 18.2 pt20 -128.1 37.69 4.12 Favored 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 109.548 -0.538 . . . . 25.0 109.548 176.523 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 32.9 mmtp -57.25 -41.25 79.24 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 112.051 0.389 . . . . 25.0 112.051 -175.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -70.73 -26.67 63.49 Favored 'General case' 0 C--N 1.308 -1.223 0 N-CA-C 113.45 0.907 . . . . 25.0 113.45 -176.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -65.47 -36.76 84.83 Favored 'General case' 0 C--N 1.314 -0.961 0 N-CA-C 108.606 -0.887 . . . . 25.0 108.606 177.66 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 51.2 mt -68.86 -39.74 80.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 108.777 -0.823 . . . . 25.0 108.777 -177.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 74.1 mtp -61.64 -42.43 98.89 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 116.262 -0.426 . . . . 25.0 110.071 178.357 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.12 -40.07 92.4 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-O 120.895 0.378 . . . . 25.0 111.761 -178.613 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.89 -43.45 92.86 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.483 -0.326 . . . . 25.0 111.186 -178.656 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 94.4 mt -62.85 -45.14 93.97 Favored 'General case' 0 N--CA 1.48 1.069 0 O-C-N 123.422 0.451 . . . . 25.0 110.133 176.112 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 82.9 m-20 -64.44 -31.56 72.82 Favored 'General case' 0 C--O 1.212 -0.893 0 CA-C-N 115.984 -0.553 . . . . 25.0 112.179 -175.156 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 42.5 m -65.7 -36.48 83.75 Favored 'General case' 0 C--O 1.209 -1.043 0 O-C-N 122.212 -0.305 . . . . 25.0 111.247 177.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 96.6 mm-40 -73.39 -43.0 61.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.336 0.589 . . . . 25.0 110.403 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 82.2 p -93.34 11.62 27.62 Favored 'General case' 0 C--O 1.251 1.172 0 N-CA-C 113.525 0.935 . . . . 25.0 113.525 -172.29 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.99 -66.63 0.36 Allowed 'General case' 0 CA--C 1.545 0.751 0 N-CA-C 114.505 1.298 . . . . 25.0 114.505 -175.589 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.5 p -73.04 -26.14 22.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-O 121.308 0.575 . . . . 25.0 110.246 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -58.98 -50.62 73.41 Favored 'General case' 0 C--O 1.254 1.323 0 N-CA-C 109.249 -0.648 . . . . 25.0 109.249 -179.121 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 13.9 m-30 -73.48 -32.44 64.3 Favored 'General case' 0 C--N 1.315 -0.919 0 C-N-CA 120.583 -0.447 . . . . 25.0 110.293 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 66.3 tt0 -59.73 -43.95 93.97 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 113.327 0.862 . . . . 25.0 113.327 -178.346 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -66.06 -41.69 90.44 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-N 116.423 -0.353 . . . . 25.0 110.447 179.636 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 88.4 t80 -64.9 -43.05 94.13 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-O 121.228 0.537 . . . . 25.0 111.764 177.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.56 -37.64 86.95 Favored 'General case' 0 C--N 1.327 -0.384 0 O-C-N 121.943 -0.473 . . . . 25.0 110.714 179.172 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.87 -23.66 63.3 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-O 121.839 0.828 . . . . 25.0 110.244 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.24 -14.17 58.63 Favored 'General case' 0 C--O 1.21 -1.01 0 O-C-N 121.571 -0.706 . . . . 25.0 111.607 178.208 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 96.6 mm-40 -103.96 -47.11 4.28 Favored 'General case' 0 C--O 1.215 -0.723 0 CA-C-N 115.906 -0.588 . . . . 25.0 110.778 -179.668 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -120.34 70.21 16.07 Favored Pre-proline 0 C--O 1.245 0.862 0 CA-C-O 120.56 0.219 . . . . 25.0 111.356 179.029 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_endo -67.24 145.84 73.73 Favored 'Trans proline' 0 N--CA 1.454 -0.841 0 C-N-CA 116.323 -1.985 . . . . 25.0 113.201 -176.268 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 82.34 -26.83 3.81 Favored Glycine 0 N--CA 1.469 0.864 0 CA-C-N 115.677 -0.692 . . . . 25.0 114.508 179.458 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -99.83 87.55 3.55 Favored 'General case' 0 C--N 1.311 -1.071 0 CA-C-O 121.829 0.823 . . . . 25.0 111.929 -174.342 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 27.3 t80 -53.72 -43.0 68.68 Favored 'General case' 0 C--N 1.313 -1.018 0 CA-C-N 114.91 -1.041 . . . . 25.0 113.316 177.422 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -62.43 -42.84 99.75 Favored 'General case' 0 C--O 1.217 -0.638 0 O-C-N 121.086 -1.009 . . . . 25.0 113.233 179.046 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 96.0 mm-40 -68.24 -38.34 81.71 Favored 'General case' 0 CA--C 1.509 -0.604 0 CA-C-O 122.728 1.251 . . . . 25.0 110.905 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -57.68 -38.91 75.95 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 114.481 -1.236 . . . . 25.0 109.767 177.569 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 94.0 mm-40 -70.67 -37.83 73.71 Favored 'General case' 0 N--CA 1.477 0.905 0 CA-C-O 121.455 0.645 . . . . 25.0 112.073 -178.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 68.7 mt -64.42 -39.81 86.86 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.876 0 N-CA-C 109.024 -0.732 . . . . 25.0 109.024 179.507 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 26.1 tp -65.71 -45.59 82.2 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.246 0.546 . . . . 25.0 112.041 179.568 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 62.3 mt -59.57 -41.99 86.7 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.896 0 CA-C-N 116.155 -0.475 . . . . 25.0 110.769 178.437 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 65.4 ttt-85 -55.44 -38.75 69.42 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-O 120.735 0.302 . . . . 25.0 110.515 177.621 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 36.9 tt0 -72.26 -42.58 65.43 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.244 0.545 . . . . 25.0 110.228 179.661 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 88.8 mt -64.54 -37.28 87.0 Favored 'General case' 0 N--CA 1.477 0.887 0 O-C-N 121.48 -0.762 . . . . 25.0 111.166 -177.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -63.84 -40.39 96.49 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-O 121.007 0.432 . . . . 25.0 110.625 179.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -66.22 -39.58 89.68 Favored 'General case' 0 C--O 1.224 -0.261 0 C-N-CA 120.074 -0.65 . . . . 25.0 110.858 177.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -61.54 -40.77 95.88 Favored 'General case' 0 N--CA 1.481 1.092 0 N-CA-C 109.863 -0.421 . . . . 25.0 109.863 179.039 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -66.73 -38.32 86.43 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 116.234 -0.439 . . . . 25.0 109.876 178.792 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 54.3 t80 -66.61 -39.57 88.43 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.372 0.605 . . . . 25.0 110.728 179.357 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -62.85 -43.36 99.0 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-N 116.254 -0.43 . . . . 25.0 109.843 179.566 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 26.4 tt0 -60.63 -43.02 98.02 Favored 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 108.523 -0.917 . . . . 25.0 108.523 177.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 37.1 t80 -62.21 -46.73 87.59 Favored 'General case' 0 C--O 1.213 -0.849 0 CA-C-O 121.145 0.498 . . . . 25.0 110.242 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.33 -37.45 83.31 Favored 'General case' 0 CA--C 1.538 0.512 0 O-C-N 121.873 -0.517 . . . . 25.0 112.014 -178.598 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 48.2 tt0 -64.87 -37.43 87.61 Favored 'General case' 0 C--N 1.342 0.264 0 O-C-N 121.36 -0.838 . . . . 25.0 111.022 178.444 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 38.4 tt0 -69.74 -42.88 73.34 Favored 'General case' 0 C--O 1.241 0.631 0 N-CA-C 109.052 -0.722 . . . . 25.0 109.052 177.52 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 61.4 mt -62.8 -31.62 72.64 Favored 'General case' 0 C--O 1.202 -1.442 0 N-CA-C 112.376 0.51 . . . . 25.0 112.376 -179.515 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -61.91 -41.67 98.19 Favored 'General case' 0 C--O 1.242 0.704 0 N-CA-C 109.965 -0.383 . . . . 25.0 109.965 176.348 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 71.0 mt-30 -71.57 -37.69 71.01 Favored 'General case' 0 C--N 1.321 -0.67 0 O-C-N 121.844 -0.535 . . . . 25.0 110.42 178.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 81.2 t -63.46 -37.84 80.62 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 CA-C-O 121.647 0.737 . . . . 25.0 110.083 178.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -59.4 -46.85 87.54 Favored 'General case' 0 C--O 1.212 -0.893 0 O-C-N 121.264 -0.898 . . . . 25.0 111.513 175.721 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 96.0 mt -67.26 -31.03 71.09 Favored 'General case' 0 C--O 1.247 0.96 0 O-C-N 121.422 -0.799 . . . . 25.0 111.38 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.03 -43.46 95.5 Favored 'General case' 0 C--N 1.308 -1.216 0 N-CA-C 108.972 -0.751 . . . . 25.0 108.972 176.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 2.4 mm100 -64.99 -37.23 86.97 Favored 'General case' 0 C--O 1.22 -0.467 0 CA-C-N 115.816 -0.629 . . . . 25.0 109.562 178.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -64.45 -46.38 83.4 Favored 'General case' 0 C--O 1.212 -0.92 0 O-C-N 121.659 -0.651 . . . . 25.0 112.448 176.537 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -70.25 -27.34 64.37 Favored 'General case' 0 C--O 1.207 -1.154 0 C-N-CA 119.667 -0.813 . . . . 25.0 110.661 -177.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -66.78 -34.34 77.62 Favored 'General case' 0 CA--C 1.554 1.112 0 CA-C-O 122.091 0.948 . . . . 25.0 110.533 176.497 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -82.74 -31.1 28.59 Favored 'General case' 0 C--O 1.219 -0.524 0 O-C-N 121.646 -0.659 . . . . 25.0 112.517 177.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 66.7 mt -78.65 -32.82 47.46 Favored 'General case' 0 N--CA 1.468 0.469 0 N-CA-C 109.472 -0.566 . . . . 25.0 109.472 179.581 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 32.93 49.98 0.2 Allowed 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 116.368 1.988 . . . . 25.0 116.368 177.199 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 13.5 mmmm -76.8 43.65 0.35 Allowed 'General case' 0 N--CA 1.483 1.203 0 N-CA-C 115.981 1.845 . . . . 25.0 115.981 -177.064 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 47.19 65.15 1.32 Allowed 'General case' 0 N--CA 1.485 1.279 0 CA-C-O 122.73 1.253 . . . . 25.0 113.865 175.31 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 3.3 pm0 . . . . . 0 N--CA 1.484 1.249 0 CA-C-O 124.436 2.065 . . . . 25.0 112.331 175.364 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 55.7 ttm . . . . . 0 N--CA 1.479 0.995 0 CA-C-O 123.591 1.662 . . . . 25.0 114.477 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 26.7 mp0 -87.43 91.57 8.78 Favored 'General case' 0 C--O 1.22 -0.479 0 O-C-N 120.582 -1.324 . . . . 25.0 110.175 178.083 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -112.44 35.04 3.98 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.84 0.828 . . . . 25.0 110.299 178.748 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -55.77 -44.38 77.63 Favored 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 113.631 0.974 . . . . 25.0 113.631 -177.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 57.1 mt-30 -72.71 -23.46 60.86 Favored 'General case' 0 C--O 1.214 -0.786 0 O-C-N 121.745 -0.597 . . . . 25.0 112.519 -176.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -66.43 -36.83 83.79 Favored 'General case' 0 C--O 1.217 -0.656 0 CA-C-N 118.825 0.739 . . . . 25.0 109.31 176.243 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 37.4 mt -66.24 -43.04 91.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 N-CA-C 108.256 -1.016 . . . . 25.0 108.256 179.4 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 62.5 mtp -67.76 -29.16 68.3 Favored 'General case' 0 C--O 1.216 -0.662 0 O-C-N 121.402 -0.812 . . . . 25.0 111.835 179.598 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.43 -38.86 78.05 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.35 -0.611 . . . . 25.0 109.35 177.253 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.57 -43.3 90.2 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.017 -0.538 . . . . 25.0 110.611 178.147 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 92.0 mt -64.77 -33.45 76.01 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-O 121.252 0.549 . . . . 25.0 110.53 177.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -62.76 -40.55 97.61 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.364 -0.38 . . . . 25.0 110.392 179.291 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 38.9 t -66.27 -41.38 89.97 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 110.054 -0.35 . . . . 25.0 110.054 179.515 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -67.51 -27.55 67.09 Favored 'General case' 0 N--CA 1.468 0.432 0 N-CA-C 113.968 1.099 . . . . 25.0 113.968 -178.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 72.1 p -116.47 8.21 13.98 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 113.835 1.05 . . . . 25.0 113.835 -172.58 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -47.83 -72.7 0.05 OUTLIER 'General case' 0 CA--C 1.546 0.8 0 N-CA-C 113.936 1.087 . . . . 25.0 113.936 -173.352 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 8.3 p -74.37 -25.08 19.25 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.356 0 O-C-N 121.834 -0.541 . . . . 25.0 110.458 -178.696 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 43.6 tt0 -59.37 -45.3 91.82 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.278 0.561 . . . . 25.0 110.987 -178.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 14.4 m-30 -86.62 -23.32 25.76 Favored 'General case' 0 C--O 1.214 -0.772 0 CA-C-N 116.055 -0.52 . . . . 25.0 111.114 178.72 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.457 ' HA ' HD11 ' A' ' 38' ' ' ILE . 41.8 tp60 -61.32 -42.79 99.26 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 118.461 0.573 . . . . 25.0 110.218 176.626 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 25.7 mm100 -63.0 -41.68 99.65 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 120.644 -0.422 . . . . 25.0 110.806 178.474 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 55.9 t80 -64.71 -41.2 96.17 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-O 121.634 0.73 . . . . 25.0 110.878 177.48 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.439 ' HA ' HD23 ' A' ' 37' ' ' LEU . . . -65.58 -35.59 81.29 Favored 'General case' 0 C--N 1.317 -0.817 0 O-C-N 121.556 -0.715 . . . . 25.0 111.355 179.769 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.85 -24.18 65.23 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-O 121.196 0.522 . . . . 25.0 110.77 177.459 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 40.4 tt0 -72.54 -16.26 61.77 Favored 'General case' 0 C--O 1.214 -0.767 0 CA-C-O 121.535 0.683 . . . . 25.0 112.115 178.368 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 56.1 mm-40 -108.69 -43.58 4.23 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.551 0.574 . . . . 25.0 112.551 -179.318 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 30.4 m-85 -122.85 68.16 33.11 Favored Pre-proline 0 C--O 1.251 1.149 0 CA-C-N 116.417 -0.356 . . . . 25.0 110.903 -179.426 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -66.64 136.24 41.71 Favored 'Trans proline' 0 C--O 1.217 -0.56 0 C-N-CA 116.386 -1.943 . . . . 25.0 112.804 -176.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 82.29 -15.32 29.37 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 115.128 0.811 . . . . 25.0 115.128 -179.024 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 10.1 m120 -102.97 85.66 2.57 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 118.098 0.949 . . . . 25.0 111.071 -177.226 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 41.1 t80 -56.95 -44.06 82.17 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.217 0.451 . . . . 25.0 112.217 -177.669 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -60.89 -45.04 96.17 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 122.043 -0.41 . . . . 25.0 111.363 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.494 ' HA ' HD12 ' A' ' 36' ' ' ILE . 9.8 mm100 -68.0 -37.73 81.79 Favored 'General case' 0 C--O 1.245 0.831 0 O-C-N 121.683 -0.636 . . . . 25.0 109.61 -179.205 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 -58.05 -37.56 74.64 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.916 -0.584 . . . . 25.0 109.869 176.019 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 92.9 mm-40 -72.62 -36.62 68.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 121.65 -0.656 . . . . 25.0 111.554 -178.35 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.494 HD12 ' HA ' ' A' ' 33' ' ' GLN . 71.5 mt -60.9 -42.69 93.66 Favored 'Isoleucine or valine' 0 C--O 1.243 0.754 0 N-CA-C 108.536 -0.913 . . . . 25.0 108.536 176.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.439 HD23 ' HA ' ' A' ' 23' ' ' ALA . 28.2 tp -67.05 -47.6 70.84 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.801 -0.636 . . . . 25.0 112.26 -178.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.457 HD11 ' HA ' ' A' ' 20' ' ' GLN . 58.5 mt -56.88 -40.51 72.16 Favored 'Isoleucine or valine' 0 C--O 1.244 0.772 0 C-N-CA 122.483 0.313 . . . . 25.0 111.634 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 72.0 mtt85 -59.48 -38.65 81.37 Favored 'General case' 0 N--CA 1.483 1.219 0 O-C-N 121.359 -0.838 . . . . 25.0 112.093 177.043 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -65.26 -43.03 92.58 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-O 121.354 0.597 . . . . 25.0 111.162 179.133 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 63.6 mt -63.05 -42.43 99.7 Favored 'General case' 0 N--CA 1.478 0.937 0 CA-C-O 121.479 0.657 . . . . 25.0 110.479 -178.793 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -67.64 -41.3 84.11 Favored 'General case' 0 N--CA 1.443 -0.785 0 CA-C-N 115.112 -0.949 . . . . 25.0 110.376 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -66.78 -44.57 80.96 Favored 'General case' 0 CA--C 1.541 0.612 0 O-C-N 121.96 -0.463 . . . . 25.0 111.339 -179.166 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 10.9 mm100 -57.07 -39.88 75.83 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.342 0.591 . . . . 25.0 109.7 178.433 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 3.4 t-80 -83.57 -16.04 46.88 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 113.572 0.953 . . . . 25.0 113.572 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 76.3 t80 -72.76 -33.88 66.62 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 108.161 -1.051 . . . . 25.0 108.161 175.557 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 65.7 mt-30 -59.68 -46.4 89.17 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 108.872 -0.788 . . . . 25.0 108.872 176.137 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 23.6 tt0 -63.82 -40.41 96.55 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-O 121.506 0.67 . . . . 25.0 110.441 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 32.5 t80 -61.61 -40.0 93.28 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-O 121.313 0.577 . . . . 25.0 110.733 178.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.91 -38.24 76.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 122.004 -0.435 . . . . 25.0 111.406 178.135 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 -63.39 -39.39 94.39 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 110.015 -0.365 . . . . 25.0 110.015 178.363 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 40.1 tt0 -67.26 -42.98 83.0 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.333 -0.618 . . . . 25.0 109.333 178.011 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 30.5 mt -65.43 -28.75 69.46 Favored 'General case' 0 C--O 1.22 -0.459 0 N-CA-C 112.461 0.541 . . . . 25.0 112.461 -178.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -62.39 -39.25 92.6 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-O 121.48 0.657 . . . . 25.0 109.792 176.751 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 63.6 mt-30 -72.75 -33.45 66.37 Favored 'General case' 0 C--O 1.218 -0.579 0 CA-C-N 116.252 -0.431 . . . . 25.0 109.856 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 97.7 t -67.19 -38.86 81.88 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.35 0 N-CA-C 109.268 -0.641 . . . . 25.0 109.268 178.257 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -62.96 -45.24 93.4 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-O 121.524 0.678 . . . . 25.0 109.922 177.123 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 32.8 mt -63.73 -33.58 75.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.321 -0.399 . . . . 25.0 111.421 178.432 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.98 -40.54 93.83 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.603 0.716 . . . . 25.0 110.431 176.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 82.2 mt-30 -70.58 -34.65 72.42 Favored 'General case' 0 N--CA 1.435 -1.194 0 CA-C-N 115.792 -0.64 . . . . 25.0 110.364 179.037 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -65.65 -45.63 82.24 Favored 'General case' 0 C--O 1.211 -0.921 0 O-C-N 121.885 -0.51 . . . . 25.0 110.173 178.191 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 18.3 pt20 -69.74 -26.17 64.19 Favored 'General case' 0 C--O 1.22 -0.466 0 CA-C-N 119.021 0.828 . . . . 25.0 111.339 -176.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.83 -38.05 89.69 Favored 'General case' 0 N--CA 1.446 -0.675 0 N-CA-C 109.341 -0.615 . . . . 25.0 109.341 177.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -81.17 -40.17 24.35 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-O 121.433 0.635 . . . . 25.0 111.784 179.104 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 68.6 mt -71.2 -40.03 71.42 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 116.278 -0.419 . . . . 25.0 111.104 -175.058 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 39.04 38.82 0.33 Allowed 'General case' 0 N--CA 1.479 0.991 0 N-CA-C 115.136 1.532 . . . . 25.0 115.136 179.067 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -79.31 39.4 0.39 Allowed 'General case' 0 N--CA 1.479 1.023 0 N-CA-C 113.698 0.999 . . . . 25.0 113.698 -177.043 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -86.4 60.51 6.27 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 123.696 1.712 . . . . 25.0 108.833 177.69 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 . . . . . 0 N--CA 1.481 1.124 0 CA-C-O 123.841 1.782 . . . . 25.0 112.482 -176.54 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 61.3 mtt . . . . . 0 N--CA 1.496 1.842 0 CA-C-O 125.614 2.626 . . . . 25.0 111.824 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 26.6 mp0 -76.43 -5.1 45.88 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 113.377 -1.738 . . . . 25.0 110.254 179.749 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -59.21 -23.83 62.61 Favored 'General case' 0 N--CA 1.481 1.125 0 CA-C-O 121.291 0.567 . . . . 25.0 111.944 176.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 35.1 ttpt -45.49 -35.11 3.61 Favored 'General case' 0 CA--C 1.539 0.554 0 N-CA-C 113.87 1.063 . . . . 25.0 113.87 169.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.3 pp0? -62.28 -28.69 69.89 Favored 'General case' 0 C--O 1.21 -0.993 0 O-C-N 121.786 -0.571 . . . . 25.0 112.488 -177.621 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 91.1 mt-30 -64.72 -40.56 95.54 Favored 'General case' 0 CA--C 1.514 -0.412 0 CA-C-O 121.895 0.855 . . . . 25.0 109.327 179.036 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 31.3 mt -72.41 -42.72 64.69 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.719 0 N-CA-C 108.592 -0.892 . . . . 25.0 108.592 -178.112 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 73.3 mtp -64.13 -35.93 82.38 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.566 -0.454 . . . . 25.0 111.524 -179.657 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.78 -40.84 88.33 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.159 0.505 . . . . 25.0 109.792 177.121 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.7 -46.43 88.16 Favored 'General case' 0 CA--C 1.538 0.514 0 N-CA-C 109.682 -0.488 . . . . 25.0 109.682 177.758 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 91.9 mt -66.65 -30.77 71.12 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.958 -0.297 . . . . 25.0 110.617 -179.747 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -59.63 -45.24 92.56 Favored 'General case' 0 C--O 1.221 -0.421 0 CA-C-O 121.418 0.628 . . . . 25.0 109.805 176.257 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 43.5 t -66.52 -42.95 86.51 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.699 -0.682 . . . . 25.0 111.573 -179.051 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 87.3 mm-40 -65.6 -38.15 88.64 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 112.523 0.564 . . . . 25.0 112.523 -179.191 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 69.7 p -99.36 4.28 46.29 Favored 'General case' 0 N--CA 1.471 0.581 0 N-CA-C 114.201 1.186 . . . . 25.0 114.201 -173.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -47.73 -73.53 0.04 OUTLIER 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 114.713 1.375 . . . . 25.0 114.713 -174.722 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.9 p -70.28 -27.65 32.71 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.694 0 CA-C-O 121.368 0.604 . . . . 25.0 110.746 -178.605 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 45.1 tt0 -60.85 -45.96 92.47 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.519 0.676 . . . . 25.0 111.566 -178.164 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 12.6 m-30 -84.85 -21.2 29.9 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 116.152 -0.476 . . . . 25.0 110.584 -178.743 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.502 ' HA ' HD11 ' A' ' 38' ' ' ILE . 50.5 tt0 -62.57 -47.39 84.05 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 111.96 0.355 . . . . 25.0 111.96 178.672 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -66.62 -36.17 81.94 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.782 -0.451 . . . . 25.0 109.782 -178.058 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 84.0 t80 -66.52 -41.97 88.0 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 120.4 -0.52 . . . . 25.0 111.545 175.488 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.67 -38.13 89.13 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.297 0.57 . . . . 25.0 109.961 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.82 -25.59 66.52 Favored 'General case' 0 C--O 1.213 -0.833 0 CA-C-N 116.065 -0.516 . . . . 25.0 111.841 178.636 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -76.5 -18.06 58.94 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 116.204 -0.453 . . . . 25.0 111.991 178.231 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 95.4 mm-40 -103.29 -46.37 4.62 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.498 0.666 . . . . 25.0 111.739 -178.177 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 21.7 m-30 -119.13 66.69 8.27 Favored Pre-proline 0 CA--C 1.55 0.957 0 CA-C-N 115.511 -0.768 . . . . 25.0 110.809 179.087 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -65.43 140.32 63.01 Favored 'Trans proline' 0 C--N 1.353 0.798 0 C-N-CA 117.168 -1.421 . . . . 25.0 112.83 -177.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 83.82 -17.69 24.98 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 114.463 0.545 . . . . 25.0 114.463 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 11.3 m120 -103.88 80.11 1.72 Allowed 'General case' 0 CA--C 1.503 -0.841 0 CA-C-N 118.244 1.022 . . . . 25.0 110.775 -175.782 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 65.1 t80 -53.66 -44.19 69.46 Favored 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 112.857 0.688 . . . . 25.0 112.857 -178.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -60.41 -45.22 94.37 Favored 'General case' 0 CA--C 1.546 0.812 0 O-C-N 122.062 -0.398 . . . . 25.0 111.597 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 87.7 mm-40 -71.53 -34.22 69.86 Favored 'General case' 0 CA--C 1.5 -0.948 0 C-N-CA 121.028 -0.269 . . . . 25.0 111.076 -178.704 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 66.6 mt-30 -58.5 -36.98 74.64 Favored 'General case' 0 N--CA 1.441 -0.913 0 O-C-N 123.4 0.437 . . . . 25.0 110.166 175.058 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -74.34 -38.65 63.2 Favored 'General case' 0 N--CA 1.476 0.833 0 O-C-N 122.115 -0.366 . . . . 25.0 110.55 -176.726 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 67.1 mt -62.42 -42.24 94.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 N-CA-C 109.138 -0.689 . . . . 25.0 109.138 176.492 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 46.2 tp -63.82 -47.29 81.41 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.942 -0.572 . . . . 25.0 111.159 178.639 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.502 HD11 ' HA ' ' A' ' 20' ' ' GLN . 50.0 mt -57.81 -38.62 66.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 111.746 0.276 . . . . 25.0 111.746 178.127 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -59.13 -42.79 91.44 Favored 'General case' 0 N--CA 1.474 0.757 0 O-C-N 121.709 -0.62 . . . . 25.0 109.729 175.562 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 -64.85 -43.35 93.31 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 120.773 0.32 . . . . 25.0 110.884 179.055 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 79.1 mt -63.41 -38.03 89.55 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.779 0.323 . . . . 25.0 110.361 -178.604 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -68.66 -37.39 79.61 Favored 'General case' 0 C--N 1.329 -0.321 0 O-C-N 122.198 -0.314 . . . . 25.0 111.101 178.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -67.83 -39.82 83.82 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 120.57 -0.452 . . . . 25.0 110.381 178.116 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -65.77 -42.32 90.96 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-O 121.261 0.553 . . . . 25.0 109.526 175.165 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 64.5 t60 -61.64 -30.07 70.47 Favored 'General case' 0 CA--C 1.538 0.489 0 O-C-N 122.077 -0.389 . . . . 25.0 111.908 177.32 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 59.6 t80 -66.64 -34.91 78.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 121.882 -0.511 . . . . 25.0 110.848 177.135 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 82.4 mt-30 -64.24 -40.81 96.8 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 121.387 -0.821 . . . . 25.0 109.933 177.062 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 40.7 tt0 -62.68 -42.24 99.52 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 109.566 -0.531 . . . . 25.0 109.566 176.461 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 14.1 t80 -62.42 -39.13 92.32 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.183 0.516 . . . . 25.0 110.612 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.48 -39.91 81.16 Favored 'General case' 0 C--N 1.331 -0.218 0 O-C-N 121.126 -0.984 . . . . 25.0 111.264 179.037 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 48.3 tt0 -65.19 -36.95 85.8 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-O 121.019 0.438 . . . . 25.0 109.837 179.202 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 56.8 tt0 -65.35 -43.55 90.5 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.335 -0.393 . . . . 25.0 110.164 176.187 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 28.0 mt -64.51 -28.86 69.94 Favored 'General case' 0 C--O 1.222 -0.35 0 N-CA-C 112.401 0.519 . . . . 25.0 112.401 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -65.15 -36.87 85.6 Favored 'General case' 0 C--O 1.241 0.607 0 O-C-N 121.991 -0.443 . . . . 25.0 110.644 175.706 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 82.0 mt-30 -71.8 -35.69 70.05 Favored 'General case' 0 C--O 1.212 -0.908 0 CA-C-O 121.293 0.568 . . . . 25.0 110.0 178.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 90.8 t -65.78 -39.46 84.86 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 CA-C-N 115.723 -0.671 . . . . 25.0 110.47 176.392 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 2.5 mm100 -58.1 -49.1 78.12 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.858 0.361 . . . . 25.0 110.053 174.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 61.4 mt -62.56 -38.47 90.18 Favored 'General case' 0 C--N 1.322 -0.594 0 O-C-N 122.106 -0.371 . . . . 25.0 111.833 -178.698 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.73 -40.99 89.91 Favored 'General case' 0 C--O 1.221 -0.423 0 CA-C-O 121.083 0.468 . . . . 25.0 110.978 179.725 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 65.0 mt-30 -75.0 -37.87 61.72 Favored 'General case' 0 N--CA 1.443 -0.801 0 C-N-CA 120.402 -0.519 . . . . 25.0 111.059 178.157 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 1.5 mm100 -61.65 -44.53 96.79 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.884 -0.144 . . . . 25.0 111.312 -179.691 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 20.1 pt20 -66.46 -30.49 70.84 Favored 'General case' 0 C--O 1.221 -0.418 0 O-C-N 121.567 -0.708 . . . . 25.0 111.367 179.337 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -71.47 -39.01 71.18 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 120.464 -0.495 . . . . 25.0 110.191 178.112 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -70.5 -36.92 74.07 Favored 'General case' 0 C--O 1.219 -0.506 0 CA-C-O 121.28 0.562 . . . . 25.0 110.22 -178.451 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 69.3 mt -79.3 -36.75 39.18 Favored 'General case' 0 C--O 1.216 -0.667 0 CA-C-N 116.372 -0.376 . . . . 25.0 111.746 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 35.6 37.81 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.488 0 N-CA-C 116.393 1.997 . . . . 25.0 116.393 -177.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 19.1 ptpt -81.91 2.26 31.37 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 115.254 -0.885 . . . . 25.0 112.761 -178.624 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 29.6 mm100 -99.73 52.8 0.92 Allowed 'General case' 0 C--N 1.318 -0.795 0 CA-C-O 121.48 0.657 . . . . 25.0 109.694 178.583 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 10.6 tm0? . . . . . 0 C--O 1.209 -1.033 0 CA-C-O 123.524 1.63 . . . . 25.0 112.479 -178.966 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.8 ptp . . . . . 0 N--CA 1.508 2.466 0 CA-C-O 123.419 1.58 . . . . 25.0 112.8 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 72.32 133.01 0.04 OUTLIER 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 128.468 2.707 . . . . 25.0 112.843 -178.701 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -124.68 28.91 6.39 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 107.763 -1.199 . . . . 25.0 107.763 177.414 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.404 ' HA ' HD12 ' A' ' 7' ' ' ILE . 96.9 mttt -58.79 -39.02 79.88 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.71 -0.677 . . . . 25.0 112.167 -178.552 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 30.3 pt20 -70.13 -24.14 63.14 Favored 'General case' 0 C--O 1.216 -0.685 0 N-CA-C 112.45 0.537 . . . . 25.0 112.45 -179.031 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -71.69 -33.33 68.71 Favored 'General case' 0 C--O 1.219 -0.51 0 O-C-N 121.841 -0.537 . . . . 25.0 110.002 178.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.404 HD12 ' HA ' ' A' ' 4' ' ' LYS . 40.8 mt -66.61 -43.0 90.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 107.264 -1.384 . . . . 25.0 107.264 177.047 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 80.9 mmm -63.27 -35.97 82.13 Favored 'General case' 0 C--O 1.211 -0.974 0 CA-C-N 116.068 -0.514 . . . . 25.0 112.059 177.552 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.46 -39.5 92.09 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-O 121.283 0.563 . . . . 25.0 110.682 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.35 -46.77 72.44 Favored 'General case' 0 C--O 1.235 0.312 0 N-CA-C 109.48 -0.563 . . . . 25.0 109.48 177.452 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 51.2 mt -61.16 -40.66 94.68 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.41 -0.814 . . . . 25.0 111.144 -179.462 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -59.26 -45.45 91.17 Favored 'General case' 0 C--O 1.219 -0.52 0 O-C-N 121.804 -0.56 . . . . 25.0 110.754 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 38.0 m -68.35 -45.96 71.43 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 112.06 0.392 . . . . 25.0 112.06 -178.405 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 16.3 pt20 -74.21 -14.15 60.9 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 113.243 0.831 . . . . 25.0 113.243 -173.741 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 81.0 p -113.2 0.52 14.92 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.249 0.463 . . . . 25.0 112.249 178.608 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -51.8 -68.05 0.2 Allowed 'General case' 0 C--O 1.215 -0.744 0 N-CA-C 113.388 0.884 . . . . 25.0 113.388 -174.095 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.5 p -69.64 -27.71 34.72 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.809 0 CA-C-O 121.255 0.55 . . . . 25.0 111.247 -177.481 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -68.95 -44.89 72.08 Favored 'General case' 0 C--O 1.222 -0.392 0 O-C-N 121.565 -0.709 . . . . 25.0 111.119 -177.396 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 15.0 m-30 -78.8 -21.5 47.7 Favored 'General case' 0 C--O 1.211 -0.922 0 O-C-N 121.51 -0.744 . . . . 25.0 109.936 177.562 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.417 ' HA ' HD11 ' A' ' 38' ' ' ILE . 27.9 tt0 -61.8 -44.11 97.52 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 118.355 0.525 . . . . 25.0 110.165 177.145 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -64.12 -36.99 85.85 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.338 0.59 . . . . 25.0 111.092 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 79.2 t80 -68.48 -43.13 77.6 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 121.956 -0.465 . . . . 25.0 111.114 176.194 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.01 -35.46 80.3 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.908 0.385 . . . . 25.0 111.387 -178.322 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.97 -25.36 65.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.034 -0.53 . . . . 25.0 111.093 179.587 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -74.61 -26.91 60.22 Favored 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 122.629 0.371 . . . . 25.0 110.782 178.021 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -93.84 -47.07 6.92 Favored 'General case' 0 C--O 1.214 -0.771 0 CA-C-N 116.158 -0.474 . . . . 25.0 111.888 -176.2 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -121.58 67.96 21.27 Favored Pre-proline 0 C--N 1.326 -0.449 0 CA-C-N 115.902 -0.59 . . . . 25.0 110.444 -178.628 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -67.53 139.45 49.0 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 115.41 -2.593 . . . . 25.0 112.51 -176.596 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 82.12 -24.05 4.93 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 114.851 0.7 . . . . 25.0 114.851 -179.406 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -95.49 85.16 4.13 Favored 'General case' 0 CA--C 1.512 -0.483 0 CA-C-N 117.993 0.897 . . . . 25.0 109.966 -176.756 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 11.1 t80 -54.56 -43.26 71.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.292 -0.867 . . . . 25.0 111.805 -179.092 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -60.37 -46.77 88.76 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 112.059 0.392 . . . . 25.0 112.059 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 95.8 mm-40 -70.12 -35.01 73.79 Favored 'General case' 0 C--N 1.321 -0.643 0 O-C-N 121.935 -0.478 . . . . 25.0 110.922 -179.168 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 59.6 mt-30 -57.7 -39.29 76.84 Favored 'General case' 0 C--N 1.315 -0.898 0 N-CA-C 109.568 -0.53 . . . . 25.0 109.568 175.108 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 96.6 mm-40 -72.17 -39.57 68.58 Favored 'General case' 0 N--CA 1.481 1.099 0 O-C-N 121.666 -0.646 . . . . 25.0 110.036 -177.359 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 78.6 mt -62.21 -42.94 97.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 N-CA-C 109.075 -0.713 . . . . 25.0 109.075 178.582 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 33.8 tp -62.56 -51.72 66.27 Favored 'General case' 0 C--O 1.209 -1.059 0 N-CA-C 109.886 -0.412 . . . . 25.0 109.886 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.417 HD11 ' HA ' ' A' ' 20' ' ' GLN . 58.5 mt -56.44 -40.69 69.08 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 CA-C-O 121.002 0.429 . . . . 25.0 111.536 179.627 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 70.5 ttt-85 -61.88 -39.72 92.89 Favored 'General case' 0 C--N 1.321 -0.635 0 O-C-N 122.213 -0.304 . . . . 25.0 110.63 179.098 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -71.99 -39.79 69.03 Favored 'General case' 0 CA--C 1.536 0.436 0 N-CA-C 111.492 0.182 . . . . 25.0 111.492 176.413 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 93.0 mt -60.75 -42.22 96.98 Favored 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 109.537 -0.542 . . . . 25.0 109.537 179.56 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -66.01 -35.17 79.83 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 119.533 -0.27 . . . . 25.0 110.931 179.393 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 82.9 tt0 -70.23 -43.1 71.33 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 117.907 0.322 . . . . 25.0 111.837 179.23 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -66.63 -39.11 88.13 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.883 0.849 . . . . 25.0 109.519 178.734 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 44.1 t-80 -65.42 -31.19 72.16 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.97 -0.559 . . . . 25.0 110.647 176.121 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 41.6 t80 -61.45 -37.77 84.76 Favored 'General case' 0 N--CA 1.472 0.65 0 O-C-N 121.98 -0.45 . . . . 25.0 110.887 179.723 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 80.2 mt-30 -62.6 -43.33 99.09 Favored 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 109.782 -0.451 . . . . 25.0 109.782 179.078 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 11.6 tm0? -66.25 -42.08 89.05 Favored 'General case' 0 C--O 1.222 -0.365 0 N-CA-C 109.862 -0.421 . . . . 25.0 109.862 178.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 23.3 t80 -60.43 -43.27 96.94 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.061 -0.518 . . . . 25.0 109.8 -179.457 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.14 -40.96 91.01 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 116.794 -0.184 . . . . 25.0 111.432 177.58 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -63.25 -41.85 99.11 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.982 -0.377 . . . . 25.0 109.982 178.585 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 55.5 tp60 -66.54 -43.1 86.03 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 121.867 -0.521 . . . . 25.0 110.083 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 35.1 mt -63.44 -30.06 71.25 Favored 'General case' 0 C--O 1.22 -0.499 0 CA-C-O 120.459 0.171 . . . . 25.0 111.411 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -66.68 -38.01 85.92 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.664 -0.244 . . . . 25.0 110.591 177.046 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 73.0 mt-30 -71.22 -33.98 70.39 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.431 0.634 . . . . 25.0 109.811 177.033 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 79.3 t -68.43 -36.55 75.3 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.433 0 N-CA-C 109.574 -0.528 . . . . 25.0 109.574 178.207 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -61.15 -46.24 91.35 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 120.874 0.368 . . . . 25.0 110.088 173.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 47.1 mt -65.62 -32.81 74.58 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.445 0.535 . . . . 25.0 112.445 178.781 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.64 -41.11 94.29 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.594 -0.521 . . . . 25.0 109.594 176.316 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 71.9 mt-30 -73.18 -33.82 65.64 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-O 121.334 0.587 . . . . 25.0 110.411 178.784 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 5.3 mm-40 -66.25 -43.75 85.64 Favored 'General case' 0 C--O 1.222 -0.354 0 O-C-N 121.832 -0.543 . . . . 25.0 111.206 179.408 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 18.0 pt20 -69.67 -26.64 64.49 Favored 'General case' 0 C--O 1.221 -0.418 0 C-N-CA 120.161 -0.616 . . . . 25.0 110.436 179.719 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -70.89 -34.76 71.9 Favored 'General case' 0 C--O 1.222 -0.385 0 CA-C-O 121.079 0.466 . . . . 25.0 110.193 175.832 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -73.38 -39.64 64.96 Favored 'General case' 0 C--N 1.328 -0.363 0 O-C-N 121.966 -0.458 . . . . 25.0 109.966 179.135 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 86.3 mt -67.13 -39.78 86.68 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.483 -0.781 . . . . 25.0 110.991 178.235 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 37.69 38.75 0.17 Allowed 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 125.385 1.474 . . . . 25.0 114.334 -179.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 32.1 tttt -107.01 33.3 4.04 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.419 -0.81 . . . . 25.0 111.625 -175.646 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -84.28 67.78 9.93 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 122.736 1.255 . . . . 25.0 107.718 176.54 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 . . . . . 0 C--O 1.209 -1.064 0 CA-C-O 123.817 1.77 . . . . 25.0 113.21 -172.049 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 57.1 ttm . . . . . 0 C--O 1.199 -1.559 0 CA-C-O 122.795 1.284 . . . . 25.0 111.938 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 57.25 17.9 3.92 Favored 'General case' 0 C--N 1.355 0.815 0 C-N-CA 125.583 1.553 . . . . 25.0 113.423 178.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -68.64 -1.45 6.9 Favored 'General case' 0 N--CA 1.48 1.034 0 CA-C-O 122.013 0.911 . . . . 25.0 112.397 -179.4 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 26.1 mtmm -55.77 -35.03 65.79 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.533 -0.758 . . . . 25.0 111.363 173.693 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 25.2 pt20 -69.98 -23.96 63.24 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 112.872 0.693 . . . . 25.0 112.872 -178.773 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -68.43 -35.7 78.01 Favored 'General case' 0 CA--C 1.511 -0.529 0 N-CA-C 109.16 -0.681 . . . . 25.0 109.16 179.359 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 24.8 mt -65.38 -39.57 85.66 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.502 0 N-CA-C 108.43 -0.952 . . . . 25.0 108.43 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 93.4 mmm -62.12 -44.22 97.13 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 122.07 -0.394 . . . . 25.0 110.603 177.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.65 -35.28 80.51 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-O 120.754 0.311 . . . . 25.0 111.179 178.749 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.11 -40.97 78.0 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.921 0.391 . . . . 25.0 110.213 178.325 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 54.4 mt -65.38 -33.7 76.57 Favored 'General case' 0 C--O 1.217 -0.657 0 O-C-N 121.991 -0.443 . . . . 25.0 110.988 -178.455 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -59.8 -37.81 80.18 Favored 'General case' 0 C--O 1.215 -0.727 0 CA-C-O 121.252 0.548 . . . . 25.0 110.798 177.647 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 36.9 t -75.21 -42.43 55.58 Favored 'General case' 0 C--O 1.22 -0.454 0 O-C-N 121.69 -0.632 . . . . 25.0 112.317 175.748 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 60.7 mt-30 -64.62 -40.94 96.37 Favored 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 114.334 1.235 . . . . 25.0 114.334 -175.691 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 81.6 p -102.62 6.32 39.65 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-N 115.871 -0.604 . . . . 25.0 111.9 -173.438 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -43.04 -69.03 0.15 Allowed 'General case' 0 C--O 1.242 0.67 0 N-CA-C 114.708 1.373 . . . . 25.0 114.708 -174.746 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.9 p -74.63 -28.02 21.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 121.79 -0.569 . . . . 25.0 111.607 -174.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -58.98 -48.21 82.37 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.886 -0.413 . . . . 25.0 109.886 179.626 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 19.1 m-30 -80.46 -29.48 37.48 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 120.895 -0.322 . . . . 25.0 110.967 179.603 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.483 ' HA ' HD11 ' A' ' 38' ' ' ILE . 15.8 tt0 -62.93 -43.17 99.52 Favored 'General case' 0 C--O 1.221 -0.431 0 O-C-N 121.788 -0.57 . . . . 25.0 112.493 -179.444 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -65.56 -39.11 91.31 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 120.61 -0.436 . . . . 25.0 110.534 -179.633 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 54.9 t80 -67.25 -39.99 86.23 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.872 0.368 . . . . 25.0 111.023 177.146 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.41 ' HA ' HD23 ' A' ' 37' ' ' LEU . . . -64.87 -36.49 84.51 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.673 0.273 . . . . 25.0 110.748 179.061 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.29 -29.81 66.66 Favored 'General case' 0 C--O 1.205 -1.282 0 CA-C-N 116.607 -0.269 . . . . 25.0 110.48 179.217 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -70.12 -31.48 69.05 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.226 0.536 . . . . 25.0 110.208 178.261 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 9.2 mm100 -87.82 -46.88 9.05 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 115.858 -0.61 . . . . 25.0 111.394 -175.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -122.17 68.92 28.48 Favored Pre-proline 0 C--O 1.242 0.669 0 CA-C-N 116.378 -0.374 . . . . 25.0 110.43 -178.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -68.7 140.07 45.84 Favored 'Trans proline' 0 C--O 1.216 -0.608 0 C-N-CA 116.484 -1.877 . . . . 25.0 113.048 -178.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 86.0 -22.2 12.98 Favored Glycine 0 C--O 1.216 -1.009 0 CA-C-N 115.393 -0.821 . . . . 25.0 115.09 -178.227 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -103.99 85.24 2.37 Favored 'General case' 0 CA--C 1.507 -0.703 0 CA-C-N 118.518 1.159 . . . . 25.0 111.818 -175.198 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 39.5 t80 -51.15 -43.87 61.3 Favored 'General case' 0 C--O 1.218 -0.565 0 C-N-CA 122.459 0.304 . . . . 25.0 111.153 179.085 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 19.1 pt-20 -61.2 -43.31 99.08 Favored 'General case' 0 C--O 1.213 -0.847 0 N-CA-C 113.242 0.83 . . . . 25.0 113.242 -178.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 87.8 mm-40 -71.51 -35.35 70.71 Favored 'General case' 0 CA--C 1.507 -0.677 0 N-CA-C 109.728 -0.471 . . . . 25.0 109.728 -179.01 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 64.6 mt-30 -58.63 -37.83 76.74 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.06 -1.089 . . . . 25.0 108.06 176.544 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 76.1 mm-40 -73.57 -36.91 65.64 Favored 'General case' 0 N--CA 1.47 0.565 0 O-C-N 121.529 -0.732 . . . . 25.0 111.289 -175.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 75.3 mt -62.12 -43.93 98.39 Favored 'Isoleucine or valine' 0 C--O 1.238 0.5 0 N-CA-C 108.701 -0.852 . . . . 25.0 108.701 177.664 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.41 HD23 ' HA ' ' A' ' 23' ' ' ALA . 40.7 tp -64.47 -48.96 73.26 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.552 -0.459 . . . . 25.0 110.81 -179.786 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.483 HD11 ' HA ' ' A' ' 20' ' ' GLN . 83.5 mt -58.92 -38.25 72.12 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.598 0 N-CA-C 111.914 0.338 . . . . 25.0 111.914 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 61.9 mtp180 -57.33 -43.58 83.47 Favored 'General case' 0 C--N 1.327 -0.381 0 O-C-N 121.739 -0.601 . . . . 25.0 110.565 178.212 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 82.7 mt-30 -77.21 -30.47 54.72 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 112.229 0.455 . . . . 25.0 112.229 -178.332 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 91.3 mt -64.21 -41.33 97.09 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.637 0.732 . . . . 25.0 109.082 177.115 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 21.4 mt-30 -69.39 -37.29 77.45 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.985 -0.552 . . . . 25.0 110.193 179.576 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 48.8 tt0 -61.92 -45.11 95.12 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.819 0.818 . . . . 25.0 109.853 178.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 14.4 tp60 -65.68 -38.04 88.15 Favored 'General case' 0 C--N 1.321 -0.662 0 O-C-N 121.292 -0.88 . . . . 25.0 112.173 -179.347 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 60.4 t60 -65.61 -26.38 67.8 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.222 0.534 . . . . 25.0 112.054 -178.69 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 19.6 t80 -60.12 -32.54 71.11 Favored 'General case' 0 C--O 1.243 0.757 0 N-CA-C 113.089 0.774 . . . . 25.0 113.089 179.334 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 -61.45 -40.23 93.72 Favored 'General case' 0 N--CA 1.478 0.956 0 CA-C-N 116.537 -0.301 . . . . 25.0 110.509 -179.573 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -71.61 -36.39 70.78 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.986 0.422 . . . . 25.0 110.263 -178.468 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 18.1 t80 -60.87 -41.11 95.31 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.302 0.572 . . . . 25.0 109.706 176.498 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.7 -41.27 79.38 Favored 'General case' 0 C--N 1.322 -0.603 0 O-C-N 121.865 -0.522 . . . . 25.0 111.093 179.744 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 40.6 tt0 -61.71 -40.0 93.49 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.221 -0.445 . . . . 25.0 110.686 177.627 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -62.07 -46.6 88.41 Favored 'General case' 0 N--CA 1.466 0.333 0 N-CA-C 109.583 -0.525 . . . . 25.0 109.583 179.006 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 57.4 mt -60.17 -32.97 71.56 Favored 'General case' 0 N--CA 1.474 0.725 0 N-CA-C 112.795 0.665 . . . . 25.0 112.795 -178.231 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -64.92 -38.29 90.47 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 120.629 -0.428 . . . . 25.0 110.551 177.551 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 68.1 mt-30 -75.29 -32.27 60.96 Favored 'General case' 0 C--N 1.323 -0.578 0 O-C-N 121.709 -0.619 . . . . 25.0 109.703 -179.641 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 74.5 t -65.09 -37.3 79.86 Favored 'Isoleucine or valine' 0 C--O 1.245 0.83 0 N-CA-C 109.866 -0.42 . . . . 25.0 109.866 175.597 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -64.56 -43.89 92.47 Favored 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 120.419 -0.513 . . . . 25.0 110.305 178.036 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 84.6 mt -65.33 -35.33 80.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 123.266 0.354 . . . . 25.0 110.418 178.137 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.18 -42.18 98.11 Favored 'General case' 0 N--CA 1.47 0.528 0 O-C-N 122.027 -0.42 . . . . 25.0 110.342 178.682 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -68.93 -34.93 76.17 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 120.489 -0.484 . . . . 25.0 110.27 179.067 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -65.44 -46.73 78.74 Favored 'General case' 0 C--O 1.219 -0.511 0 O-C-N 121.868 -0.52 . . . . 25.0 110.907 179.626 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 15.3 pt20 -69.06 -29.02 67.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 121.561 -0.712 . . . . 25.0 111.392 -178.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.12 -30.56 71.5 Favored 'General case' 0 C--O 1.214 -0.807 0 N-CA-C 112.682 0.623 . . . . 25.0 112.682 175.339 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -89.29 -27.6 20.44 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.677 0.751 . . . . 25.0 111.659 178.272 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 32.9 mt -80.06 -43.27 22.14 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 122.007 -0.433 . . . . 25.0 110.3 -175.758 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 44.35 43.16 5.88 Favored 'General case' 0 CA--C 1.55 0.962 0 N-CA-C 113.503 0.927 . . . . 25.0 113.503 -179.288 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 13.3 mptt -81.41 31.68 0.34 Allowed 'General case' 0 N--CA 1.478 0.951 0 N-CA-C 114.589 1.329 . . . . 25.0 114.589 -173.655 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 97.6 mm-40 -125.09 76.49 1.54 Allowed 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 106.95 -1.5 . . . . 25.0 106.95 175.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.21 -1.014 0 CA-C-O 125.525 2.583 . . . . 25.0 111.007 -176.662 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.199 -1.595 0 CA-C-O 122.748 1.261 . . . . 25.0 114.158 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 41.9 tt0 -90.67 -37.09 13.98 Favored 'General case' 0 C--O 1.239 0.517 0 N-CA-C 107.895 -1.15 . . . . 25.0 107.895 177.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -135.84 145.31 46.28 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.111 0.412 . . . . 25.0 112.111 -178.231 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 58.3 mtmt -63.26 -23.38 67.39 Favored 'General case' 0 C--N 1.313 -0.984 0 N-CA-C 111.862 0.319 . . . . 25.0 111.862 177.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -62.8 -26.41 68.72 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 112.76 0.652 . . . . 25.0 112.76 177.024 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -67.18 -38.6 85.68 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.093 -0.706 . . . . 25.0 109.093 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 38.4 mt -69.17 -43.34 81.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 108.322 -0.992 . . . . 25.0 108.322 179.642 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 66.5 mmm -60.64 -42.06 96.16 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 116.222 -0.445 . . . . 25.0 111.822 179.465 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.59 -40.33 95.34 Favored 'General case' 0 C--O 1.242 0.703 0 CA-C-O 121.511 0.672 . . . . 25.0 110.879 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.85 -45.9 80.47 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 115.87 -0.605 . . . . 25.0 110.837 -179.486 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 74.7 mt -62.67 -41.37 99.05 Favored 'General case' 0 C--O 1.232 0.148 0 C-N-CA 120.787 -0.365 . . . . 25.0 110.267 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 6.0 m-80 -61.38 -36.08 79.25 Favored 'General case' 0 CA--C 1.511 -0.557 0 CA-C-O 121.087 0.47 . . . . 25.0 109.858 -179.582 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 21.6 m -68.76 -45.0 72.53 Favored 'General case' 0 C--O 1.208 -1.08 0 CA-C-O 121.565 0.698 . . . . 25.0 112.248 177.465 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 31.0 mm100 -66.69 -25.15 66.41 Favored 'General case' 0 C--O 1.235 0.313 0 N-CA-C 113.513 0.931 . . . . 25.0 113.513 -175.319 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 56.0 p -118.96 10.94 12.37 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 113.121 0.785 . . . . 25.0 113.121 -174.342 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.51 -66.21 0.42 Allowed 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 113.146 0.795 . . . . 25.0 113.146 -177.026 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 10.9 p -70.79 -28.55 34.34 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.765 0 CA-C-O 121.996 0.903 . . . . 25.0 109.961 -176.711 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 39.9 tt0 -61.14 -45.42 94.71 Favored 'General case' 0 C--O 1.218 -0.589 0 CA-C-O 121.885 0.85 . . . . 25.0 111.109 -178.443 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 19.0 m-30 -78.3 -26.03 46.82 Favored 'General case' 0 CA--C 1.504 -0.795 0 CA-C-N 115.794 -0.639 . . . . 25.0 110.981 177.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 44.5 tt0 -64.21 -41.09 97.19 Favored 'General case' 0 N--CA 1.472 0.631 0 O-C-N 121.305 -0.872 . . . . 25.0 110.34 178.123 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 82.9 mt-30 -63.95 -41.14 97.68 Favored 'General case' 0 C--O 1.241 0.655 0 CA-C-N 116.27 -0.423 . . . . 25.0 110.779 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 57.2 t80 -67.22 -41.64 85.38 Favored 'General case' 0 C--O 1.208 -1.097 0 CA-C-O 121.691 0.758 . . . . 25.0 110.49 177.353 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.59 -41.28 97.2 Favored 'General case' 0 C--N 1.344 0.336 0 CA-C-N 115.867 -0.606 . . . . 25.0 109.453 -178.529 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.44 -30.22 69.05 Favored 'General case' 0 C--O 1.207 -1.149 0 CA-C-O 121.102 0.477 . . . . 25.0 110.768 -179.777 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -69.45 -26.36 64.55 Favored 'General case' 0 C--N 1.311 -1.089 0 CA-C-N 116.262 -0.426 . . . . 25.0 110.891 179.113 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 28.4 mm100 -95.49 -41.93 8.71 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 113.398 0.888 . . . . 25.0 113.398 -176.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 24.6 m-85 -122.89 68.39 34.09 Favored Pre-proline 0 C--O 1.253 1.27 0 CA-C-O 121.688 0.756 . . . . 25.0 111.299 179.749 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_endo -71.07 138.27 33.35 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 115.91 -2.26 . . . . 25.0 113.231 -177.491 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 82.95 -9.35 60.38 Favored Glycine 0 N--CA 1.463 0.461 0 O-C-N 121.942 -0.474 . . . . 25.0 114.268 -178.347 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -114.16 81.41 1.53 Allowed 'General case' 0 C--O 1.227 -0.112 0 O-C-N 121.784 -0.833 . . . . 25.0 111.71 -176.549 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 11.1 t80 -54.19 -39.64 66.82 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.721 -0.672 . . . . 25.0 111.651 179.689 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -60.27 -45.98 91.41 Favored 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 112.437 0.532 . . . . 25.0 112.437 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -73.64 -32.49 64.06 Favored 'General case' 0 CA--C 1.503 -0.833 0 O-C-N 121.755 -0.591 . . . . 25.0 111.39 -177.652 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 66.6 mt-30 -60.18 -38.66 83.91 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.61 -0.723 . . . . 25.0 110.755 173.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 93.0 mm-40 -72.2 -36.92 69.32 Favored 'General case' 0 C--N 1.32 -0.695 0 O-C-N 122.07 -0.394 . . . . 25.0 110.755 -178.3 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 65.1 mt -66.17 -46.32 87.86 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.427 0 N-CA-C 109.988 -0.375 . . . . 25.0 109.988 178.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 19.7 tp -55.98 -46.53 78.65 Favored 'General case' 0 C--O 1.244 0.792 0 N-CA-C 113.204 0.816 . . . . 25.0 113.204 -177.059 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 68.1 mt -56.63 -35.21 44.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 C-N-CA 122.907 0.483 . . . . 25.0 111.346 -178.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 89.5 mtt180 -60.68 -44.71 96.18 Favored 'General case' 0 N--CA 1.471 0.581 0 O-C-N 121.456 -0.777 . . . . 25.0 111.338 178.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.5 mp0 -66.94 -39.08 87.21 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.943 -0.571 . . . . 25.0 111.546 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 92.0 mt -59.75 -50.09 75.19 Favored 'General case' 0 C--N 1.312 -1.042 0 CA-C-O 121.276 0.56 . . . . 25.0 110.206 177.684 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 45.8 mm-40 -61.44 -42.21 98.39 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.438 -0.347 . . . . 25.0 111.68 -176.623 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 63.5 tt0 -65.26 -45.42 84.6 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 109.512 -0.551 . . . . 25.0 109.512 -178.108 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 40.5 tt0 -64.77 -41.07 96.14 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-O 121.601 0.715 . . . . 25.0 112.229 -179.505 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 50.8 m-70 -66.9 -21.6 65.99 Favored 'General case' 0 C--O 1.241 0.647 0 O-C-N 121.245 -0.909 . . . . 25.0 112.533 -176.81 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 41.5 t80 -60.88 -32.38 71.83 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-O 122.178 0.99 . . . . 25.0 112.839 173.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -61.89 -42.58 99.24 Favored 'General case' 0 N--CA 1.482 1.156 0 O-C-N 121.773 -0.58 . . . . 25.0 109.805 -179.454 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 40.6 tt0 -68.36 -36.65 79.54 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.98 -0.555 . . . . 25.0 110.461 -179.602 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 20.9 t80 -62.73 -36.55 83.36 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.94 0.4 . . . . 25.0 111.644 178.237 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.04 -43.43 92.38 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 120.182 -0.607 . . . . 25.0 110.421 176.29 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -61.97 -37.82 86.2 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-O 121.549 0.69 . . . . 25.0 110.654 177.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 60.8 tt0 -68.12 -44.37 76.31 Favored 'General case' 0 CA--C 1.513 -0.459 0 O-C-N 121.844 -0.535 . . . . 25.0 110.866 178.562 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 29.2 mt -58.77 -34.18 71.14 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 120.429 -0.508 . . . . 25.0 112.061 -178.616 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -59.19 -43.3 92.21 Favored 'General case' 0 CA--C 1.55 0.978 0 O-C-N 122.167 -0.333 . . . . 25.0 110.363 176.73 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 64.8 mt-30 -71.47 -33.06 68.98 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 120.24 -0.584 . . . . 25.0 111.531 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 92.5 t -65.17 -40.13 87.78 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 CA-C-O 121.475 0.655 . . . . 25.0 109.955 176.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -60.9 -45.1 95.96 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 121.773 -0.579 . . . . 25.0 110.726 177.355 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 40.9 mt -65.89 -34.53 78.34 Favored 'General case' 0 C--N 1.31 -1.112 0 CA-C-O 120.672 0.272 . . . . 25.0 111.158 179.75 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.52 -36.85 85.53 Favored 'General case' 0 C--O 1.219 -0.507 0 O-C-N 121.749 -0.595 . . . . 25.0 110.487 179.253 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -72.53 -26.69 61.85 Favored 'General case' 0 N--CA 1.442 -0.865 0 O-C-N 122.055 -0.403 . . . . 25.0 111.97 176.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -68.56 -38.19 80.55 Favored 'General case' 0 C--O 1.208 -1.087 0 N-CA-C 108.555 -0.906 . . . . 25.0 108.555 172.458 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 15.3 mm-40 -66.19 -37.22 85.09 Favored 'General case' 0 C--N 1.318 -0.772 0 O-C-N 121.697 -0.627 . . . . 25.0 109.702 177.277 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -62.67 -32.71 73.82 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 122.382 0.273 . . . . 25.0 111.504 179.312 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -76.32 -33.17 59.03 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 116.431 -0.35 . . . . 25.0 111.381 177.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 78.0 mt -81.62 -38.49 25.92 Favored 'General case' 0 C--O 1.217 -0.609 0 N-CA-C 112.557 0.577 . . . . 25.0 112.557 -175.585 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 90.6 mm-40 52.42 39.9 28.5 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 124.581 1.152 . . . . 25.0 111.184 -175.497 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 19.9 tttt -131.55 17.0 4.85 Favored 'General case' 0 N--CA 1.48 1.074 0 N-CA-C 117.63 2.456 . . . . 25.0 117.63 -173.355 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -78.33 51.49 1.03 Allowed 'General case' 0 C--N 1.315 -0.918 0 CA-C-O 122.718 1.247 . . . . 25.0 112.981 177.731 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 28.9 pt20 . . . . . 0 C--O 1.213 -0.846 0 CA-C-O 123.85 1.786 . . . . 25.0 113.772 -176.122 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.6 mpp? . . . . . 0 N--CA 1.472 0.67 0 CA-C-O 124.064 1.888 . . . . 25.0 112.377 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.1 pm0 -91.52 158.77 16.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 113.948 -1.478 . . . . 25.0 110.351 -177.107 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 54.88 18.03 2.03 Favored 'General case' 0 N--CA 1.479 0.99 0 N-CA-C 116.147 1.906 . . . . 25.0 116.147 176.217 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 56.1 mtmt -56.67 -35.55 68.57 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 114.292 1.219 . . . . 25.0 114.292 179.232 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 92.2 mt-30 -69.44 -24.46 63.82 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 112.094 0.405 . . . . 25.0 112.094 179.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 67.5 mm-40 -66.65 -39.33 88.19 Favored 'General case' 0 N--CA 1.466 0.374 0 N-CA-C 108.042 -1.096 . . . . 25.0 108.042 176.794 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 57.5 mt -67.77 -41.27 85.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 108.959 -0.756 . . . . 25.0 108.959 -179.779 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 87.7 mtp -63.63 -32.62 74.16 Favored 'General case' 0 C--N 1.321 -0.632 0 O-C-N 121.645 -0.66 . . . . 25.0 112.101 178.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.17 -38.86 78.92 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.784 0.326 . . . . 25.0 110.143 178.017 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.1 -42.02 85.27 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-O 120.889 0.376 . . . . 25.0 110.199 178.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 73.2 mt -63.06 -37.49 87.42 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-N 116.045 -0.525 . . . . 25.0 109.751 177.697 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -59.32 -38.46 80.33 Favored 'General case' 0 C--O 1.216 -0.692 0 C-N-CA 121.141 -0.224 . . . . 25.0 111.315 179.062 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 46.4 t -68.9 -44.92 72.23 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.347 0.594 . . . . 25.0 110.73 -179.708 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 94.4 mm-40 -65.66 -28.94 69.46 Favored 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 113.922 1.082 . . . . 25.0 113.922 -178.727 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 69.6 p -110.56 6.25 21.77 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 113.576 0.954 . . . . 25.0 113.576 -174.179 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.28 -72.5 0.05 Allowed 'General case' 0 C--O 1.219 -0.503 0 N-CA-C 113.096 0.776 . . . . 25.0 113.096 -174.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.0 p -69.74 -25.92 29.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 121.195 0.521 . . . . 25.0 109.821 -176.665 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 15.9 tt0 -59.88 -50.63 73.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.903 -0.589 . . . . 25.0 110.48 -179.604 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 19.5 m-30 -85.7 -20.82 28.8 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.191 -0.459 . . . . 25.0 111.077 -178.066 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 60.4 tt0 -61.64 -48.61 80.1 Favored 'General case' 0 N--CA 1.473 0.691 0 O-C-N 121.684 -0.635 . . . . 25.0 112.024 178.406 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 96.2 mm-40 -67.44 -34.91 78.19 Favored 'General case' 0 N--CA 1.451 -0.383 0 N-CA-C 109.349 -0.611 . . . . 25.0 109.349 -177.277 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 64.1 t80 -66.29 -43.02 87.54 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 121.735 -0.603 . . . . 25.0 111.109 175.357 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.3 -37.86 88.98 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 121.948 -0.47 . . . . 25.0 110.531 -177.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.44 -28.23 68.44 Favored 'General case' 0 C--O 1.216 -0.658 0 CA-C-N 116.699 -0.228 . . . . 25.0 110.643 177.05 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 21.1 tt0 -73.11 -20.54 60.91 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.179 -0.464 . . . . 25.0 111.418 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 97.8 mm-40 -100.32 -49.19 4.33 Favored 'General case' 0 N--CA 1.475 0.818 0 CA-C-N 116.12 -0.491 . . . . 25.0 111.116 -178.512 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 18.9 m-85 -119.62 69.9 12.56 Favored Pre-proline 0 C--O 1.247 0.95 0 CA-C-O 121.05 0.452 . . . . 25.0 110.875 -178.045 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 69.0 Cg_endo -70.08 141.84 44.97 Favored 'Trans proline' 0 C--O 1.212 -0.791 0 C-N-CA 116.393 -1.938 . . . . 25.0 112.862 -178.38 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 81.32 -9.47 54.37 Favored Glycine 0 CA--C 1.526 0.75 0 N-CA-C 114.931 0.733 . . . . 25.0 114.931 -179.01 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -111.35 83.49 1.78 Allowed 'General case' 0 CA--C 1.512 -0.518 0 O-C-N 121.695 -0.885 . . . . 25.0 110.866 -175.508 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 59.0 t80 -54.05 -47.52 71.55 Favored 'General case' 0 N--CA 1.466 0.327 0 N-CA-C 112.048 0.388 . . . . 25.0 112.048 -178.54 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -58.12 -44.87 87.96 Favored 'General case' 0 C--O 1.247 0.923 0 O-C-N 121.807 -0.558 . . . . 25.0 111.947 -176.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 91.1 mt-30 -69.98 -36.95 75.59 Favored 'General case' 0 CA--C 1.503 -0.861 0 CA-C-N 116.334 -0.394 . . . . 25.0 111.048 -177.269 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 70.5 mt-30 -59.37 -37.26 77.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.967 -0.561 . . . . 25.0 110.303 177.632 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 28.5 mm-40 -70.59 -39.68 73.71 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.254 0.549 . . . . 25.0 109.937 -176.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 77.0 mt -62.25 -43.36 97.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.326 -0.397 . . . . 25.0 109.99 177.735 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 36.8 tp -63.21 -45.96 89.24 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.089 -0.505 . . . . 25.0 111.059 -177.696 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 64.1 mt -59.03 -40.65 81.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.463 -0.335 . . . . 25.0 111.515 178.185 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 35.6 mtp180 -62.23 -42.77 99.61 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 120.265 -0.574 . . . . 25.0 109.645 178.798 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 62.0 tt0 -59.97 -42.43 94.11 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-O 121.032 0.444 . . . . 25.0 110.486 179.051 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 51.1 mt -64.23 -42.92 96.34 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.35 -0.386 . . . . 25.0 110.101 179.677 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -71.31 -39.1 71.66 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 113.26 0.837 . . . . 25.0 113.26 -178.445 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -68.53 -38.32 80.75 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.844 0.354 . . . . 25.0 110.797 179.576 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 19.5 mm100 -66.04 -42.96 88.86 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-O 121.072 0.463 . . . . 25.0 110.251 172.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 25.1 t60 -62.87 -28.22 69.89 Favored 'General case' 0 C--N 1.328 -0.36 0 O-C-N 122.128 -0.357 . . . . 25.0 110.88 179.31 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 59.9 t80 -58.12 -42.7 86.36 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 121.784 -0.573 . . . . 25.0 110.956 -179.417 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 93.0 mm-40 -66.28 -41.81 89.3 Favored 'General case' 0 C--O 1.251 1.18 0 N-CA-C 109.502 -0.555 . . . . 25.0 109.502 -179.405 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 37.7 tt0 -62.26 -41.91 98.86 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 121.081 0.467 . . . . 25.0 110.76 178.699 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 56.7 t80 -66.53 -38.98 88.32 Favored 'General case' 0 C--O 1.217 -0.611 0 CA-C-N 116.141 -0.481 . . . . 25.0 111.753 179.495 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.59 -37.21 86.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 121.996 -0.44 . . . . 25.0 110.902 178.549 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 40.7 tt0 -71.1 -40.59 71.42 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.774 -0.37 . . . . 25.0 110.144 176.531 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 60.1 tt0 -59.28 -43.83 92.5 Favored 'General case' 0 C--N 1.32 -0.678 0 O-C-N 122.538 -0.101 . . . . 25.0 110.895 179.562 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 65.2 mt -58.53 -31.88 68.35 Favored 'General case' 0 CA--C 1.538 0.514 0 N-CA-C 113.076 0.769 . . . . 25.0 113.076 -179.337 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -69.34 -38.32 78.11 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.038 0.446 . . . . 25.0 111.465 176.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -70.37 -36.89 74.41 Favored 'General case' 0 C--O 1.21 -1.022 0 N-CA-C 109.256 -0.646 . . . . 25.0 109.256 178.706 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 76.5 t -67.55 -39.79 83.05 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 O-C-N 122.125 -0.36 . . . . 25.0 110.078 177.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.3 mm-40 -57.59 -52.51 65.12 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.28 0.562 . . . . 25.0 110.49 177.151 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.3 pp -70.04 -29.11 66.07 Favored 'General case' 0 C--N 1.329 -0.291 0 O-C-N 122.162 -0.336 . . . . 25.0 111.531 -177.023 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.18 -41.52 88.64 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.176 0.512 . . . . 25.0 110.408 178.452 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 63.4 mt-30 -65.97 -35.16 79.84 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.569 -0.453 . . . . 25.0 110.248 -178.429 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 73.8 mm-40 -66.06 -50.81 62.83 Favored 'General case' 0 CA--C 1.514 -0.433 0 CA-C-O 121.229 0.537 . . . . 25.0 110.088 -179.496 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 16.5 pt20 -67.68 -27.61 66.98 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 113.041 0.756 . . . . 25.0 113.041 -177.239 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.57 -34.42 78.22 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.893 0.378 . . . . 25.0 111.116 178.332 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -87.05 -23.09 25.07 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.313 -0.403 . . . . 25.0 111.63 -179.52 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 57.1 mt -90.46 -48.54 7.04 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.273 0.472 . . . . 25.0 112.273 -176.085 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 50.26 24.92 1.62 Allowed 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 123.808 0.843 . . . . 25.0 113.099 -177.682 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 24.7 ttpt -95.37 39.19 1.12 Allowed 'General case' 0 CA--C 1.535 0.401 0 O-C-N 121.415 -0.803 . . . . 25.0 112.718 -174.337 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -85.61 58.81 5.25 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-O 122.798 1.285 . . . . 25.0 110.841 179.076 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 25.7 pt20 . . . . . 0 C--O 1.209 -1.063 0 CA-C-O 123.535 1.636 . . . . 25.0 111.609 -177.968 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.7 ttt . . . . . 0 N--CA 1.483 1.221 0 CA-C-O 124.663 2.173 . . . . 25.0 113.144 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 32.0 tt0 -128.78 159.31 36.1 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 113.694 -1.593 . . . . 25.0 110.051 -178.404 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 22.9 tt0 59.68 22.73 11.5 Favored 'General case' 0 N--CA 1.483 1.188 0 CA-C-O 122.75 1.262 . . . . 25.0 114.206 -178.548 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 25.7 mtpp -81.5 -31.72 32.74 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 115.15 1.537 . . . . 25.0 115.15 -178.435 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 65.7 mt-30 -65.71 -24.42 66.98 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 113.82 1.044 . . . . 25.0 113.82 -176.153 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 -61.21 -42.61 98.89 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.963 0.887 . . . . 25.0 109.179 177.689 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 28.7 mt -70.52 -40.21 77.08 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.492 0 CA-C-N 115.062 -0.972 . . . . 25.0 109.141 -178.514 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 87.3 mtp -59.28 -52.93 63.52 Favored 'General case' 0 C--O 1.22 -0.485 0 CA-C-N 116.372 -0.376 . . . . 25.0 110.533 179.136 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.33 -39.23 86.31 Favored 'General case' 0 C--N 1.322 -0.616 0 O-C-N 123.279 0.362 . . . . 25.0 111.365 -178.029 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.56 -44.82 96.34 Favored 'General case' 0 C--N 1.322 -0.618 0 C-N-CA 120.394 -0.522 . . . . 25.0 110.154 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 91.9 mt -71.29 -41.1 70.39 Favored 'General case' 0 C--O 1.22 -0.449 0 CA-C-O 120.707 0.289 . . . . 25.0 111.161 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 11.8 m120 -63.9 -31.33 72.47 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 116.67 -0.241 . . . . 25.0 111.569 -175.61 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 50.8 m -63.65 -34.56 78.11 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.229 0.538 . . . . 25.0 110.334 -179.402 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 11.5 mm100 -74.76 -20.6 59.75 Favored 'General case' 0 N--CA 1.468 0.433 0 N-CA-C 112.606 0.595 . . . . 25.0 112.606 -179.616 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 66.8 p -114.2 3.27 15.11 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 113.67 0.989 . . . . 25.0 113.67 -174.665 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -54.35 -63.58 1.11 Allowed 'General case' 0 C--O 1.246 0.907 0 N-CA-C 112.939 0.718 . . . . 25.0 112.939 -173.744 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.9 p -72.03 -24.8 22.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 121.425 0.631 . . . . 25.0 111.324 -177.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -61.16 -47.43 86.21 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.737 0.78 . . . . 25.0 110.36 177.81 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 -69.06 -32.15 71.42 Favored 'General case' 0 N--CA 1.439 -1.006 0 CA-C-N 115.951 -0.568 . . . . 25.0 111.419 176.64 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.467 ' HA ' HD11 ' A' ' 38' ' ' ILE . 40.6 tt0 -64.11 -39.16 93.45 Favored 'General case' 0 CA--C 1.533 0.293 0 O-C-N 122.135 -0.353 . . . . 25.0 111.319 -179.249 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 81.5 mt-30 -64.73 -44.39 90.33 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.794 -0.184 . . . . 25.0 110.544 176.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 91.1 t80 -65.41 -39.91 92.73 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.233 0.539 . . . . 25.0 110.876 178.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.37 -35.36 78.92 Favored 'General case' 0 C--N 1.322 -0.605 0 O-C-N 121.525 -0.734 . . . . 25.0 111.17 179.642 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.33 -28.12 67.71 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 122.105 -0.372 . . . . 25.0 111.625 177.394 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 26.3 tt0 -76.2 -26.06 55.78 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 121.371 0.605 . . . . 25.0 110.831 179.137 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 80.6 mm-40 -90.42 -49.2 6.65 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.579 -0.737 . . . . 25.0 112.46 -177.105 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -122.71 71.87 40.56 Favored Pre-proline 0 C--N 1.331 -0.228 0 CA-C-N 115.882 -0.599 . . . . 25.0 110.248 -177.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_endo -70.55 135.59 28.92 Favored 'Trans proline' 0 CA--C 1.532 0.388 0 C-N-CA 116.58 -1.813 . . . . 25.0 112.945 -178.181 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 83.53 -10.94 57.97 Favored Glycine 0 CA--C 1.528 0.893 0 N-CA-C 115.099 0.799 . . . . 25.0 115.099 -178.64 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 21.7 m120 -108.27 86.86 2.37 Favored 'General case' 0 C--O 1.223 -0.291 0 CA-C-N 117.839 0.819 . . . . 25.0 110.617 -178.262 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 71.6 t80 -55.98 -46.67 78.59 Favored 'General case' 0 C--O 1.21 -1.0 0 N-CA-C 112.887 0.699 . . . . 25.0 112.887 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -60.5 -44.11 96.32 Favored 'General case' 0 CA--C 1.541 0.617 0 O-C-N 121.403 -0.811 . . . . 25.0 111.338 -178.512 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -70.22 -34.77 73.3 Favored 'General case' 0 CA--C 1.507 -0.691 0 O-C-N 121.805 -0.559 . . . . 25.0 110.543 -176.734 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 73.0 mt-30 -60.04 -38.19 82.03 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 108.845 -0.798 . . . . 25.0 108.845 174.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 76.4 mm-40 -72.09 -38.74 69.31 Favored 'General case' 0 C--O 1.24 0.602 0 N-CA-C 109.283 -0.636 . . . . 25.0 109.283 -174.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 82.1 mt -62.28 -43.11 97.65 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.255 0 N-CA-C 108.528 -0.915 . . . . 25.0 108.528 -179.735 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 51.5 tp -63.21 -48.74 77.03 Favored 'General case' 0 C--O 1.215 -0.712 0 C-N-CA 120.75 -0.38 . . . . 25.0 111.248 179.024 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.467 HD11 ' HA ' ' A' ' 20' ' ' GLN . 67.2 mt -56.79 -37.34 53.01 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 O-C-N 122.024 -0.423 . . . . 25.0 111.656 179.737 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 34.6 mmt180 -61.83 -48.46 80.48 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 121.884 -0.51 . . . . 25.0 109.924 176.758 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 49.3 tt0 -60.18 -43.59 95.74 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.367 -0.379 . . . . 25.0 110.663 -179.067 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 72.1 mt -65.04 -36.98 86.1 Favored 'General case' 0 CA--C 1.544 0.74 0 N-CA-C 112.325 0.491 . . . . 25.0 112.325 -178.699 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -63.99 -42.71 97.1 Favored 'General case' 0 C--N 1.322 -0.627 0 O-C-N 121.919 -0.488 . . . . 25.0 110.192 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 90.2 mt-10 -73.99 -36.74 64.54 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.745 0.307 . . . . 25.0 110.856 179.818 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 42.5 tt0 -60.51 -43.34 97.2 Favored 'General case' 0 C--N 1.319 -0.75 0 O-C-N 121.557 -0.714 . . . . 25.0 111.67 176.213 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 9.1 t-80 -65.21 -31.86 73.24 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.692 0.758 . . . . 25.0 110.344 179.465 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 44.0 t80 -72.19 -40.22 68.06 Favored 'General case' 0 C--N 1.314 -0.937 0 O-C-N 121.864 -0.523 . . . . 25.0 110.993 176.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -61.53 -38.05 85.99 Favored 'General case' 0 C--N 1.327 -0.394 0 O-C-N 121.632 -0.667 . . . . 25.0 111.262 175.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -61.41 -45.35 94.69 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-O 121.454 0.645 . . . . 25.0 110.088 176.658 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 49.4 t80 -63.31 -36.49 83.87 Favored 'General case' 0 CA--C 1.547 0.846 0 O-C-N 121.595 -0.691 . . . . 25.0 110.891 177.719 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.18 -35.11 75.92 Favored 'General case' 0 C--N 1.32 -0.678 0 O-C-N 121.704 -0.623 . . . . 25.0 111.813 178.803 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 16.1 tm0? -69.63 -40.22 76.67 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 108.904 -0.776 . . . . 25.0 108.904 -178.784 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 6.5 tp60 -61.21 -47.85 84.2 Favored 'General case' 0 C--O 1.222 -0.352 0 N-CA-C 109.149 -0.685 . . . . 25.0 109.149 176.234 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 21.4 mt -65.76 -26.72 67.84 Favored 'General case' 0 C--O 1.21 -0.974 0 O-C-N 122.197 -0.314 . . . . 25.0 111.833 -179.01 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -67.14 -37.28 83.55 Favored 'General case' 0 C--N 1.315 -0.932 0 N-CA-C 109.713 -0.477 . . . . 25.0 109.713 177.22 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -72.53 -33.86 67.15 Favored 'General case' 0 C--O 1.238 0.49 0 N-CA-C 109.587 -0.523 . . . . 25.0 109.587 177.274 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 83.4 t -68.8 -36.22 73.21 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 CA-C-O 120.981 0.419 . . . . 25.0 111.231 176.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 10.6 mm-40 -60.35 -47.01 87.87 Favored 'General case' 0 C--O 1.221 -0.418 0 N-CA-C 109.083 -0.71 . . . . 25.0 109.083 175.153 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 67.0 mt -65.29 -33.75 76.73 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.931 -0.577 . . . . 25.0 111.49 178.65 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.93 -43.88 94.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 122.151 -0.343 . . . . 25.0 110.286 178.391 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -67.24 -34.53 77.64 Favored 'General case' 0 N--CA 1.449 -0.522 0 C-N-CA 120.123 -0.631 . . . . 25.0 110.554 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -61.73 -45.72 92.74 Favored 'General case' 0 C--O 1.212 -0.877 0 O-C-N 122.16 -0.338 . . . . 25.0 110.279 175.818 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 15.4 mt-30 -67.18 -34.55 77.77 Favored 'General case' 0 CA--C 1.513 -0.454 0 O-C-N 121.949 -0.469 . . . . 25.0 111.438 179.219 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.89 -30.79 71.81 Favored 'General case' 0 C--O 1.211 -0.957 0 N-CA-C 112.231 0.456 . . . . 25.0 112.231 177.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -80.14 -35.73 36.21 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.107 0.48 . . . . 25.0 110.927 177.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 57.5 mt -74.73 -41.28 60.42 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.089 -0.505 . . . . 25.0 111.505 -176.575 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 48.79 38.85 12.7 Favored 'General case' 0 N--CA 1.476 0.848 0 O-C-N 124.606 1.191 . . . . 25.0 111.247 -176.284 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 29.2 ttmt -118.92 26.78 9.29 Favored 'General case' 0 CA--C 1.514 -0.43 0 CA-C-O 122.392 1.091 . . . . 25.0 110.491 -177.068 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 7.9 tp-100 -118.93 98.2 6.07 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 114.77 -1.104 . . . . 25.0 108.879 -178.326 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 . . . . . 0 CA--C 1.565 1.52 0 CA-C-O 125.797 2.713 . . . . 25.0 114.066 -178.181 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.8 mpt? . . . . . 0 N--CA 1.482 1.16 0 CA-C-O 123.195 1.474 . . . . 25.0 113.549 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 25.7 mp0 -80.75 71.92 7.69 Favored 'General case' 0 C--N 1.351 0.631 0 CA-C-O 122.271 1.034 . . . . 25.0 108.896 179.319 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 95.0 mm-40 -116.82 168.01 10.59 Favored 'General case' 0 N--CA 1.475 0.812 0 O-C-N 120.499 -1.375 . . . . 25.0 111.566 -179.705 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 66.2 mttm 62.71 -44.21 0.19 Allowed 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 116.277 1.954 . . . . 25.0 116.277 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 57.4 mt-30 -67.22 -22.65 65.69 Favored 'General case' 0 C--O 1.212 -0.886 0 N-CA-C 109.41 -0.589 . . . . 25.0 109.41 175.044 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 98.2 mm-40 -61.02 -45.45 94.75 Favored 'General case' 0 C--O 1.207 -1.179 0 CA-C-N 115.658 -0.701 . . . . 25.0 111.566 170.772 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 56.8 mt -65.32 -43.64 94.95 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 N-CA-C 108.603 -0.888 . . . . 25.0 108.603 178.673 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 65.8 mtp -60.33 -38.58 84.2 Favored 'General case' 0 C--O 1.207 -1.157 0 CA-C-O 119.094 -0.479 . . . . 25.0 111.925 177.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.24 -40.79 90.47 Favored 'General case' 0 CA--C 1.512 -0.485 0 CA-C-N 118.313 0.506 . . . . 25.0 110.432 179.715 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.22 -34.27 75.94 Favored 'General case' 0 CA--C 1.555 1.159 0 CA-C-O 121.631 0.729 . . . . 25.0 110.355 179.574 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 57.7 mt -72.52 -43.97 62.83 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.833 -0.621 . . . . 25.0 112.635 178.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 -58.57 -36.59 74.19 Favored 'General case' 0 CA--C 1.506 -0.723 0 N-CA-C 109.585 -0.524 . . . . 25.0 109.585 179.802 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 70.3 m -61.17 -29.06 69.57 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 115.461 -0.79 . . . . 25.0 112.133 -178.172 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -83.06 -27.58 30.17 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.788 0.804 . . . . 25.0 110.583 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 69.1 p -102.22 -8.21 21.5 Favored 'General case' 0 C--O 1.214 -0.789 0 N-CA-C 113.912 1.079 . . . . 25.0 113.912 -170.556 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -49.57 -70.59 0.08 Allowed 'General case' 0 CA--C 1.548 0.887 0 N-CA-C 115.198 1.555 . . . . 25.0 115.198 -173.363 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.3 p -69.4 -23.68 26.74 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.316 0 CA-C-O 121.874 0.845 . . . . 25.0 110.563 -179.707 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 39.2 tt0 -66.26 -49.51 66.9 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-O 121.649 0.737 . . . . 25.0 110.371 -178.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 13.9 m-30 -79.47 -23.01 43.34 Favored 'General case' 0 CA--C 1.51 -0.562 0 CA-C-N 115.806 -0.634 . . . . 25.0 111.451 -177.172 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -60.85 -36.84 80.17 Favored 'General case' 0 C--O 1.239 0.539 0 O-C-N 123.708 0.63 . . . . 25.0 111.825 176.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 -71.42 -36.9 71.47 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.544 -0.723 . . . . 25.0 110.633 -177.07 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 77.0 t80 -69.53 -36.65 76.59 Favored 'General case' 0 C--N 1.329 -0.323 0 O-C-N 123.959 0.787 . . . . 25.0 110.486 173.222 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.54 -36.71 83.33 Favored 'General case' 0 C--O 1.239 0.552 0 C-N-CA 120.126 -0.63 . . . . 25.0 109.597 -179.646 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.38 -20.37 62.15 Favored 'General case' 0 C--O 1.211 -0.93 0 O-C-N 121.727 -0.608 . . . . 25.0 111.22 177.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 16.2 tt0 -79.08 -22.47 45.25 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 120.979 0.419 . . . . 25.0 111.854 178.225 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -97.15 -44.81 6.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.199 -0.909 . . . . 25.0 113.245 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 29.5 m-85 -125.27 71.39 64.06 Favored Pre-proline 0 C--O 1.249 1.048 0 O-C-N 124.41 1.069 . . . . 25.0 111.74 179.16 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_endo -71.43 139.39 34.54 Favored 'Trans proline' 0 C--O 1.194 -1.711 0 C-N-CA 115.195 -2.737 . . . . 25.0 111.402 179.716 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 81.39 0.2 88.72 Favored Glycine 0 N--CA 1.466 0.695 0 C-N-CA 119.927 -1.13 . . . . 25.0 115.614 -179.037 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 27.4 m120 -121.4 87.03 2.68 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 117.997 0.898 . . . . 25.0 111.694 -177.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 48.5 t80 -54.37 -45.2 72.75 Favored 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 112.896 0.702 . . . . 25.0 112.896 177.607 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -61.19 -47.8 84.46 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 118.102 0.41 . . . . 25.0 111.5 -179.599 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 91.4 mm-40 -66.87 -34.58 78.11 Favored 'General case' 0 CA--C 1.513 -0.455 0 CA-C-O 121.784 0.802 . . . . 25.0 111.122 -178.191 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -61.28 -36.08 79.06 Favored 'General case' 0 CA--C 1.505 -0.757 0 N-CA-C 108.943 -0.762 . . . . 25.0 108.943 176.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 93.0 mm-40 -75.54 -35.06 60.77 Favored 'General case' 0 C--O 1.249 1.03 0 C-N-CA 120.207 -0.597 . . . . 25.0 111.135 -176.677 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 86.5 mt -61.3 -47.13 94.88 Favored 'Isoleucine or valine' 0 C--O 1.239 0.551 0 N-CA-C 108.062 -1.088 . . . . 25.0 108.062 179.176 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 24.5 tp -65.15 -47.94 75.28 Favored 'General case' 0 C--O 1.221 -0.435 0 CA-C-N 115.714 -0.675 . . . . 25.0 111.318 -177.017 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 61.0 mt -58.43 -40.63 79.11 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 CA-C-O 120.887 0.375 . . . . 25.0 111.73 -179.266 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 65.3 mtp180 -59.23 -44.92 92.31 Favored 'General case' 0 N--CA 1.476 0.84 0 O-C-N 121.769 -0.582 . . . . 25.0 110.483 178.704 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 30.7 tp60 -62.47 -43.31 99.13 Favored 'General case' 0 N--CA 1.45 -0.47 0 O-C-N 123.229 0.331 . . . . 25.0 111.6 178.796 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 19.3 mt -63.25 -42.02 99.14 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.224 -0.658 . . . . 25.0 109.224 -176.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -66.24 -39.35 89.47 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 121.996 -0.44 . . . . 25.0 112.084 -176.622 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 85.6 mt-10 -68.73 -32.86 72.94 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-O 121.727 0.775 . . . . 25.0 110.217 177.713 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 33.8 tt0 -70.22 -40.67 74.37 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.195 -0.457 . . . . 25.0 110.667 -179.41 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 23.2 m-70 -70.0 -19.56 63.33 Favored 'General case' 0 N--CA 1.478 0.95 0 O-C-N 122.097 -0.377 . . . . 25.0 111.707 177.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 60.8 t80 -58.53 -36.39 73.79 Favored 'General case' 0 C--N 1.313 -1.001 0 C-N-CA 121.091 -0.244 . . . . 25.0 111.434 177.105 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -64.03 -38.91 92.81 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 111.972 0.36 . . . . 25.0 111.972 179.448 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 45.6 tt0 -65.39 -41.35 93.78 Favored 'General case' 0 CA--C 1.512 -0.51 0 CA-C-O 121.612 0.72 . . . . 25.0 109.114 -178.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 40.0 t80 -64.2 -43.22 95.72 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.811 0.815 . . . . 25.0 110.604 178.74 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.25 -40.62 97.95 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.144 -0.935 . . . . 25.0 111.603 -179.856 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 56.6 tt0 -62.07 -41.79 98.53 Favored 'General case' 0 C--N 1.322 -0.609 0 O-C-N 121.878 -0.514 . . . . 25.0 111.428 175.587 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 64.9 tp60 -63.96 -41.02 97.69 Favored 'General case' 0 N--CA 1.451 -0.385 0 N-CA-C 110.014 -0.365 . . . . 25.0 110.014 179.783 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 73.4 mt -63.79 -27.63 69.32 Favored 'General case' 0 C--O 1.211 -0.924 0 N-CA-C 112.625 0.602 . . . . 25.0 112.625 177.605 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -70.55 -37.72 74.07 Favored 'General case' 0 C--N 1.318 -0.782 0 C-N-CA 120.046 -0.662 . . . . 25.0 109.987 177.52 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 50.2 mt-30 -69.06 -37.8 78.71 Favored 'General case' 0 C--N 1.321 -0.667 0 O-C-N 121.466 -0.771 . . . . 25.0 110.297 176.028 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 94.9 t -68.2 -35.57 71.81 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.394 0 CA-C-N 116.439 -0.346 . . . . 25.0 111.041 178.765 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -58.82 -47.25 85.47 Favored 'General case' 0 C--N 1.328 -0.356 0 O-C-N 121.508 -0.745 . . . . 25.0 111.082 172.035 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 86.2 mt -61.74 -37.05 82.78 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 120.696 -0.402 . . . . 25.0 111.848 176.359 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.49 -36.58 78.66 Favored 'General case' 0 C--N 1.32 -0.705 0 O-C-N 121.98 -0.45 . . . . 25.0 111.076 177.112 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 56.6 mt-30 -68.87 -41.56 78.21 Favored 'General case' 0 N--CA 1.472 0.629 0 O-C-N 121.843 -0.535 . . . . 25.0 110.705 176.065 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 36.1 mm-40 -59.49 -43.8 93.22 Favored 'General case' 0 C--O 1.211 -0.958 0 N-CA-C 108.587 -0.894 . . . . 25.0 108.587 -179.534 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 4.8 mm-40 -69.05 -30.45 68.79 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-O 121.203 0.525 . . . . 25.0 112.383 -178.284 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -70.36 -22.63 62.75 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.128 -0.487 . . . . 25.0 110.341 179.298 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -85.14 -23.56 28.36 Favored 'General case' 0 N--CA 1.476 0.83 0 N-CA-C 112.624 0.601 . . . . 25.0 112.624 174.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 83.7 mt -88.3 -39.02 14.7 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 121.759 -0.588 . . . . 25.0 111.754 -178.309 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 52.05 36.44 18.79 Favored 'General case' 0 C--O 1.207 -1.134 0 N-CA-C 115.166 1.543 . . . . 25.0 115.166 178.005 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 59.7 tttm -142.91 118.55 10.43 Favored 'General case' 0 C--O 1.214 -0.774 0 N-CA-C 109.832 -0.432 . . . . 25.0 109.832 177.08 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 42.36 80.71 0.03 OUTLIER 'General case' 0 CA--C 1.548 0.878 0 N-CA-C 115.113 1.523 . . . . 25.0 115.113 179.731 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 . . . . . 0 C--O 1.203 -1.391 0 CA-C-O 124.349 2.023 . . . . 25.0 110.257 172.197 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.8 ttm . . . . . 0 N--CA 1.492 1.636 0 CA-C-O 123.971 1.843 . . . . 25.0 113.39 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -73.92 151.11 40.47 Favored 'General case' 0 N--CA 1.433 -1.287 0 O-C-N 120.291 -1.506 . . . . 25.0 113.067 179.348 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 7.0 mp0 -69.19 47.48 0.07 Allowed 'General case' 0 CA--C 1.554 1.124 0 N-CA-C 115.392 1.627 . . . . 25.0 115.392 -179.062 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -61.46 -36.0 79.21 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 112.874 0.694 . . . . 25.0 112.874 -178.378 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.41 -29.07 69.7 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 112.926 0.713 . . . . 25.0 112.926 -176.084 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 94.4 mm-40 -63.64 -41.34 98.25 Favored 'General case' 0 N--CA 1.456 -0.144 0 CA-C-O 122.06 0.934 . . . . 25.0 110.109 178.056 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 28.5 mt -69.78 -39.64 78.14 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.885 0 CA-C-N 114.564 -1.198 . . . . 25.0 109.015 -178.21 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 92.7 mtp -62.54 -42.2 99.38 Favored 'General case' 0 C--N 1.309 -1.168 0 N-CA-C 111.982 0.364 . . . . 25.0 111.982 176.736 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.22 -41.95 89.85 Favored 'General case' 0 C--O 1.223 -0.304 0 CA-C-O 121.245 0.545 . . . . 25.0 110.774 179.453 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.52 -46.9 83.93 Favored 'General case' 0 CA--C 1.548 0.896 0 CA-C-O 121.663 0.744 . . . . 25.0 110.17 -178.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 58.0 mt -67.85 -36.59 80.58 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.523 0.678 . . . . 25.0 110.464 -177.654 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 63.7 m-20 -63.15 -36.3 83.17 Favored 'General case' 0 CA--C 1.508 -0.653 0 CA-C-N 116.096 -0.502 . . . . 25.0 111.503 178.718 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 42.4 t -63.21 -40.77 98.43 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 123.074 0.234 . . . . 25.0 110.822 179.088 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 89.3 mm-40 -76.22 -24.07 54.62 Favored 'General case' 0 C--N 1.332 -0.163 0 N-CA-C 112.329 0.492 . . . . 25.0 112.329 -175.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 38.4 p -104.37 -8.29 19.31 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 113.294 0.85 . . . . 25.0 113.294 -173.193 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -49.92 -63.57 1.07 Allowed 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 113.458 0.91 . . . . 25.0 113.458 -174.668 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 8.3 p -68.72 -32.18 53.88 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 O-C-N 121.292 -0.88 . . . . 25.0 111.599 -175.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 66.2 tt0 -64.48 -45.15 88.57 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 121.096 0.474 . . . . 25.0 109.993 -179.698 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 16.2 m-30 -75.34 -28.45 59.6 Favored 'General case' 0 C--O 1.212 -0.897 0 CA-C-N 115.674 -0.694 . . . . 25.0 110.275 179.246 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.424 ' HA ' HD11 ' A' ' 38' ' ' ILE . 39.2 tt0 -62.26 -43.61 98.44 Favored 'General case' 0 C--N 1.323 -0.582 0 O-C-N 121.404 -0.81 . . . . 25.0 112.577 178.68 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -61.79 -42.17 98.66 Favored 'General case' 0 C--O 1.239 0.549 0 N-CA-C 109.303 -0.629 . . . . 25.0 109.303 178.283 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 83.8 t80 -66.67 -44.19 82.48 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 111.91 0.337 . . . . 25.0 111.91 176.802 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.428 ' HA ' HD23 ' A' ' 37' ' ' LEU . . . -60.66 -38.09 83.7 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-O 121.148 0.499 . . . . 25.0 111.72 -177.629 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.17 -28.39 69.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.811 -0.632 . . . . 25.0 109.414 179.532 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -79.37 -19.26 50.59 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.814 -0.175 . . . . 25.0 110.746 -178.647 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 94.2 mm-40 -96.95 -44.87 6.83 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 122.134 -0.354 . . . . 25.0 111.883 -179.251 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -121.54 73.62 31.5 Favored Pre-proline 0 C--O 1.25 1.092 0 N-CA-C 108.677 -0.86 . . . . 25.0 108.677 178.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -68.59 137.39 38.95 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 116.475 -1.883 . . . . 25.0 113.741 -174.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 83.37 -21.63 8.39 Favored Glycine 0 N--CA 1.446 -0.644 0 N-CA-C 115.322 0.889 . . . . 25.0 115.322 -177.759 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 22.9 m120 -94.74 85.42 4.45 Favored 'General case' 0 N--CA 1.471 0.623 0 O-C-N 121.436 -1.038 . . . . 25.0 111.371 -175.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 64.2 t80 -54.44 -43.76 71.9 Favored 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 112.801 0.667 . . . . 25.0 112.801 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 20.4 pt-20 -61.26 -46.45 90.3 Favored 'General case' 0 C--O 1.206 -1.237 0 O-C-N 122.078 -0.389 . . . . 25.0 112.029 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 87.3 mm-40 -67.84 -35.71 79.06 Favored 'General case' 0 CA--C 1.509 -0.612 0 CA-C-O 121.701 0.762 . . . . 25.0 111.949 179.413 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 56.1 mt-30 -59.68 -38.98 82.99 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.63 -0.714 . . . . 25.0 110.232 177.44 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 79.6 mm-40 -71.33 -39.16 71.55 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-O 121.798 0.809 . . . . 25.0 110.743 -178.245 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 73.5 mt -62.71 -42.54 96.54 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.587 0 N-CA-C 108.302 -0.999 . . . . 25.0 108.302 178.322 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.428 HD23 ' HA ' ' A' ' 23' ' ' ALA . 37.2 tp -64.24 -47.77 78.36 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.124 0.487 . . . . 25.0 111.339 -178.238 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.424 HD11 ' HA ' ' A' ' 20' ' ' GLN . 59.9 mt -57.28 -42.91 81.11 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.003 0 O-C-N 121.467 -0.771 . . . . 25.0 109.893 178.253 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 7.9 tmm_? -62.02 -41.95 98.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 118.856 -0.592 . . . . 25.0 109.957 178.546 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -64.7 -41.11 96.26 Favored 'General case' 0 C--N 1.311 -1.079 0 CA-C-N 118.395 0.543 . . . . 25.0 110.716 178.486 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 78.3 mt -65.26 -37.4 87.1 Favored 'General case' 0 C--N 1.349 0.577 0 CA-C-O 120.95 0.405 . . . . 25.0 111.834 179.521 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -68.4 -41.57 80.29 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.566 -0.288 . . . . 25.0 110.406 179.433 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -70.52 -32.5 70.0 Favored 'General case' 0 N--CA 1.482 1.143 0 O-C-N 120.607 -1.308 . . . . 25.0 111.267 177.304 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 54.6 tt0 -59.17 -48.7 80.63 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-O 122.26 1.029 . . . . 25.0 109.874 175.045 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 73.6 m80 -73.21 -27.14 61.45 Favored 'General case' 0 C--O 1.25 1.117 0 O-C-N 121.372 -0.83 . . . . 25.0 111.708 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 32.1 t80 -65.88 -36.45 83.45 Favored 'General case' 0 N--CA 1.45 -0.468 0 C-N-CA 119.776 -0.77 . . . . 25.0 110.023 176.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 55.5 mt-30 -64.63 -39.07 93.05 Favored 'General case' 0 N--CA 1.475 0.782 0 N-CA-C 110.104 -0.332 . . . . 25.0 110.104 176.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 47.8 tt0 -62.46 -46.71 87.25 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-O 121.213 0.53 . . . . 25.0 110.459 177.444 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 38.2 t80 -64.48 -38.23 90.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.023 -0.535 . . . . 25.0 110.933 -178.625 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.38 -38.97 81.86 Favored 'General case' 0 N--CA 1.44 -0.942 0 O-C-N 121.986 -0.446 . . . . 25.0 111.75 178.824 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 82.5 mm-40 -71.42 -34.92 70.75 Favored 'General case' 0 N--CA 1.473 0.718 0 O-C-N 121.639 -0.663 . . . . 25.0 110.932 176.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -60.23 -46.33 90.13 Favored 'General case' 0 C--N 1.32 -0.714 0 C-N-CA 120.603 -0.439 . . . . 25.0 110.092 174.105 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 46.6 mt -64.69 -30.21 71.22 Favored 'General case' 0 C--N 1.314 -0.96 0 O-C-N 123.186 0.304 . . . . 25.0 111.813 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -64.67 -37.98 89.43 Favored 'General case' 0 C--N 1.308 -1.223 0 N-CA-C 108.987 -0.746 . . . . 25.0 108.987 178.84 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -71.54 -34.53 70.1 Favored 'General case' 0 C--N 1.317 -0.817 0 O-C-N 121.751 -0.593 . . . . 25.0 110.776 176.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 88.0 t -67.09 -35.93 75.69 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.975 0 CA-C-O 122.151 0.977 . . . . 25.0 108.666 177.758 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -60.99 -46.11 92.08 Favored 'General case' 0 C--O 1.205 -1.256 0 O-C-N 120.953 -1.092 . . . . 25.0 110.403 175.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 89.2 mt -65.06 -34.77 79.21 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-O 120.751 0.31 . . . . 25.0 111.416 179.305 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.08 -43.47 98.76 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.97 -0.559 . . . . 25.0 109.565 178.276 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -72.75 -32.75 65.89 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 120.324 -0.55 . . . . 25.0 110.419 179.279 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 4.1 mm-40 -61.35 -44.04 97.85 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 120.221 -0.591 . . . . 25.0 110.832 178.534 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -74.63 -24.32 58.83 Favored 'General case' 0 N--CA 1.448 -0.571 0 C-N-CA 120.508 -0.477 . . . . 25.0 111.645 -179.112 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.1 -34.79 78.35 Favored 'General case' 0 N--CA 1.47 0.557 0 O-C-N 123.695 0.622 . . . . 25.0 110.328 174.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -82.47 -37.94 24.64 Favored 'General case' 0 CA--C 1.547 0.865 0 CA-C-O 121.762 0.791 . . . . 25.0 111.006 178.262 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 57.2 mt -73.35 -34.36 65.57 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 115.818 -0.628 . . . . 25.0 110.922 -175.252 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 41.34 39.91 1.11 Allowed 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.018 1.327 . . . . 25.0 114.327 -179.279 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 12.4 tppt? -153.29 88.25 1.29 Allowed 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 115.299 -0.864 . . . . 25.0 111.752 -178.39 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 82.0 mt-30 -88.45 56.54 3.84 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-O 121.581 0.705 . . . . 25.0 109.382 174.252 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 . . . . . 0 C--N 1.357 0.913 0 CA-C-O 124.263 1.982 . . . . 25.0 110.501 -176.487 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 75.4 mtm . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 125.15 2.405 . . . . 25.0 111.566 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -88.74 130.96 35.23 Favored 'General case' 0 C--O 1.213 -0.863 0 CA-C-N 113.256 -1.793 . . . . 25.0 111.172 -179.273 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 -131.4 73.82 1.56 Allowed 'General case' 0 CA--C 1.538 0.487 0 CA-C-O 122.373 1.082 . . . . 25.0 109.892 178.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 58.9 mttp -56.97 -33.91 67.56 Favored 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 114.525 1.306 . . . . 25.0 114.525 -176.297 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 9.6 mp0 -63.52 -27.68 69.43 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 112.943 0.72 . . . . 25.0 112.943 -178.698 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -65.53 -40.09 92.51 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-O 121.664 0.745 . . . . 25.0 109.993 176.608 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 55.3 mt -68.13 -39.89 82.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 108.748 -0.834 . . . . 25.0 108.748 -177.654 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 83.3 mtp -65.18 -37.39 87.22 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.808 -0.633 . . . . 25.0 110.571 177.197 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.34 -38.61 88.05 Favored 'General case' 0 N--CA 1.448 -0.564 0 C-N-CA 120.714 -0.394 . . . . 25.0 110.945 178.796 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.45 -44.63 93.95 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 109.921 -0.4 . . . . 25.0 109.921 178.684 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 68.8 mt -66.37 -33.76 76.43 Favored 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 112.202 0.445 . . . . 25.0 112.202 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -55.72 -41.71 74.24 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 122.482 0.313 . . . . 25.0 110.469 178.618 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 18.6 t -65.94 -34.57 78.42 Favored 'General case' 0 C--O 1.22 -0.462 0 CA-C-O 121.218 0.532 . . . . 25.0 111.009 -177.184 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 28.6 mm100 -75.6 -44.74 41.43 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 113.25 0.833 . . . . 25.0 113.25 -177.536 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 34.2 p -86.86 -1.07 57.51 Favored 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 114.545 1.313 . . . . 25.0 114.545 -173.808 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -43.64 -70.37 0.11 Allowed 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 115.331 1.604 . . . . 25.0 115.331 -171.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 5.6 p -74.92 -24.02 17.8 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 O-C-N 121.643 -0.661 . . . . 25.0 111.044 -177.387 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 60.1 tt0 -64.63 -50.07 68.55 Favored 'General case' 0 C--O 1.238 0.448 0 CA-C-O 121.182 0.515 . . . . 25.0 111.021 -178.273 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 13.5 m-30 -76.24 -22.09 55.58 Favored 'General case' 0 N--CA 1.465 0.288 0 C-N-CA 120.595 -0.442 . . . . 25.0 109.956 -178.509 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.487 ' HA ' HD11 ' A' ' 38' ' ' ILE . 26.4 tt0 -62.34 -38.4 89.33 Favored 'General case' 0 C--O 1.222 -0.383 0 O-C-N 122.047 -0.408 . . . . 25.0 111.512 177.22 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 69.3 mt-30 -65.15 -39.18 92.62 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-O 120.974 0.416 . . . . 25.0 110.283 177.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 45.3 t80 -65.18 -43.78 90.6 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.9 -0.778 . . . . 25.0 108.9 177.213 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.44 -37.98 89.41 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 120.466 -0.494 . . . . 25.0 110.032 -176.485 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.49 -26.15 67.04 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 116.625 -0.261 . . . . 25.0 111.563 178.775 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -74.2 -17.0 60.95 Favored 'General case' 0 C--O 1.218 -0.605 0 O-C-N 121.677 -0.64 . . . . 25.0 111.043 177.158 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 88.5 mm-40 -107.02 -47.23 3.74 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.783 0.66 . . . . 25.0 112.783 -175.58 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -121.05 68.67 17.43 Favored Pre-proline 0 C--O 1.243 0.728 0 CA-C-N 116.375 -0.375 . . . . 25.0 110.992 177.577 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -64.84 140.72 68.3 Favored 'Trans proline' 0 CA--C 1.533 0.468 0 C-N-CA 116.377 -1.949 . . . . 25.0 112.516 -177.301 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 82.28 -21.56 7.02 Favored Glycine 0 CA--C 1.507 -0.416 0 N-CA-C 115.55 0.98 . . . . 25.0 115.55 179.584 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 22.7 m120 -96.76 83.07 3.37 Favored 'General case' 0 C--O 1.219 -0.537 0 CA-C-N 117.667 0.733 . . . . 25.0 110.457 -177.625 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 39.7 t80 -53.02 -45.57 68.0 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 112.494 0.553 . . . . 25.0 112.494 -178.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -62.93 -45.43 92.51 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 120.241 -0.584 . . . . 25.0 110.592 -177.353 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 95.3 mm-40 -68.65 -34.6 75.99 Favored 'General case' 0 CA--C 1.504 -0.808 0 O-C-N 121.105 -0.997 . . . . 25.0 110.42 -177.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -58.0 -38.37 76.02 Favored 'General case' 0 N--CA 1.442 -0.841 0 CA-C-O 120.765 0.317 . . . . 25.0 110.163 173.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 94.8 mm-40 -72.83 -37.92 67.29 Favored 'General case' 0 N--CA 1.48 1.055 0 O-C-N 121.925 -0.484 . . . . 25.0 109.911 -177.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 80.1 mt -62.05 -42.76 96.19 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.198 0 N-CA-C 109.938 -0.393 . . . . 25.0 109.938 177.585 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 30.4 tp -64.44 -45.76 86.09 Favored 'General case' 0 C--O 1.216 -0.704 0 CA-C-N 116.839 -0.164 . . . . 25.0 110.749 176.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.487 HD11 ' HA ' ' A' ' 20' ' ' GLN . 63.1 mt -58.67 -38.6 72.56 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 N-CA-C 109.589 -0.523 . . . . 25.0 109.589 178.827 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.6 tmt_? -58.89 -44.41 91.15 Favored 'General case' 0 C--O 1.24 0.576 0 N-CA-C 109.178 -0.675 . . . . 25.0 109.178 177.766 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 59.5 tt0 -66.69 -40.67 88.62 Favored 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 111.898 0.332 . . . . 25.0 111.898 177.573 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 96.3 mt -62.78 -40.98 99.0 Favored 'General case' 0 C--O 1.212 -0.905 0 N-CA-C 109.812 -0.44 . . . . 25.0 109.812 -179.305 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -70.92 -33.28 70.37 Favored 'General case' 0 C--O 1.216 -0.701 0 CA-C-N 116.548 -0.296 . . . . 25.0 111.312 178.753 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -65.98 -42.28 90.07 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.527 0.679 . . . . 25.0 109.72 175.154 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 55.4 tt0 -67.29 -43.23 82.27 Favored 'General case' 0 C--N 1.316 -0.862 0 O-C-N 121.709 -0.619 . . . . 25.0 110.894 178.806 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 12.9 t-160 -62.65 -41.08 98.84 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 108.968 -0.752 . . . . 25.0 108.968 177.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 44.9 t80 -61.87 -33.08 73.55 Favored 'General case' 0 C--O 1.215 -0.726 0 O-C-N 121.944 -0.472 . . . . 25.0 111.656 179.133 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.92 -42.49 97.38 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.092 0.472 . . . . 25.0 109.969 177.09 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -64.76 -41.18 96.09 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-O 121.246 0.546 . . . . 25.0 109.61 176.231 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 21.1 t80 -62.16 -34.32 76.19 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.322 -0.399 . . . . 25.0 111.255 178.574 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.46 -37.82 83.51 Favored 'General case' 0 N--CA 1.45 -0.439 0 O-C-N 122.177 -0.327 . . . . 25.0 111.09 176.581 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -67.68 -39.97 84.43 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.714 -0.476 . . . . 25.0 109.714 177.068 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -63.5 -43.95 95.74 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.72 -0.392 . . . . 25.0 111.03 178.239 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 48.2 mt -62.73 -28.47 69.99 Favored 'General case' 0 C--O 1.216 -0.708 0 N-CA-C 112.357 0.502 . . . . 25.0 112.357 -179.464 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -68.46 -38.11 80.79 Favored 'General case' 0 CA--C 1.548 0.874 0 O-C-N 121.279 -0.888 . . . . 25.0 110.887 175.693 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -71.22 -32.96 69.43 Favored 'General case' 0 C--O 1.212 -0.869 0 N-CA-C 109.673 -0.491 . . . . 25.0 109.673 178.35 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 82.5 t -69.0 -40.99 81.57 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.549 0 CA-C-O 121.483 0.658 . . . . 25.0 109.375 175.198 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -59.22 -51.01 71.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 121.762 -0.586 . . . . 25.0 111.078 179.065 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.8 pp -68.13 -29.23 68.09 Favored 'General case' 0 N--CA 1.444 -0.747 0 N-CA-C 111.807 0.299 . . . . 25.0 111.807 -177.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.13 -40.89 95.5 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 120.414 -0.515 . . . . 25.0 109.759 175.11 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 86.5 mt-30 -70.69 -32.1 69.22 Favored 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 120.807 -0.357 . . . . 25.0 111.065 -179.362 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 90.4 mm-40 -63.58 -49.49 73.17 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 119.97 -0.692 . . . . 25.0 109.916 175.234 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -68.16 -25.86 65.47 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.305 0.483 . . . . 25.0 112.305 -175.768 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.23 -32.85 74.35 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.634 0.254 . . . . 25.0 111.197 176.803 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -87.5 -32.91 19.18 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.543 0.687 . . . . 25.0 111.905 177.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 73.6 mt -74.38 -33.69 63.13 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 122.006 -0.434 . . . . 25.0 111.982 -177.736 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 85.1 mm-40 51.39 37.48 19.18 Favored 'General case' 0 N--CA 1.475 0.805 0 O-C-N 124.182 0.926 . . . . 25.0 113.195 178.366 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 10.9 ttpt -124.1 28.13 6.88 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 112.842 0.682 . . . . 25.0 112.842 -177.662 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 98.1 mm-40 -121.45 63.62 0.9 Allowed 'General case' 0 CA--C 1.542 0.658 0 CA-C-O 122.138 0.97 . . . . 25.0 108.894 178.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 . . . . . 0 C--O 1.208 -1.09 0 CA-C-O 124.646 2.165 . . . . 25.0 112.922 -175.774 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.3 ttm . . . . . 0 N--CA 1.495 1.781 0 CA-C-O 123.438 1.59 . . . . 25.0 111.406 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 32.5 tt0 -74.9 -13.75 60.58 Favored 'General case' 0 C--O 1.219 -0.543 0 CA-C-N 114.605 -1.179 . . . . 25.0 111.254 178.38 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -116.09 101.86 9.11 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.277 -0.419 . . . . 25.0 110.254 -178.324 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 23.0 ptmt -63.67 -30.11 71.25 Favored 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 115.492 1.664 . . . . 25.0 115.492 -176.607 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 85.0 mt-30 -71.37 -26.92 63.0 Favored 'General case' 0 N--CA 1.486 1.33 0 O-C-N 121.199 -0.938 . . . . 25.0 112.901 -177.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -65.56 -37.21 86.02 Favored 'General case' 0 C--O 1.221 -0.419 0 CA-C-O 121.948 0.88 . . . . 25.0 108.91 176.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 54.6 mt -68.4 -42.91 84.36 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.004 0 CA-C-N 115.175 -0.921 . . . . 25.0 110.379 -179.786 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 75.7 mtp -60.17 -42.51 95.11 Favored 'General case' 0 C--O 1.215 -0.724 0 C-N-CA 120.558 -0.457 . . . . 25.0 111.164 176.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.07 -39.2 74.48 Favored 'General case' 0 CA--C 1.54 0.593 0 O-C-N 121.442 -0.786 . . . . 25.0 112.03 -178.507 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.08 -45.12 86.58 Favored 'General case' 0 C--N 1.312 -1.063 0 CA-C-O 121.94 0.876 . . . . 25.0 110.562 179.219 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 87.4 mt -65.99 -32.69 74.32 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.041 -0.527 . . . . 25.0 110.532 -178.601 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 78.3 m-20 -64.58 -36.17 83.38 Favored 'General case' 0 N--CA 1.435 -1.189 0 CA-C-O 120.884 0.373 . . . . 25.0 110.085 -178.6 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 19.6 m -65.18 -42.49 93.6 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.559 0.695 . . . . 25.0 111.542 177.398 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 27.8 mm100 -72.14 -37.9 69.32 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 114.033 1.123 . . . . 25.0 114.033 -177.136 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 41.6 p -90.91 2.14 56.44 Favored 'General case' 0 C--N 1.313 -1.011 0 N-CA-C 113.406 0.891 . . . . 25.0 113.406 -177.523 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -50.68 -69.38 0.11 Allowed 'General case' 0 CA--C 1.546 0.799 0 N-CA-C 113.439 0.904 . . . . 25.0 113.439 -173.249 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.9 p -72.74 -26.66 23.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 O-C-N 121.134 -0.979 . . . . 25.0 110.2 -177.008 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 44.2 tt0 -59.5 -45.56 91.34 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.264 0.555 . . . . 25.0 110.406 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 12.7 m-30 -84.01 -22.43 31.35 Favored 'General case' 0 C--O 1.246 0.869 0 CA-C-O 121.356 0.598 . . . . 25.0 111.679 -178.153 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.513 ' HA ' HD11 ' A' ' 38' ' ' ILE . 59.4 tt0 -61.99 -36.58 81.93 Favored 'General case' 0 C--O 1.217 -0.643 0 CA-C-N 116.078 -0.51 . . . . 25.0 110.57 -179.59 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 98.1 mm-40 -60.99 -43.04 99.42 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 120.741 -0.383 . . . . 25.0 110.658 179.089 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 67.9 t80 -69.53 -44.57 70.7 Favored 'General case' 0 C--O 1.242 0.69 0 CA-C-O 121.162 0.506 . . . . 25.0 111.129 177.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.52 -34.96 73.29 Favored 'General case' 0 C--O 1.226 -0.166 0 O-C-N 121.511 -0.743 . . . . 25.0 111.375 -179.501 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.47 -24.26 64.68 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.141 0.422 . . . . 25.0 112.141 -178.187 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -79.19 -27.73 42.61 Favored 'General case' 0 C--O 1.242 0.659 0 O-C-N 122.26 -0.275 . . . . 25.0 110.266 178.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 84.6 mm-40 -89.58 -46.74 8.44 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 122.834 0.454 . . . . 25.0 111.326 -174.594 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -120.23 69.95 15.26 Favored Pre-proline 0 CA--C 1.528 0.118 0 CA-C-O 120.894 0.378 . . . . 25.0 110.676 177.661 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_endo -69.88 140.32 41.95 Favored 'Trans proline' 0 C--N 1.35 0.614 0 C-N-CA 116.596 -1.803 . . . . 25.0 113.744 -179.136 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 83.32 -11.33 55.87 Favored Glycine 0 C--N 1.346 1.132 0 N-CA-C 116.422 1.329 . . . . 25.0 116.422 -178.159 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -114.47 87.03 2.55 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 118.587 1.194 . . . . 25.0 109.584 -174.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 72.8 t80 -52.75 -48.05 67.01 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 113.018 0.747 . . . . 25.0 113.018 179.596 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -58.84 -45.57 89.73 Favored 'General case' 0 C--O 1.216 -0.695 0 N-CA-C 112.9 0.704 . . . . 25.0 112.9 -179.007 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 96.7 mm-40 -68.66 -35.66 77.54 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.037 0.446 . . . . 25.0 110.758 -178.23 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -59.3 -36.8 76.27 Favored 'General case' 0 C--O 1.205 -1.279 0 C-N-CA 120.193 -0.603 . . . . 25.0 110.262 173.706 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 85.0 mm-40 -70.58 -41.43 72.37 Favored 'General case' 0 N--CA 1.47 0.572 0 O-C-N 121.529 -0.732 . . . . 25.0 110.518 -177.707 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 68.7 mt -62.39 -41.92 93.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 N-CA-C 108.849 -0.797 . . . . 25.0 108.849 178.65 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 25.7 tp -65.19 -48.08 74.68 Favored 'General case' 0 N--CA 1.452 -0.354 0 O-C-N 122.08 -0.387 . . . . 25.0 110.146 -178.58 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.513 HD11 ' HA ' ' A' ' 20' ' ' GLN . 66.1 mt -57.71 -37.61 60.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 O-C-N 122.038 -0.414 . . . . 25.0 110.951 178.101 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.14 -42.34 90.44 Favored 'General case' 0 C--O 1.21 -1.01 0 CA-C-O 121.208 0.528 . . . . 25.0 111.989 179.029 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -71.21 -36.44 71.89 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 120.457 -0.497 . . . . 25.0 111.214 178.554 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 66.9 mt -63.0 -39.43 94.73 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 120.87 -0.332 . . . . 25.0 110.402 176.159 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 -68.26 -35.07 77.33 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 123.322 0.649 . . . . 25.0 111.297 178.797 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -59.18 -44.3 92.19 Favored 'General case' 0 N--CA 1.464 0.267 0 C-N-CA 120.3 -0.56 . . . . 25.0 110.246 175.74 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -71.23 -37.36 72.03 Favored 'General case' 0 C--O 1.217 -0.653 0 CA-C-N 116.223 -0.444 . . . . 25.0 111.815 177.796 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 55.2 t60 -63.17 -29.68 70.98 Favored 'General case' 0 C--N 1.314 -0.973 0 N-CA-C 111.691 0.256 . . . . 25.0 111.691 176.683 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 85.8 t80 -61.67 -31.8 71.94 Favored 'General case' 0 C--N 1.318 -0.767 0 O-C-N 122.067 -0.396 . . . . 25.0 110.59 177.167 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 -67.14 -41.52 85.96 Favored 'General case' 0 C--O 1.211 -0.925 0 C-N-CA 120.981 -0.287 . . . . 25.0 110.89 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 18.5 tt0 -62.16 -38.99 91.14 Favored 'General case' 0 CA--C 1.518 -0.262 0 O-C-N 121.703 -0.623 . . . . 25.0 110.74 179.078 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 28.2 t80 -63.77 -43.72 95.55 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.929 -0.578 . . . . 25.0 110.953 179.364 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 36.2 mmt -65.89 -40.43 91.57 Favored 'General case' 0 CA--C 1.514 -0.441 0 O-C-N 121.572 -0.705 . . . . 25.0 111.625 178.739 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -63.11 -40.96 99.15 Favored 'General case' 0 C--N 1.316 -0.88 0 C-N-CA 120.459 -0.497 . . . . 25.0 109.76 178.394 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 5.4 tp-100 -68.38 -40.51 81.37 Favored 'General case' 0 N--CA 1.441 -0.876 0 O-C-N 121.589 -0.694 . . . . 25.0 111.268 179.016 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 14.7 mt -64.52 -29.59 70.62 Favored 'General case' 0 C--O 1.204 -1.322 0 C-N-CA 119.411 -0.916 . . . . 25.0 112.385 179.562 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -64.26 -41.24 97.03 Favored 'General case' 0 C--N 1.319 -0.745 0 O-C-N 121.369 -0.832 . . . . 25.0 110.059 174.476 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 -68.51 -33.37 74.02 Favored 'General case' 0 CA--C 1.533 0.3 0 N-CA-C 108.933 -0.766 . . . . 25.0 108.933 178.53 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 71.8 t -68.9 -39.54 80.03 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 CA-C-O 121.147 0.498 . . . . 25.0 110.718 178.1 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 6.2 mm-40 -61.23 -47.5 85.79 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 108.518 -0.919 . . . . 25.0 108.518 176.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 54.4 mt -61.62 -40.84 96.29 Favored 'General case' 0 C--N 1.314 -0.936 0 N-CA-C 112.658 0.614 . . . . 25.0 112.658 178.048 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.27 -44.09 95.64 Favored 'General case' 0 N--CA 1.446 -0.636 0 C-N-CA 120.777 -0.369 . . . . 25.0 110.497 179.787 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 83.1 mt-30 -69.46 -41.15 76.6 Favored 'General case' 0 C--O 1.22 -0.46 0 C-N-CA 120.034 -0.666 . . . . 25.0 110.229 -176.34 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -70.65 -39.77 73.42 Favored 'General case' 0 C--N 1.306 -1.284 0 CA-C-O 121.948 0.88 . . . . 25.0 112.489 -176.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 4.6 pp0? -72.71 -22.78 60.83 Favored 'General case' 0 CA--C 1.506 -0.743 0 O-C-N 120.559 -1.338 . . . . 25.0 110.565 -177.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.27 -25.69 59.77 Favored 'General case' 0 C--O 1.235 0.328 0 N-CA-C 108.487 -0.931 . . . . 25.0 108.487 179.454 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -90.68 -36.37 14.39 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 122.041 0.924 . . . . 25.0 110.764 179.626 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 66.3 mt -75.97 -39.79 55.25 Favored 'General case' 0 N--CA 1.488 1.438 0 CA-C-N 115.841 -0.618 . . . . 25.0 110.478 -177.045 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 65.4 mt-30 52.57 36.26 20.12 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 114.867 1.432 . . . . 25.0 114.867 176.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 57.6 mttm -121.52 27.35 8.3 Favored 'General case' 0 C--O 1.202 -1.425 0 N-CA-C 115.388 1.625 . . . . 25.0 115.388 -175.425 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 47.8 79.7 0.06 Allowed 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 123.837 0.855 . . . . 25.0 113.269 178.556 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 24.3 pt20 . . . . . 0 CA--C 1.556 1.19 0 CA-C-O 123.175 1.464 . . . . 25.0 113.274 177.452 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.209 -1.078 0 N-CA-C 113.358 0.873 . . . . 25.0 113.358 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 2.8 tp-100 51.04 46.55 26.27 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-O 121.946 0.879 . . . . 25.0 110.157 -178.427 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 13.6 mp0 -66.91 6.64 0.48 Allowed 'General case' 0 C--O 1.213 -0.83 0 N-CA-C 113.444 0.905 . . . . 25.0 113.444 178.314 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 55.4 mtpt -52.44 -36.2 53.95 Favored 'General case' 0 C--N 1.346 0.426 0 CA-C-O 121.632 0.729 . . . . 25.0 110.569 171.936 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 18.3 pt20 -66.77 -23.62 66.1 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 113.012 0.745 . . . . 25.0 113.012 -179.049 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -71.67 -36.66 70.72 Favored 'General case' 0 C--O 1.218 -0.565 0 O-C-N 120.761 -1.212 . . . . 25.0 110.141 175.482 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 47.9 mt -67.57 -39.6 82.67 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.36 0 N-CA-C 108.44 -0.948 . . . . 25.0 108.44 178.355 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 77.5 mtp -63.46 -42.24 98.61 Favored 'General case' 0 C--O 1.206 -1.217 0 CA-C-N 115.917 -0.583 . . . . 25.0 112.31 177.214 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.36 -40.93 92.54 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-O 121.916 0.865 . . . . 25.0 110.637 -179.678 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.26 -47.09 71.75 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.248 -0.887 . . . . 25.0 110.393 -179.306 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 79.0 mt -64.06 -39.87 95.01 Favored 'General case' 0 C--O 1.242 0.66 0 O-C-N 121.101 -0.999 . . . . 25.0 111.51 -179.917 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 50.0 m-20 -64.13 -30.05 71.14 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.197 -0.456 . . . . 25.0 110.92 179.708 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 49.3 m -62.74 -36.2 82.27 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-O 120.7 0.286 . . . . 25.0 110.984 179.016 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -75.6 -27.07 58.35 Favored 'General case' 0 C--O 1.241 0.658 0 N-CA-C 113.458 0.91 . . . . 25.0 113.458 179.824 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 59.7 p -105.95 -5.22 19.79 Favored 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 114.809 1.411 . . . . 25.0 114.809 -170.462 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -48.97 -69.75 0.11 Allowed 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 114.091 1.145 . . . . 25.0 114.091 -175.065 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.5 p -68.89 -26.98 33.88 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-O 121.72 0.771 . . . . 25.0 110.258 -177.723 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 50.0 tt0 -64.5 -50.27 68.06 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.266 0.555 . . . . 25.0 111.647 -177.91 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 18.7 m-30 -75.27 -21.72 58.33 Favored 'General case' 0 C--N 1.315 -0.919 0 C-N-CA 119.185 -1.006 . . . . 25.0 110.882 -178.719 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.448 ' HA ' HD11 ' A' ' 38' ' ' ILE . 45.5 tt0 -60.92 -36.31 78.97 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 122.597 0.359 . . . . 25.0 111.202 179.593 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -70.58 -38.77 74.11 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 120.948 -0.301 . . . . 25.0 111.232 179.431 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 56.1 t80 -69.57 -36.75 76.58 Favored 'General case' 0 C--O 1.22 -0.466 0 N-CA-C 109.918 -0.401 . . . . 25.0 109.918 176.02 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.95 -42.45 97.3 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.884 -0.413 . . . . 25.0 109.884 178.753 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.51 -29.43 70.47 Favored 'General case' 0 C--O 1.205 -1.25 0 C-N-CA 120.208 -0.597 . . . . 25.0 111.278 179.231 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 37.4 tt0 -69.71 -30.79 68.5 Favored 'General case' 0 C--O 1.21 -1.026 0 CA-C-O 121.102 0.477 . . . . 25.0 109.986 178.025 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 5.5 mm-40 -89.64 -46.84 8.35 Favored 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 113.795 1.035 . . . . 25.0 113.795 -175.515 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -123.09 70.72 42.04 Favored Pre-proline 0 C--O 1.238 0.497 0 O-C-N 123.634 0.584 . . . . 25.0 110.321 179.527 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_endo -67.07 135.15 36.47 Favored 'Trans proline' 0 CA--C 1.539 0.735 0 C-N-CA 117.969 -0.888 . . . . 25.0 112.469 -172.95 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 81.99 -14.62 31.42 Favored Glycine 0 CA--C 1.536 1.361 0 CA-C-N 115.91 -0.586 . . . . 25.0 114.415 179.646 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -100.48 85.75 3.02 Favored 'General case' 0 C--O 1.217 -0.628 0 CA-C-N 117.828 0.814 . . . . 25.0 110.892 -176.662 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 60.1 t80 -52.23 -48.14 65.3 Favored 'General case' 0 CA--C 1.507 -0.706 0 N-CA-C 112.737 0.643 . . . . 25.0 112.737 -179.16 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -61.95 -46.08 90.88 Favored 'General case' 0 N--CA 1.478 0.933 0 N-CA-C 111.823 0.305 . . . . 25.0 111.823 -179.004 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.403 ' HA ' HD12 ' A' ' 36' ' ' ILE . 26.8 mm100 -65.59 -35.7 81.59 Favored 'General case' 0 C--N 1.318 -0.768 0 O-C-N 121.418 -0.801 . . . . 25.0 110.29 -179.638 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 70.8 mt-30 -61.79 -37.02 82.81 Favored 'General case' 0 N--CA 1.439 -1.018 0 C-N-CA 120.061 -0.656 . . . . 25.0 110.892 176.65 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 98.2 mm-40 -72.32 -36.66 68.92 Favored 'General case' 0 C--O 1.243 0.759 0 CA-C-O 120.977 0.418 . . . . 25.0 110.854 -178.384 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.403 HD12 ' HA ' ' A' ' 33' ' ' GLN . 56.4 mt -62.98 -42.43 96.61 Favored 'Isoleucine or valine' 0 C--O 1.258 1.528 0 O-C-N 122.0 -0.437 . . . . 25.0 110.986 175.688 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 42.5 tp -64.19 -47.65 78.97 Favored 'General case' 0 C--O 1.212 -0.896 0 C-N-CA 119.812 -0.755 . . . . 25.0 110.638 -179.687 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.448 HD11 ' HA ' ' A' ' 20' ' ' GLN . 63.9 mt -56.97 -42.4 78.85 Favored 'Isoleucine or valine' 0 C--O 1.249 1.044 0 O-C-N 121.925 -0.484 . . . . 25.0 110.716 179.037 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.82 -37.64 79.74 Favored 'General case' 0 C--O 1.24 0.589 0 O-C-N 122.036 -0.415 . . . . 25.0 112.086 179.025 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 12.4 tm0? -71.62 -43.89 65.38 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 117.751 0.251 . . . . 25.0 110.343 177.897 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 84.9 mt -59.58 -43.7 93.55 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-O 121.828 0.823 . . . . 25.0 110.899 -177.178 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -63.8 -35.36 80.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.94 -0.573 . . . . 25.0 110.197 -176.918 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -70.93 -36.38 72.61 Favored 'General case' 0 C--N 1.321 -0.668 0 O-C-N 122.025 -0.422 . . . . 25.0 111.919 179.196 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 45.4 tt0 -69.26 -41.31 77.06 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-O 121.27 0.557 . . . . 25.0 110.999 176.223 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 68.8 m-70 -66.79 -28.12 68.13 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 122.29 1.043 . . . . 25.0 111.16 178.688 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 69.2 t80 -61.88 -33.58 74.46 Favored 'General case' 0 CA--C 1.544 0.744 0 O-C-N 121.651 -0.656 . . . . 25.0 111.046 176.71 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 73.0 mt-30 -63.86 -39.84 95.16 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.58 0.705 . . . . 25.0 111.235 -179.969 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 46.0 tt0 -62.38 -41.65 98.81 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 121.773 -0.579 . . . . 25.0 109.636 -179.261 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 35.7 t80 -64.84 -42.73 94.7 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 116.085 -0.507 . . . . 25.0 111.12 179.507 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.54 -40.3 85.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.529 0.681 . . . . 25.0 111.725 178.846 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -58.95 -42.24 89.36 Favored 'General case' 0 C--O 1.235 0.32 0 O-C-N 122.03 -0.419 . . . . 25.0 111.662 178.129 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 7.2 tp-100 -63.34 -46.09 88.23 Favored 'General case' 0 C--O 1.216 -0.679 0 CA-C-O 121.531 0.682 . . . . 25.0 110.749 177.922 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 59.1 mt -63.94 -28.43 69.82 Favored 'General case' 0 CA--C 1.512 -0.49 0 N-CA-C 112.961 0.726 . . . . 25.0 112.961 -178.337 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -65.45 -38.86 91.1 Favored 'General case' 0 C--N 1.318 -0.778 0 C-N-CA 122.752 0.421 . . . . 25.0 110.118 176.809 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -69.09 -36.65 77.81 Favored 'General case' 0 C--O 1.218 -0.578 0 C-N-CA 120.677 -0.409 . . . . 25.0 110.488 177.519 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 84.5 t -67.53 -37.5 78.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 N-CA-C 109.256 -0.646 . . . . 25.0 109.256 178.41 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -63.43 -45.43 90.96 Favored 'General case' 0 C--N 1.314 -0.965 0 O-C-N 121.405 -0.81 . . . . 25.0 110.11 176.035 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 15.1 mt -63.72 -35.92 82.16 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.636 -0.257 . . . . 25.0 111.125 179.5 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -57.23 -46.82 82.61 Favored 'General case' 0 C--O 1.216 -0.701 0 N-CA-C 109.021 -0.733 . . . . 25.0 109.021 178.469 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 59.8 mt-30 -64.72 -37.83 88.94 Favored 'General case' 0 N--CA 1.434 -1.233 0 C-N-CA 120.392 -0.523 . . . . 25.0 110.639 -179.923 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 18.6 mt-30 -64.46 -42.51 95.89 Favored 'General case' 0 C--O 1.214 -0.794 0 C-N-CA 120.265 -0.574 . . . . 25.0 110.89 177.578 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 50.2 mt-30 -71.55 -29.4 64.7 Favored 'General case' 0 C--N 1.307 -1.269 0 CA-C-O 120.355 0.121 . . . . 25.0 110.912 -175.837 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -62.98 -30.05 71.29 Favored 'General case' 0 C--N 1.31 -1.132 0 CA-C-N 116.003 -0.544 . . . . 25.0 110.462 175.405 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -92.56 -34.76 13.91 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.225 0.454 . . . . 25.0 112.225 178.729 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 35.3 mt -69.88 -41.47 74.73 Favored 'General case' 0 CA--C 1.498 -1.019 0 O-C-N 122.137 -0.352 . . . . 25.0 111.424 -176.889 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 83.2 mt-30 53.93 24.05 4.34 Favored 'General case' 0 CA--C 1.554 1.129 0 N-CA-C 114.312 1.227 . . . . 25.0 114.312 176.286 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 26.4 ttpt 54.88 35.93 25.48 Favored 'General case' 0 C--O 1.251 1.171 0 N-CA-C 114.001 1.111 . . . . 25.0 114.001 -179.117 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -80.56 78.58 7.29 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 123.284 1.516 . . . . 25.0 108.0 175.209 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 26.3 mm100 . . . . . 0 C--O 1.209 -1.076 0 CA-C-O 124.646 2.165 . . . . 25.0 112.457 -173.447 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 74.7 mtm . . . . . 0 N--CA 1.504 2.264 0 CA-C-O 123.492 1.615 . . . . 25.0 111.201 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 3.4 pm0 -75.26 46.54 0.33 Allowed 'General case' 0 C--O 1.253 1.244 0 CA-C-N 113.707 -1.588 . . . . 25.0 113.052 176.874 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 48.3 tt0 -73.91 58.56 0.66 Allowed 'General case' 0 CA--C 1.544 0.733 0 CA-C-O 122.351 1.072 . . . . 25.0 111.214 -178.727 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 55.5 pttt -132.73 -28.83 1.56 Allowed 'General case' 0 C--O 1.221 -0.418 0 CA-C-N 115.427 -0.806 . . . . 25.0 110.06 -177.859 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -72.62 -23.94 61.0 Favored 'General case' 0 C--O 1.211 -0.921 0 N-CA-C 113.868 1.062 . . . . 25.0 113.868 -177.188 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 13.7 mm-40 -59.7 -43.07 94.25 Favored 'General case' 0 C--O 1.211 -0.969 0 CA-C-O 121.992 0.901 . . . . 25.0 109.246 174.204 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 81.1 mt -69.23 -38.88 78.46 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.024 0 N-CA-C 108.522 -0.918 . . . . 25.0 108.522 -177.304 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 78.8 mtp -61.99 -42.16 98.84 Favored 'General case' 0 C--O 1.207 -1.175 0 N-CA-C 109.434 -0.58 . . . . 25.0 109.434 179.454 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.49 -39.71 94.35 Favored 'General case' 0 CA--C 1.55 0.961 0 CA-C-N 118.175 0.443 . . . . 25.0 110.204 179.803 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.47 -46.3 86.8 Favored 'General case' 0 N--CA 1.477 0.909 0 CA-C-O 121.375 0.607 . . . . 25.0 110.956 178.72 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 89.6 mt -65.03 -35.99 82.93 Favored 'General case' 0 CA--C 1.498 -1.03 0 CA-C-N 116.062 -0.517 . . . . 25.0 112.02 177.99 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 82.1 m-20 -64.92 -39.87 94.19 Favored 'General case' 0 C--O 1.212 -0.906 0 C-N-CA 120.638 -0.425 . . . . 25.0 110.254 -178.359 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 32.1 t -71.71 -42.76 66.98 Favored 'General case' 0 C--O 1.241 0.645 0 C-N-CA 120.8 -0.36 . . . . 25.0 111.392 177.763 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -61.06 -41.36 96.48 Favored 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 113.472 0.916 . . . . 25.0 113.472 -179.333 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 71.6 p -99.36 -4.91 30.56 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 115.077 1.51 . . . . 25.0 115.077 -171.551 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -45.33 -65.18 0.57 Allowed 'General case' 0 CA--C 1.532 0.259 0 N-CA-C 114.093 1.146 . . . . 25.0 114.093 -173.032 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 8.4 p -72.16 -28.25 28.93 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 C-N-CA 120.742 -0.383 . . . . 25.0 110.952 -172.976 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 6.2 mp0 -63.42 -45.5 90.66 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-O 121.18 0.514 . . . . 25.0 111.722 177.997 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 19.6 m-30 -79.61 -23.59 42.56 Favored 'General case' 0 N--CA 1.445 -0.689 0 O-C-N 121.575 -0.703 . . . . 25.0 111.445 -177.832 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.403 ' HA ' HD11 ' A' ' 38' ' ' ILE . 37.2 tt0 -60.5 -38.97 86.07 Favored 'General case' 0 C--O 1.213 -0.855 0 N-CA-C 112.344 0.498 . . . . 25.0 112.344 178.161 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -62.77 -42.91 99.91 Favored 'General case' 0 C--N 1.32 -0.691 0 C-N-CA 120.289 -0.564 . . . . 25.0 110.536 -179.366 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 33.9 t80 -67.98 -42.56 80.63 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 115.566 -0.743 . . . . 25.0 110.999 176.925 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.25 -35.39 77.14 Favored 'General case' 0 C--O 1.215 -0.714 0 CA-C-O 121.478 0.656 . . . . 25.0 110.137 -178.547 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.62 -25.01 66.39 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.661 0.743 . . . . 25.0 112.422 179.444 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -79.24 -26.48 42.47 Favored 'General case' 0 C--O 1.212 -0.892 0 O-C-N 121.723 -0.61 . . . . 25.0 110.597 177.281 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 30.5 mm-40 -86.31 -46.32 10.42 Favored 'General case' 0 N--CA 1.469 0.525 0 N-CA-C 113.527 0.936 . . . . 25.0 113.527 178.47 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 29.6 m-85 -124.06 73.12 56.31 Favored Pre-proline 0 C--O 1.245 0.817 0 CA-C-N 116.022 -0.535 . . . . 25.0 109.619 179.698 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -71.78 138.67 32.16 Favored 'Trans proline' 0 C--N 1.356 0.951 0 C-N-CA 117.307 -1.328 . . . . 25.0 114.388 -176.232 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.98 -12.0 19.5 Favored Glycine 0 N--CA 1.45 -0.394 0 N-CA-C 115.826 1.091 . . . . 25.0 115.826 -176.669 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 21.6 m120 -105.22 87.82 2.72 Favored 'General case' 0 N--CA 1.482 1.15 0 CA-C-O 121.424 0.63 . . . . 25.0 111.781 -176.788 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 81.7 t80 -56.87 -44.19 81.97 Favored 'General case' 0 N--CA 1.477 0.91 0 N-CA-C 112.678 0.621 . . . . 25.0 112.678 -179.873 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -60.54 -46.33 90.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.286 -0.416 . . . . 25.0 110.064 -179.218 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.406 ' HA ' HD12 ' A' ' 36' ' ' ILE . 94.7 mm-40 -70.31 -35.56 73.74 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 118.762 0.71 . . . . 25.0 111.254 -177.068 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 61.2 mt-30 -57.23 -38.0 73.13 Favored 'General case' 0 N--CA 1.479 0.989 0 CA-C-N 116.01 -0.541 . . . . 25.0 110.35 175.187 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 93.2 mm-40 -71.49 -39.66 70.72 Favored 'General case' 0 N--CA 1.441 -0.884 0 C-N-CA 120.373 -0.531 . . . . 25.0 111.902 -179.869 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.406 HD12 ' HA ' ' A' ' 33' ' ' GLN . 76.9 mt -63.43 -34.13 65.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 N-CA-C 107.791 -1.188 . . . . 25.0 107.791 -178.011 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 29.3 tp -71.31 -47.03 59.22 Favored 'General case' 0 C--O 1.221 -0.397 0 N-CA-C 113.195 0.813 . . . . 25.0 113.195 176.383 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.403 HD11 ' HA ' ' A' ' 20' ' ' GLN . 43.2 mt -57.28 -41.73 78.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 N-CA-C 109.587 -0.523 . . . . 25.0 109.587 178.589 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 60.6 ttp180 -59.55 -42.81 93.24 Favored 'General case' 0 C--O 1.21 -1.022 0 N-CA-C 112.066 0.395 . . . . 25.0 112.066 178.341 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -62.32 -42.6 99.51 Favored 'General case' 0 C--O 1.22 -0.456 0 O-C-N 123.343 0.402 . . . . 25.0 111.82 176.444 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 71.0 mt -64.48 -38.7 91.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 121.588 -0.695 . . . . 25.0 111.499 179.215 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -70.43 -37.29 74.38 Favored 'General case' 0 C--N 1.32 -0.713 0 O-C-N 122.075 -0.391 . . . . 25.0 111.34 -178.271 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -66.23 -37.7 86.15 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-N 115.576 -0.738 . . . . 25.0 109.428 175.974 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -66.14 -44.98 82.6 Favored 'General case' 0 C--O 1.243 0.731 0 O-C-N 121.938 -0.476 . . . . 25.0 110.146 176.496 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 73.3 t60 -63.91 -24.66 67.82 Favored 'General case' 0 C--O 1.224 -0.269 0 C-N-CA 122.457 0.303 . . . . 25.0 111.419 -178.764 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 28.0 t80 -59.23 -35.5 73.75 Favored 'General case' 0 N--CA 1.48 1.048 0 O-C-N 122.065 -0.397 . . . . 25.0 110.721 176.64 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 81.2 mt-30 -63.01 -46.03 89.58 Favored 'General case' 0 CA--C 1.547 0.838 0 CA-C-O 121.733 0.778 . . . . 25.0 110.956 177.868 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 44.3 tt0 -69.14 -41.79 76.83 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 115.658 -0.701 . . . . 25.0 110.564 -178.414 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 46.6 t80 -61.61 -35.68 78.56 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.021 0.438 . . . . 25.0 110.561 -179.041 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.55 -42.51 82.53 Favored 'General case' 0 CA--C 1.508 -0.663 0 C-N-CA 120.169 -0.613 . . . . 25.0 112.184 177.567 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 65.7 mt-30 -66.35 -36.18 82.25 Favored 'General case' 0 C--N 1.322 -0.622 0 O-C-N 122.11 -0.368 . . . . 25.0 110.238 178.069 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 70.2 tp60 -65.18 -39.35 92.78 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 123.267 0.354 . . . . 25.0 110.121 177.336 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 18.4 mt -67.45 -27.2 66.84 Favored 'General case' 0 C--N 1.312 -1.063 0 O-C-N 121.31 -0.869 . . . . 25.0 113.168 177.641 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -67.93 -40.12 83.39 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.068 -0.715 . . . . 25.0 109.068 175.493 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -70.59 -36.66 73.69 Favored 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 120.308 -0.557 . . . . 25.0 110.012 178.495 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 81.4 t -65.06 -36.85 78.77 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.915 0 CA-C-N 116.191 -0.458 . . . . 25.0 111.211 175.965 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -61.46 -42.28 98.53 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 118.91 0.777 . . . . 25.0 110.533 176.766 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 42.4 mt -66.55 -34.75 78.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.459 -0.791 . . . . 25.0 110.383 179.358 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.98 -38.08 87.61 Favored 'General case' 0 C--N 1.313 -0.987 0 CA-C-N 116.171 -0.468 . . . . 25.0 110.321 176.537 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -67.43 -32.41 73.27 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 120.28 -0.568 . . . . 25.0 111.39 177.486 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 10.8 mm100 -67.45 -43.74 80.37 Favored 'General case' 0 C--O 1.214 -0.814 0 N-CA-C 110.174 -0.306 . . . . 25.0 110.174 174.598 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -70.35 -30.93 67.99 Favored 'General case' 0 C--O 1.241 0.641 0 O-C-N 121.217 -0.927 . . . . 25.0 111.339 -179.637 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -62.96 -33.54 75.6 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 115.391 -0.822 . . . . 25.0 109.604 176.13 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -83.84 -31.06 26.0 Favored 'General case' 0 N--CA 1.481 1.078 0 N-CA-C 112.287 0.477 . . . . 25.0 112.287 177.375 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 37.9 mt -78.43 -40.22 36.49 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 113.726 1.01 . . . . 25.0 113.726 -176.599 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 81.1 mt-30 49.8 38.53 15.92 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.752 1.221 . . . . 25.0 110.791 178.006 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 16.2 ttmt -119.48 29.51 7.58 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 115.137 -0.938 . . . . 25.0 112.989 -173.227 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -78.25 57.32 1.84 Allowed 'General case' 0 CA--C 1.554 1.099 0 CA-C-O 120.913 0.387 . . . . 25.0 110.872 178.057 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 . . . . . 0 C--O 1.205 -1.265 0 N-CA-C 115.499 1.666 . . . . 25.0 115.499 -172.961 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.5 tpp . . . . . 0 N--CA 1.484 1.243 0 CA-C-O 126.651 3.12 . . . . 25.0 111.082 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 2.2 mm-40 -139.13 -174.65 3.91 Favored 'General case' 0 C--O 1.222 -0.375 0 CA-C-N 111.205 -2.725 . . . . 25.0 105.411 -174.482 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 67.5 mt-30 49.7 35.81 9.61 Favored 'General case' 0 N--CA 1.475 0.778 0 O-C-N 123.911 0.757 . . . . 25.0 112.955 176.864 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.6 mppt? -67.91 -36.37 80.08 Favored 'General case' 0 N--CA 1.48 1.043 0 O-C-N 121.599 -0.688 . . . . 25.0 112.551 -178.838 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 53.7 mt-30 -70.83 -24.8 62.61 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 121.612 -0.68 . . . . 25.0 111.918 179.713 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 82.4 mm-40 -61.91 -39.84 93.38 Favored 'General case' 0 C--O 1.209 -1.073 0 N-CA-C 107.086 -1.45 . . . . 25.0 107.086 178.368 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 30.5 mt -66.59 -43.1 90.73 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.838 0 CA-C-O 121.242 0.544 . . . . 25.0 110.488 179.547 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 87.5 mtp -61.67 -39.38 91.21 Favored 'General case' 0 C--O 1.216 -0.677 0 CA-C-N 116.135 -0.484 . . . . 25.0 110.491 -178.298 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.81 -36.57 83.88 Favored 'General case' 0 CA--C 1.553 1.068 0 N-CA-C 112.51 0.559 . . . . 25.0 112.51 178.644 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.49 -46.07 87.83 Favored 'General case' 0 C--O 1.248 0.977 0 N-CA-C 108.576 -0.898 . . . . 25.0 108.576 177.263 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 90.8 mt -64.89 -38.05 89.67 Favored 'General case' 0 C--O 1.209 -1.062 0 N-CA-C 112.614 0.598 . . . . 25.0 112.614 177.542 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -65.55 -35.4 80.75 Favored 'General case' 0 C--N 1.316 -0.872 0 N-CA-C 109.135 -0.691 . . . . 25.0 109.135 -178.54 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 27.1 m -66.48 -38.34 87.07 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.919 -0.582 . . . . 25.0 111.097 176.38 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 82.1 mm-40 -74.7 -16.27 60.76 Favored 'General case' 0 N--CA 1.475 0.786 0 N-CA-C 113.199 0.815 . . . . 25.0 113.199 -179.619 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 52.1 p -124.22 0.79 8.44 Favored 'General case' 0 N--CA 1.478 0.931 0 N-CA-C 113.816 1.043 . . . . 25.0 113.816 -174.945 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -49.16 -51.93 29.5 Favored 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 112.981 0.734 . . . . 25.0 112.981 -172.579 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.9 p -79.54 -32.19 14.47 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.626 0 N-CA-C 112.629 0.603 . . . . 25.0 112.629 -177.723 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 6.5 mp0 -64.62 -42.6 95.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 121.623 -0.673 . . . . 25.0 110.265 178.606 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 15.5 m-30 -73.6 -27.6 61.38 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.964 -0.562 . . . . 25.0 112.262 179.55 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.413 ' HA ' HD11 ' A' ' 38' ' ' ILE . 7.4 tm0? -67.51 -45.45 75.76 Favored 'General case' 0 C--O 1.216 -0.659 0 O-C-N 121.821 -0.549 . . . . 25.0 111.128 172.86 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -62.2 -38.93 91.03 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 118.882 0.765 . . . . 25.0 110.79 177.183 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 61.4 t80 -64.54 -44.71 89.96 Favored 'General case' 0 C--O 1.215 -0.754 0 O-C-N 123.553 0.533 . . . . 25.0 112.416 178.337 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.66 -32.27 73.74 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-O 122.276 1.036 . . . . 25.0 110.541 179.639 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.78 -28.57 67.72 Favored 'General case' 0 N--CA 1.443 -0.784 0 O-C-N 121.431 -0.793 . . . . 25.0 109.216 -179.523 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 19.2 tt0 -77.2 -18.66 57.58 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.101 -0.954 . . . . 25.0 112.81 -179.583 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 87.0 mm-40 -97.93 -45.48 6.27 Favored 'General case' 0 CA--C 1.514 -0.404 0 CA-C-N 115.575 -0.738 . . . . 25.0 111.535 -178.397 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 25.6 m-85 -124.69 68.37 52.6 Favored Pre-proline 0 C--N 1.326 -0.435 0 C-N-CA 122.869 0.467 . . . . 25.0 110.928 178.849 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_endo -65.63 138.71 55.23 Favored 'Trans proline' 0 C--N 1.356 0.97 0 C-N-CA 116.693 -1.738 . . . . 25.0 113.841 -176.374 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 86.84 -30.13 4.76 Favored Glycine 0 CA--C 1.529 0.913 0 O-C-N 125.148 1.53 . . . . 25.0 114.267 -177.129 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -94.88 84.35 4.16 Favored 'General case' 0 C--O 1.216 -0.66 0 CA-C-N 119.294 1.547 . . . . 25.0 111.161 -174.062 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 59.8 t80 -54.16 -42.0 69.1 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-O 121.177 0.513 . . . . 25.0 112.254 178.597 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -61.15 -43.78 98.34 Favored 'General case' 0 C--O 1.217 -0.643 0 O-C-N 120.745 -1.222 . . . . 25.0 111.493 -179.178 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 98.2 mm-40 -72.14 -32.22 66.71 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-O 121.002 0.429 . . . . 25.0 110.872 -179.887 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 70.8 mt-30 -61.72 -34.91 76.64 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 115.926 -0.579 . . . . 25.0 110.132 175.263 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 93.2 mm-40 -76.13 -36.51 58.79 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 121.037 -0.265 . . . . 25.0 110.869 -178.621 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 84.3 mt -63.03 -42.25 95.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 N-CA-C 109.166 -0.679 . . . . 25.0 109.166 176.588 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 42.2 tp -65.77 -46.57 78.26 Favored 'General case' 0 C--N 1.319 -0.742 0 C-N-CA 120.521 -0.471 . . . . 25.0 110.553 -176.685 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.413 HD11 ' HA ' ' A' ' 20' ' ' GLN . 72.0 mt -61.39 -36.57 73.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 N-CA-C 109.947 -0.39 . . . . 25.0 109.947 -179.159 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.5 tmt_? -56.07 -42.47 76.72 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 120.782 -0.367 . . . . 25.0 110.949 175.616 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -69.77 -43.34 72.37 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 120.927 -0.309 . . . . 25.0 110.958 178.275 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 85.9 mt -61.63 -41.34 97.35 Favored 'General case' 0 C--N 1.318 -0.784 0 O-C-N 122.216 -0.303 . . . . 25.0 111.468 -176.687 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -64.63 -38.25 90.37 Favored 'General case' 0 C--O 1.244 0.785 0 CA-C-O 121.358 0.599 . . . . 25.0 112.301 -178.437 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -74.43 -45.81 44.04 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-O 121.06 0.457 . . . . 25.0 110.819 -179.038 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 -62.68 -37.19 85.45 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 122.812 0.445 . . . . 25.0 112.0 -179.287 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 72.4 t60 -65.26 -37.36 86.95 Favored 'General case' 0 C--O 1.213 -0.821 0 CA-C-O 120.974 0.416 . . . . 25.0 109.917 177.105 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 52.3 t80 -63.46 -31.12 72.18 Favored 'General case' 0 C--O 1.218 -0.604 0 C-N-CA 120.036 -0.666 . . . . 25.0 111.241 177.839 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 88.9 mm-40 -66.52 -40.07 88.97 Favored 'General case' 0 C--O 1.238 0.46 0 N-CA-C 109.886 -0.413 . . . . 25.0 109.886 177.537 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -64.8 -46.92 80.01 Favored 'General case' 0 CA--C 1.51 -0.577 0 CA-C-O 121.447 0.641 . . . . 25.0 110.056 177.23 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 51.2 t80 -59.26 -38.5 80.24 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.996 -0.547 . . . . 25.0 110.673 -179.373 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.48 -37.81 65.62 Favored 'General case' 0 CA--C 1.537 0.45 0 O-C-N 121.989 -0.444 . . . . 25.0 111.971 178.573 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 45.0 tt0 -61.34 -46.83 88.59 Favored 'General case' 0 CA--C 1.544 0.743 0 O-C-N 121.62 -0.675 . . . . 25.0 111.608 177.044 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -63.65 -39.8 95.25 Favored 'General case' 0 C--O 1.218 -0.593 0 N-CA-C 108.713 -0.847 . . . . 25.0 108.713 -179.893 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 19.9 mt -64.77 -35.44 81.08 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 112.449 0.537 . . . . 25.0 112.449 177.752 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -60.93 -41.63 96.57 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 116.45 -0.341 . . . . 25.0 110.877 176.664 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 92.6 mt-30 -69.67 -31.8 70.06 Favored 'General case' 0 C--N 1.318 -0.761 0 N-CA-C 112.516 0.561 . . . . 25.0 112.516 179.013 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 93.1 t -71.13 -40.06 74.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 C-N-CA 119.927 -0.709 . . . . 25.0 110.733 178.49 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.6 mm-40 -59.0 -45.8 89.76 Favored 'General case' 0 N--CA 1.444 -0.764 0 CA-C-O 121.558 0.694 . . . . 25.0 110.903 176.875 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 59.0 mt -64.76 -39.7 94.06 Favored 'General case' 0 N--CA 1.439 -0.975 0 CA-C-N 115.461 -0.791 . . . . 25.0 112.445 176.826 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.52 -43.0 99.64 Favored 'General case' 0 C--O 1.24 0.571 0 CA-C-O 121.622 0.725 . . . . 25.0 110.248 179.584 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -66.46 -40.51 89.43 Favored 'General case' 0 C--N 1.322 -0.618 0 O-C-N 122.012 -0.43 . . . . 25.0 111.605 179.756 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -67.55 -37.97 83.46 Favored 'General case' 0 C--O 1.201 -1.492 0 C-N-CA 119.493 -0.883 . . . . 25.0 112.814 -177.341 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -70.4 -28.16 64.86 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 119.271 -0.971 . . . . 25.0 113.05 178.289 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -66.65 -29.47 69.5 Favored 'General case' 0 N--CA 1.471 0.622 0 N-CA-C 109.435 -0.58 . . . . 25.0 109.435 177.017 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -85.78 -38.31 18.34 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.385 -0.371 . . . . 25.0 110.901 177.712 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 69.9 mt -74.27 -36.2 63.8 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 112.134 0.42 . . . . 25.0 112.134 -174.342 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.418 ' C ' ' H ' ' A' ' 68' ' ' GLN . 20.6 mm100 46.67 37.71 4.92 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-O 122.081 0.943 . . . . 25.0 113.537 179.499 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 8.1 mmmm -77.82 31.78 0.17 Allowed 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 123.828 0.851 . . . . 25.0 110.497 177.248 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.418 ' H ' ' C ' ' A' ' 66' ' ' GLN . 85.9 mt-30 -125.2 75.62 1.47 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 122.652 1.215 . . . . 25.0 110.876 -178.191 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 . . . . . 0 N--CA 1.44 -0.941 0 CA-C-O 122.849 1.309 . . . . 25.0 109.153 174.102 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 60.8 mtt . . . . . 0 N--CA 1.509 2.489 0 CA-C-O 124.944 2.307 . . . . 25.0 113.496 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 72.0 mt-30 -103.74 145.6 29.84 Favored 'General case' 0 CA--C 1.518 -0.281 0 CA-C-N 114.036 -1.438 . . . . 25.0 107.279 169.762 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 16.6 pt20 -146.22 161.81 39.43 Favored 'General case' 0 C--O 1.215 -0.749 0 N-CA-C 109.772 -0.455 . . . . 25.0 109.772 -178.531 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 67.5 mttm 64.72 -45.48 0.32 Allowed 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 125.667 1.587 . . . . 25.0 114.845 -173.988 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -66.64 -22.66 66.1 Favored 'General case' 0 C--O 1.206 -1.21 0 C-N-CA 123.357 0.663 . . . . 25.0 110.429 173.237 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 35.5 mm-40 -58.53 -39.76 81.05 Favored 'General case' 0 C--O 1.217 -0.646 0 CA-C-O 122.618 1.199 . . . . 25.0 109.665 173.372 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 42.3 mt -73.36 -36.01 47.73 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.638 0 N-CA-C 107.128 -1.434 . . . . 25.0 107.128 -177.765 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 74.1 mtp -64.6 -42.94 95.22 Favored 'General case' 0 C--O 1.21 -0.992 0 O-C-N 121.025 -1.047 . . . . 25.0 111.969 177.924 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.97 -43.38 91.36 Favored 'General case' 0 N--CA 1.44 -0.955 0 O-C-N 122.022 -0.424 . . . . 25.0 110.442 177.406 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.03 -46.85 85.62 Favored 'General case' 0 CA--C 1.549 0.913 0 CA-C-O 121.037 0.446 . . . . 25.0 110.09 179.831 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 89.8 mt -67.19 -37.08 83.07 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-O 120.976 0.417 . . . . 25.0 111.095 -178.055 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 74.3 m-20 -65.79 -39.13 90.65 Favored 'General case' 0 C--O 1.216 -0.668 0 CA-C-N 116.505 -0.316 . . . . 25.0 110.184 -179.551 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 44.3 t -61.68 -45.5 93.72 Favored 'General case' 0 C--O 1.24 0.564 0 CA-C-O 121.602 0.715 . . . . 25.0 110.788 177.007 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 17.5 mm-40 -65.47 -24.34 67.14 Favored 'General case' 0 N--CA 1.474 0.769 0 N-CA-C 113.341 0.867 . . . . 25.0 113.341 -178.23 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 56.1 p -115.29 5.97 14.82 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 113.264 0.839 . . . . 25.0 113.264 -175.183 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -49.02 -66.97 0.31 Allowed 'General case' 0 N--CA 1.478 0.974 0 N-CA-C 113.781 1.03 . . . . 25.0 113.781 -174.586 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 8.8 p -70.09 -27.94 34.28 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 CA-C-O 121.241 0.544 . . . . 25.0 110.279 -178.131 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.1 tm0? -62.53 -49.72 74.2 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.222 -0.444 . . . . 25.0 111.647 -178.151 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 20.7 m-30 -81.63 -20.55 39.45 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.327 -0.397 . . . . 25.0 110.417 178.088 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.513 ' HA ' HD11 ' A' ' 38' ' ' ILE . 57.4 tt0 -59.93 -41.0 90.8 Favored 'General case' 0 C--O 1.218 -0.577 0 C-N-CA 120.276 -0.57 . . . . 25.0 112.368 176.432 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 90.7 mm-40 -69.97 -34.13 72.99 Favored 'General case' 0 C--O 1.216 -0.679 0 CA-C-N 118.373 0.533 . . . . 25.0 111.288 179.74 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 78.7 t80 -67.61 -40.02 84.74 Favored 'General case' 0 C--N 1.318 -0.788 0 O-C-N 121.849 -0.532 . . . . 25.0 110.195 176.175 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.486 ' HA ' HD23 ' A' ' 37' ' ' LEU . . . -62.98 -37.77 88.48 Favored 'General case' 0 CA--C 1.547 0.832 0 CA-C-O 121.594 0.712 . . . . 25.0 109.34 178.729 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.85 -26.91 67.87 Favored 'General case' 0 C--N 1.321 -0.637 0 O-C-N 121.699 -0.626 . . . . 25.0 111.071 178.402 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -83.14 -9.99 58.89 Favored 'General case' 0 N--CA 1.48 1.066 0 N-CA-C 112.497 0.555 . . . . 25.0 112.497 -179.855 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 9.4 mm-40 -103.29 -48.44 4.01 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 115.311 -0.859 . . . . 25.0 110.33 178.002 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -121.18 66.46 15.82 Favored Pre-proline 0 C--O 1.259 1.602 0 CA-C-O 121.744 0.783 . . . . 25.0 111.009 -178.807 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -68.95 138.58 40.81 Favored 'Trans proline' 0 C--O 1.219 -0.456 0 C-N-CA 116.056 -2.163 . . . . 25.0 111.343 -179.941 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 89.67 -7.73 81.26 Favored Glycine 0 CA--C 1.521 0.42 0 N-CA-C 114.64 0.616 . . . . 25.0 114.64 -179.947 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 19.6 m120 -120.41 82.7 1.94 Allowed 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 118.092 0.946 . . . . 25.0 111.609 -178.331 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 50.5 t80 -51.09 -45.74 61.59 Favored 'General case' 0 N--CA 1.471 0.575 0 N-CA-C 112.742 0.645 . . . . 25.0 112.742 179.538 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -65.18 -43.62 91.07 Favored 'General case' 0 C--N 1.328 -0.35 0 O-C-N 121.874 -0.516 . . . . 25.0 111.996 -176.97 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 88.1 mm-40 -67.88 -33.99 75.8 Favored 'General case' 0 C--O 1.22 -0.5 0 O-C-N 121.482 -0.761 . . . . 25.0 111.329 178.893 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 69.5 mt-30 -58.7 -37.67 76.59 Favored 'General case' 0 C--O 1.22 -0.458 0 CA-C-N 115.767 -0.651 . . . . 25.0 110.739 173.841 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -74.17 -36.73 64.08 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.847 0.832 . . . . 25.0 109.784 -177.304 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 95.5 mt -63.34 -41.39 92.58 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.591 0 CA-C-N 116.157 -0.474 . . . . 25.0 110.007 177.1 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.486 HD23 ' HA ' ' A' ' 23' ' ' ALA . 43.2 tp -60.41 -46.9 88.34 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.997 -0.281 . . . . 25.0 110.305 179.994 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.513 HD11 ' HA ' ' A' ' 20' ' ' GLN . 73.8 mt -59.38 -40.69 82.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 N-CA-C 113.607 0.965 . . . . 25.0 113.607 176.118 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 52.7 ttp180 -55.61 -40.43 72.06 Favored 'General case' 0 C--O 1.217 -0.614 0 CA-C-N 116.173 -0.467 . . . . 25.0 109.969 177.202 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 19.6 mm100 -77.81 -34.84 51.9 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 113.116 0.784 . . . . 25.0 113.116 178.716 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 85.9 mt -64.48 -42.42 95.89 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 120.606 -0.438 . . . . 25.0 110.823 179.725 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 -68.0 -28.68 67.63 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 121.048 -0.261 . . . . 25.0 110.754 -175.268 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -63.11 -43.72 97.66 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.176 -0.466 . . . . 25.0 110.56 175.618 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 44.6 tt0 -75.9 -35.49 59.8 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-O 121.294 0.569 . . . . 25.0 110.452 -177.579 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 64.2 m80 -70.23 -22.3 62.92 Favored 'General case' 0 N--CA 1.486 1.362 0 O-C-N 120.673 -1.267 . . . . 25.0 110.822 178.709 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 48.1 t80 -63.18 -34.84 78.51 Favored 'General case' 0 CA--C 1.514 -0.411 0 O-C-N 121.322 -0.861 . . . . 25.0 109.965 176.671 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -64.97 -42.68 94.35 Favored 'General case' 0 CA--C 1.506 -0.714 0 CA-C-N 115.176 -0.92 . . . . 25.0 110.593 178.655 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 39.2 tt0 -62.05 -41.51 98.21 Favored 'General case' 0 C--O 1.242 0.699 0 CA-C-O 122.322 1.058 . . . . 25.0 110.194 179.377 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 45.7 t80 -65.3 -39.62 92.74 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.617 -0.719 . . . . 25.0 110.024 179.405 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.46 -37.58 88.02 Favored 'General case' 0 N--CA 1.474 0.725 0 CA-C-N 115.895 -0.593 . . . . 25.0 109.681 177.163 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 67.0 tp60 -63.4 -43.29 97.96 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 109.589 -0.522 . . . . 25.0 109.589 179.026 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 68.9 tp60 -66.72 -39.29 87.95 Favored 'General case' 0 N--CA 1.449 -0.499 0 O-C-N 121.69 -0.631 . . . . 25.0 111.58 -179.872 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 32.9 mt -63.47 -31.88 73.17 Favored 'General case' 0 C--O 1.213 -0.825 0 C-N-CA 122.72 0.408 . . . . 25.0 111.624 179.295 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -70.31 -35.79 73.9 Favored 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 109.756 -0.461 . . . . 25.0 109.756 -178.176 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -67.7 -37.72 82.67 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-O 121.405 0.621 . . . . 25.0 109.451 177.473 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 77.8 t -68.76 -38.97 79.54 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 N-CA-C 109.333 -0.617 . . . . 25.0 109.333 178.542 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 -59.44 -50.27 74.57 Favored 'General case' 0 C--O 1.211 -0.943 0 CA-C-O 119.077 -0.487 . . . . 25.0 110.082 177.389 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 71.7 mt -63.7 -38.56 91.57 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 118.29 0.496 . . . . 25.0 111.496 -179.741 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -57.42 -42.82 83.11 Favored 'General case' 0 CA--C 1.512 -0.507 0 N-CA-C 109.993 -0.373 . . . . 25.0 109.993 178.983 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 67.2 mt-30 -71.23 -28.94 64.55 Favored 'General case' 0 CA--C 1.547 0.839 0 N-CA-C 112.52 0.563 . . . . 25.0 112.52 178.89 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 63.6 mt-30 -67.75 -40.21 84.13 Favored 'General case' 0 N--CA 1.47 0.549 0 O-C-N 121.27 -0.894 . . . . 25.0 109.749 171.921 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -65.62 -35.58 81.22 Favored 'General case' 0 C--O 1.249 1.029 0 CA-C-O 121.709 0.766 . . . . 25.0 110.249 177.483 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -66.26 -32.39 73.78 Favored 'General case' 0 CA--C 1.552 1.027 0 CA-C-N 115.036 -0.984 . . . . 25.0 110.028 179.45 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -82.21 -25.73 33.94 Favored 'General case' 0 C--O 1.207 -1.152 0 N-CA-C 109.918 -0.401 . . . . 25.0 109.918 179.563 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 31.1 mt -80.64 -44.24 19.17 Favored 'General case' 0 N--CA 1.448 -0.541 0 N-CA-C 112.438 0.533 . . . . 25.0 112.438 -176.981 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 12.0 mm100 48.68 28.79 1.94 Allowed 'General case' 0 C--O 1.213 -0.854 0 C-N-CA 123.875 0.87 . . . . 25.0 112.75 -177.632 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 6.0 tmtt? -119.7 18.65 12.64 Favored 'General case' 0 C--O 1.212 -0.896 0 O-C-N 121.85 -0.531 . . . . 25.0 109.976 -177.328 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 -127.48 63.68 1.35 Allowed 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.557 -0.747 . . . . 25.0 110.301 -175.897 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 67.9 mt-30 . . . . . 0 CA--C 1.561 1.375 0 CA-C-O 127.929 3.728 . . . . 25.0 111.647 -178.64 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.3 ttp . . . . . 0 N--CA 1.51 2.567 0 CA-C-O 123.9 1.809 . . . . 25.0 114.881 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 57.09 21.88 6.86 Favored 'General case' 0 CA--C 1.57 1.713 0 O-C-N 120.335 -1.478 . . . . 25.0 114.004 -177.149 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -85.89 64.08 8.4 Favored 'General case' 0 N--CA 1.432 -1.337 0 O-C-N 120.583 -1.323 . . . . 25.0 110.193 176.237 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 38.7 ttmt -51.4 -40.17 58.73 Favored 'General case' 0 C--O 1.218 -0.59 0 N-CA-C 114.221 1.193 . . . . 25.0 114.221 -178.537 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 80.7 mt-30 -67.93 -31.84 71.87 Favored 'General case' 0 C--N 1.316 -0.883 0 O-C-N 120.772 -1.205 . . . . 25.0 109.814 -174.151 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 83.2 mt-30 -71.48 -37.19 71.33 Favored 'General case' 0 C--O 1.199 -1.567 0 C-N-CA 120.444 -0.502 . . . . 25.0 111.733 178.545 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 30.3 mt -67.56 -40.69 84.76 Favored 'Isoleucine or valine' 0 C--O 1.262 1.717 0 N-CA-C 108.952 -0.759 . . . . 25.0 108.952 178.078 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.8 mmt -67.36 -36.49 81.49 Favored 'General case' 0 C--N 1.309 -1.162 0 O-C-N 124.183 0.927 . . . . 25.0 111.585 -178.795 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.48 -41.14 84.61 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-O 122.498 1.142 . . . . 25.0 108.847 177.455 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.96 -50.16 51.58 Favored 'General case' 0 N--CA 1.469 0.478 0 O-C-N 121.564 -0.71 . . . . 25.0 111.117 -178.973 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 87.8 mt -62.27 -33.65 75.03 Favored 'General case' 0 C--O 1.202 -1.409 0 CA-C-O 120.707 0.289 . . . . 25.0 110.459 178.18 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 8.2 m120 -69.43 -33.2 72.61 Favored 'General case' 0 N--CA 1.485 1.293 0 O-C-N 120.397 -1.439 . . . . 25.0 108.542 -179.636 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 73.3 m -68.83 -44.04 74.29 Favored 'General case' 0 N--CA 1.491 1.587 0 N-CA-C 108.059 -1.089 . . . . 25.0 108.059 -178.599 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 93.2 mm-40 -70.59 -17.49 62.9 Favored 'General case' 0 C--N 1.315 -0.928 0 N-CA-C 113.938 1.088 . . . . 25.0 113.938 -177.434 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 75.7 p -121.7 -1.67 9.46 Favored 'General case' 0 C--O 1.244 0.78 0 N-CA-C 116.771 2.138 . . . . 25.0 116.771 -175.556 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.72 -63.71 1.06 Allowed 'General case' 0 N--CA 1.491 1.603 0 N-CA-C 115.049 1.499 . . . . 25.0 115.049 -175.259 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.6 p -73.62 -25.07 20.46 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.027 0 O-C-N 121.229 -0.919 . . . . 25.0 110.162 -177.937 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 15.3 tt0 -67.57 -40.01 84.91 Favored 'General case' 0 C--N 1.313 -0.994 0 O-C-N 120.322 -1.486 . . . . 25.0 109.354 -177.197 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 17.8 m-30 -84.64 -20.32 31.52 Favored 'General case' 0 C--N 1.309 -1.19 0 CA-C-N 116.022 -0.535 . . . . 25.0 110.303 -179.021 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.522 ' HA ' HD11 ' A' ' 38' ' ' ILE . 28.6 tt0 -66.24 -41.42 90.04 Favored 'General case' 0 C--N 1.29 -1.988 0 N-CA-C 109.013 -0.736 . . . . 25.0 109.013 179.85 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 54.3 mt-30 -63.68 -37.49 87.53 Favored 'General case' 0 C--O 1.207 -1.151 0 N-CA-C 108.05 -1.093 . . . . 25.0 108.05 -177.33 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 79.9 t80 -68.56 -43.02 77.5 Favored 'General case' 0 CA--C 1.517 -0.294 0 N-CA-C 112.512 0.56 . . . . 25.0 112.512 176.773 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.52 -36.7 85.06 Favored 'General case' 0 C--O 1.248 1.017 0 N-CA-C 108.917 -0.772 . . . . 25.0 108.917 -179.653 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.35 -23.64 65.63 Favored 'General case' 0 C--N 1.319 -0.744 0 C-N-CA 118.732 -1.187 . . . . 25.0 112.813 176.471 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 19.6 tt0 -82.14 -27.12 32.94 Favored 'General case' 0 CA--C 1.557 1.221 0 N-CA-C 108.399 -0.963 . . . . 25.0 108.399 -178.555 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 74.0 mm-40 -84.99 -50.14 7.72 Favored 'General case' 0 N--CA 1.499 2.023 0 N-CA-C 113.618 0.97 . . . . 25.0 113.618 178.893 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 25.5 m-85 -119.45 69.47 11.45 Favored Pre-proline 0 N--CA 1.477 0.89 0 N-CA-C 107.676 -1.231 . . . . 25.0 107.676 -179.961 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -69.37 140.16 43.42 Favored 'Trans proline' 0 C--O 1.209 -0.927 0 C-N-CA 116.905 -1.597 . . . . 25.0 110.62 -171.026 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 81.1 -25.11 3.7 Favored Glycine 0 N--CA 1.44 -1.058 0 CA-C-O 117.136 -1.925 . . . . 25.0 116.863 -174.796 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -96.57 83.89 3.57 Favored 'General case' 0 C--O 1.24 0.555 0 CA-C-N 120.527 2.164 . . . . 25.0 112.381 -172.98 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 21.4 t80 -54.01 -49.53 68.68 Favored 'General case' 0 CA--C 1.549 0.928 0 CA-C-O 118.694 -0.669 . . . . 25.0 110.556 -175.148 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 26.4 pt-20 -56.52 -45.6 81.0 Favored 'General case' 0 CA--C 1.552 1.034 0 CA-C-N 120.125 1.33 . . . . 25.0 111.192 -178.845 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 97.3 mm-40 -68.05 -36.79 80.46 Favored 'General case' 0 C--O 1.24 0.582 0 N-CA-C 114.557 1.318 . . . . 25.0 114.557 177.404 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 70.1 mt-30 -57.13 -38.39 73.38 Favored 'General case' 0 C--O 1.26 1.615 0 O-C-N 124.659 1.225 . . . . 25.0 110.068 175.635 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 91.3 mm-40 -69.87 -41.24 75.09 Favored 'General case' 0 N--CA 1.447 -0.598 0 C-N-CA 119.998 -0.681 . . . . 25.0 109.893 -175.806 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 70.6 mt -61.02 -42.72 94.15 Favored 'Isoleucine or valine' 0 CA--C 1.576 1.981 0 CA-C-O 122.055 0.931 . . . . 25.0 109.904 -177.777 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 42.5 tp -62.09 -49.43 75.98 Favored 'General case' 0 N--CA 1.428 -1.528 0 CA-C-O 122.185 0.993 . . . . 25.0 113.061 179.1 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.522 HD11 ' HA ' ' A' ' 20' ' ' GLN . 33.0 mt -55.09 -42.63 65.98 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 114.538 -1.21 . . . . 25.0 108.945 177.722 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 73.8 mtp180 -64.35 -37.95 89.3 Favored 'General case' 0 N--CA 1.474 0.73 0 O-C-N 121.55 -0.719 . . . . 25.0 110.033 -178.858 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -62.82 -47.61 82.66 Favored 'General case' 0 C--N 1.297 -1.684 0 O-C-N 123.171 0.294 . . . . 25.0 111.714 176.071 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 35.3 mt -62.36 -27.3 68.97 Favored 'General case' 0 CA--C 1.549 0.926 0 N-CA-C 114.58 1.326 . . . . 25.0 114.58 179.294 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 92.1 mt-30 -73.3 -36.97 66.35 Favored 'General case' 0 CA--C 1.568 1.652 0 CA-C-N 115.233 -0.894 . . . . 25.0 111.351 177.65 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -62.96 -37.87 88.84 Favored 'General case' 0 N--CA 1.492 1.631 0 CA-C-N 116.172 -0.467 . . . . 25.0 111.666 172.924 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -65.27 -44.83 86.79 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-O 122.045 0.926 . . . . 25.0 110.738 174.089 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 78.0 t60 -59.67 -29.37 68.01 Favored 'General case' 0 N--CA 1.434 -1.234 0 N-CA-C 113.239 0.829 . . . . 25.0 113.239 175.889 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 62.6 t80 -63.24 -35.22 79.6 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 120.023 -1.673 . . . . 25.0 109.609 179.341 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 69.1 mt-30 -64.91 -40.06 94.49 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 114.904 -1.044 . . . . 25.0 110.382 176.136 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 8.2 mp0 -70.45 -34.99 73.07 Favored 'General case' 0 N--CA 1.447 -0.576 0 C-N-CA 118.029 -1.469 . . . . 25.0 109.538 179.934 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 17.8 t80 -60.03 -40.24 88.66 Favored 'General case' 0 C--O 1.211 -0.958 0 N-CA-C 113.426 0.899 . . . . 25.0 113.426 175.216 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 37.9 mmt -66.85 -36.36 82.16 Favored 'General case' 0 CA--C 1.508 -0.667 0 O-C-N 120.751 -1.218 . . . . 25.0 111.76 174.775 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 -66.49 -37.77 85.81 Favored 'General case' 0 C--O 1.258 1.544 0 O-C-N 124.578 1.174 . . . . 25.0 110.056 178.338 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 72.4 tp60 -69.96 -46.36 65.43 Favored 'General case' 0 C--N 1.307 -1.272 0 CA-C-O 118.466 -0.778 . . . . 25.0 110.387 174.856 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 47.9 mt -57.78 -35.14 70.38 Favored 'General case' 0 C--O 1.209 -1.069 0 CA-C-N 119.604 1.093 . . . . 25.0 111.23 -178.839 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -58.11 -42.13 85.05 Favored 'General case' 0 CA--C 1.55 0.964 0 N-CA-C 109.767 -0.457 . . . . 25.0 109.767 -178.377 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 52.5 mt-30 -70.81 -33.38 70.64 Favored 'General case' 0 C--N 1.297 -1.699 0 C-N-CA 123.323 0.649 . . . . 25.0 111.182 177.844 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 86.6 t -70.07 -33.58 55.7 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.729 0 N-CA-C 109.377 -0.601 . . . . 25.0 109.377 177.679 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -68.19 -45.72 72.63 Favored 'General case' 0 C--O 1.247 0.966 0 N-CA-C 107.069 -1.456 . . . . 25.0 107.069 179.945 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 24.0 mt -67.07 -32.98 74.52 Favored 'General case' 0 N--CA 1.434 -1.232 0 O-C-N 123.77 0.669 . . . . 25.0 110.702 178.351 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.45 -39.9 89.2 Favored 'General case' 0 C--O 1.253 1.281 0 O-C-N 121.969 -0.457 . . . . 25.0 110.713 173.76 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -69.15 -32.59 72.04 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-N 115.903 -0.59 . . . . 25.0 110.201 178.643 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -70.49 -46.38 63.84 Favored 'General case' 0 N--CA 1.443 -0.787 0 O-C-N 124.262 0.976 . . . . 25.0 111.361 -177.82 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -67.7 -27.27 66.68 Favored 'General case' 0 CA--C 1.569 1.675 0 C-N-CA 119.711 -0.796 . . . . 25.0 111.488 176.917 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.11 -22.3 59.53 Favored 'General case' 0 N--CA 1.496 1.859 0 C-N-CA 123.471 0.708 . . . . 25.0 110.442 -179.522 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -85.21 -30.03 24.21 Favored 'General case' 0 CA--C 1.547 0.844 0 O-C-N 124.426 1.079 . . . . 25.0 109.128 175.26 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 72.6 mt -84.81 -51.02 7.07 Favored 'General case' 0 N--CA 1.478 0.934 0 N-CA-C 113.163 0.801 . . . . 25.0 113.163 -179.542 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 16.8 mm100 48.28 45.48 20.17 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-O 122.746 1.26 . . . . 25.0 113.033 -175.808 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 12.6 mptt -108.27 3.29 23.4 Favored 'General case' 0 C--N 1.353 0.754 0 CA-C-N 113.346 -1.752 . . . . 25.0 112.191 176.906 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 86.5 mt-30 -125.07 98.29 5.61 Favored 'General case' 0 N--CA 1.489 1.496 0 CA-C-O 122.138 0.97 . . . . 25.0 109.999 173.84 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 36.7 tt0 . . . . . 0 C--O 1.186 -2.246 0 CA-C-O 125.444 2.545 . . . . 25.0 111.14 178.347 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 85.7 mmm . . . . . 0 N--CA 1.488 1.447 0 N-CA-C 115.038 1.495 . . . . 25.0 115.038 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 56.2 mt-30 -127.33 41.87 3.43 Favored 'General case' 0 N--CA 1.478 0.962 0 CA-C-N 113.75 -1.568 . . . . 25.0 110.182 -175.357 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 67.4 mt-30 -88.2 90.22 8.3 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 108.315 -0.994 . . . . 25.0 108.315 -179.684 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 18.1 ptmt -150.68 -34.63 0.16 Allowed 'General case' 0 CA--C 1.512 -0.509 0 N-CA-C 118.001 2.593 . . . . 25.0 118.001 -172.112 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 -62.01 -25.85 67.88 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 114.024 1.12 . . . . 25.0 114.024 179.919 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 90.6 mt-30 -66.36 -40.27 89.66 Favored 'General case' 0 C--O 1.205 -1.237 0 O-C-N 121.05 -1.031 . . . . 25.0 109.091 178.311 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 77.4 mt -64.82 -47.6 87.81 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.817 0 N-CA-C 107.016 -1.476 . . . . 25.0 107.016 -178.406 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 78.6 mtp -59.15 -46.78 87.49 Favored 'General case' 0 N--CA 1.427 -1.576 0 C-N-CA 120.186 -0.605 . . . . 25.0 111.092 -179.909 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.59 -37.75 82.39 Favored 'General case' 0 CA--C 1.555 1.146 0 N-CA-C 113.929 1.085 . . . . 25.0 113.929 -178.388 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.25 -44.88 82.46 Favored 'General case' 0 CA--C 1.497 -1.096 0 CA-C-N 116.391 -0.368 . . . . 25.0 110.299 176.897 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 98.0 mt -67.78 -41.35 83.39 Favored 'General case' 0 C--N 1.308 -1.207 0 O-C-N 124.343 1.027 . . . . 25.0 110.354 -177.946 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 96.0 m-20 -69.19 -27.76 65.78 Favored 'General case' 0 C--O 1.248 0.982 0 CA-C-N 115.857 -0.61 . . . . 25.0 110.999 -176.122 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.44 -22.86 65.49 Favored 'General case' 0 N--CA 1.483 1.213 0 N-CA-C 111.757 0.281 . . . . 25.0 111.757 -178.264 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 58.6 mm-40 -75.62 -19.86 58.92 Favored 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 112.888 0.699 . . . . 25.0 112.888 175.464 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 38.0 p -125.95 11.33 7.71 Favored 'General case' 0 N--CA 1.432 -1.343 0 CA-C-O 121.618 0.723 . . . . 25.0 112.582 -171.701 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.08 -65.06 0.62 Allowed 'General case' 0 C--O 1.248 0.992 0 C-N-CA 123.532 0.733 . . . . 25.0 111.882 -176.337 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.0 p -73.98 -25.88 20.64 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.855 0 CA-C-O 122.072 0.939 . . . . 25.0 111.796 -178.464 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 43.2 tt0 -62.81 -42.56 99.77 Favored 'General case' 0 C--O 1.216 -0.685 0 CA-C-O 121.971 0.891 . . . . 25.0 111.505 -179.903 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 18.8 m-30 -77.63 -25.84 50.05 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-O 117.532 -1.223 . . . . 25.0 111.043 177.095 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 55.5 tt0 -67.84 -45.06 75.69 Favored 'General case' 0 C--O 1.243 0.726 0 CA-C-O 121.799 0.809 . . . . 25.0 109.257 179.67 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 19.2 mm100 -64.19 -40.85 96.95 Favored 'General case' 0 N--CA 1.441 -0.904 0 CA-C-O 122.637 1.208 . . . . 25.0 110.297 178.01 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 87.1 t80 -64.44 -41.96 96.26 Favored 'General case' 0 N--CA 1.468 0.454 0 O-C-N 120.822 -1.174 . . . . 25.0 112.051 177.459 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.15 -41.37 88.14 Favored 'General case' 0 N--CA 1.434 -1.235 0 CA-C-O 119.48 -0.295 . . . . 25.0 110.872 -177.511 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.16 -26.11 65.6 Favored 'General case' 0 C--N 1.319 -0.749 0 O-C-N 125.726 1.891 . . . . 25.0 111.386 -177.737 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -75.4 -25.03 57.28 Favored 'General case' 0 CA--C 1.552 1.042 0 C-N-CA 123.517 0.727 . . . . 25.0 110.514 -179.427 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 83.2 mm-40 -95.66 -43.77 7.76 Favored 'General case' 0 CA--C 1.554 1.105 0 N-CA-C 114.221 1.193 . . . . 25.0 114.221 179.136 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -125.89 68.69 63.64 Favored Pre-proline 0 N--CA 1.47 0.54 0 CA-C-O 122.413 1.102 . . . . 25.0 111.211 -179.574 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 70.7 Cg_endo -72.07 143.54 40.54 Favored 'Trans proline' 0 CA--C 1.534 0.487 0 C-N-CA 116.567 -1.822 . . . . 25.0 112.743 -175.067 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.19 -3.43 58.16 Favored Glycine 0 C--O 1.267 2.215 0 C-N-CA 119.722 -1.227 . . . . 25.0 113.879 -176.749 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -117.35 85.12 2.27 Favored 'General case' 0 C--O 1.196 -1.753 0 CA-C-O 122.004 0.906 . . . . 25.0 111.398 176.323 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 26.4 t80 -54.94 -44.41 74.27 Favored 'General case' 0 C--O 1.21 -0.983 0 N-CA-C 113.301 0.852 . . . . 25.0 113.301 177.797 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -62.76 -42.55 99.73 Favored 'General case' 0 N--CA 1.48 1.053 0 N-CA-C 113.926 1.084 . . . . 25.0 113.926 -178.906 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 97.9 mm-40 -67.61 -34.58 77.29 Favored 'General case' 0 C--O 1.251 1.142 0 O-C-N 121.33 -0.856 . . . . 25.0 111.21 176.115 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 69.5 mt-30 -62.97 -35.91 81.73 Favored 'General case' 0 C--N 1.308 -1.222 0 CA-C-O 122.251 1.024 . . . . 25.0 110.924 178.042 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 40.5 mm-40 -70.24 -42.74 71.81 Favored 'General case' 0 C--O 1.2 -1.501 0 N-CA-C 107.675 -1.231 . . . . 25.0 107.675 179.582 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 68.6 mt -59.83 -39.94 81.32 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.518 0 CA-C-O 122.864 1.316 . . . . 25.0 109.888 -177.315 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 26.4 tp -64.59 -53.3 49.85 Favored 'General case' 0 C--O 1.206 -1.222 0 CA-C-N 114.818 -1.083 . . . . 25.0 112.086 -178.583 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 61.8 mt -53.68 -42.25 50.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 C-N-CA 123.522 0.729 . . . . 25.0 110.669 176.623 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 22.2 ttm180 -54.68 -45.61 73.94 Favored 'General case' 0 C--O 1.249 1.078 0 CA-C-N 118.116 0.417 . . . . 25.0 110.29 177.512 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 58.5 mt-30 -65.65 -40.7 92.74 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 113.804 1.038 . . . . 25.0 113.804 178.016 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 44.7 mt -65.82 -40.23 91.63 Favored 'General case' 0 CA--C 1.56 1.352 0 C-N-CA 119.308 -0.957 . . . . 25.0 109.212 -179.888 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 -61.31 -33.24 73.27 Favored 'General case' 0 C--N 1.309 -1.193 0 CA-C-N 116.122 -0.49 . . . . 25.0 112.03 175.764 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.424 ' HG2' HE21 ' A' ' 47' ' ' GLN . 31.9 tt0 -67.53 -42.7 82.31 Favored 'General case' 0 C--N 1.316 -0.878 0 O-C-N 121.351 -0.843 . . . . 25.0 112.641 177.339 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -61.21 -49.39 77.35 Favored 'General case' 0 C--N 1.353 0.732 0 CA-C-O 121.339 0.59 . . . . 25.0 109.815 177.406 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 11.7 t60 -63.81 -38.98 93.1 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-O 118.833 -0.603 . . . . 25.0 110.937 -178.485 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 38.1 t80 -63.6 -41.8 98.3 Favored 'General case' 0 CA--C 1.505 -0.766 0 N-CA-C 113.889 1.07 . . . . 25.0 113.889 176.133 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.424 HE21 ' HG2' ' A' ' 43' ' ' GLU . 59.6 mt-30 -64.13 -34.86 79.02 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 120.229 -0.589 . . . . 25.0 111.879 177.579 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.9 tp-100 -61.14 -41.58 96.99 Favored 'General case' 0 C--N 1.314 -0.968 0 C-N-CA 120.132 -0.627 . . . . 25.0 110.39 178.308 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 28.7 t80 -72.12 -38.44 69.28 Favored 'General case' 0 C--N 1.344 0.35 0 CA-C-O 122.089 0.947 . . . . 25.0 110.408 -178.093 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 30.3 mmt -59.65 -33.58 71.72 Favored 'General case' 0 C--O 1.197 -1.666 0 CA-C-N 115.437 -0.801 . . . . 25.0 110.683 174.539 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 55.3 tt0 -67.53 -39.57 85.04 Favored 'General case' 0 CA--C 1.557 1.234 0 C-N-CA 118.465 -1.294 . . . . 25.0 110.496 -175.855 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 58.3 tt0 -59.42 -53.47 57.85 Favored 'General case' 0 C--N 1.313 -0.994 0 O-C-N 121.237 -0.915 . . . . 25.0 109.275 173.841 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.0 mt -64.56 -27.56 69.04 Favored 'General case' 0 C--O 1.198 -1.65 0 O-C-N 122.045 -0.409 . . . . 25.0 110.375 -172.576 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -60.0 -44.52 94.5 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 109.178 -0.675 . . . . 25.0 109.178 175.938 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -71.23 -40.76 70.87 Favored 'General case' 0 C--O 1.248 0.98 0 N-CA-C 108.945 -0.761 . . . . 25.0 108.945 -177.845 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 90.7 t -60.11 -38.54 77.35 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.154 0 CA-C-O 117.78 -1.105 . . . . 25.0 110.543 173.6 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 7.7 mm100 -63.65 -42.68 98.08 Favored 'General case' 0 C--O 1.208 -1.093 0 CA-C-N 120.117 1.326 . . . . 25.0 109.192 -179.822 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 93.5 mt -64.81 -46.82 80.39 Favored 'General case' 0 N--CA 1.446 -0.668 0 CA-C-O 118.561 -0.733 . . . . 25.0 109.214 178.906 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -49.71 -51.04 41.46 Favored 'General case' 0 C--O 1.253 1.281 0 N-CA-C 111.988 0.366 . . . . 25.0 111.988 176.337 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 -66.84 -32.95 74.57 Favored 'General case' 0 C--O 1.194 -1.835 0 N-CA-C 113.41 0.893 . . . . 25.0 113.41 -178.537 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -71.99 -37.08 69.92 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 119.3 0.954 . . . . 25.0 111.747 176.363 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -66.96 -35.11 79.25 Favored 'General case' 0 CA--C 1.505 -0.766 0 CA-C-N 120.061 1.3 . . . . 25.0 111.186 175.467 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.39 -34.9 74.57 Favored 'General case' 0 C--O 1.212 -0.885 0 C-N-CA 120.253 -0.579 . . . . 25.0 111.568 172.932 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -80.85 -35.97 32.07 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 120.724 -1.235 . . . . 25.0 111.581 179.928 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 63.5 mt -71.61 -23.18 61.67 Favored 'General case' 0 C--O 1.254 1.297 0 N-CA-C 113.03 0.752 . . . . 25.0 113.03 -176.513 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -106.36 31.37 5.23 Favored 'General case' 0 C--O 1.215 -0.729 0 CA-C-N 115.182 -0.917 . . . . 25.0 112.825 179.476 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -115.31 25.85 10.53 Favored 'General case' 0 N--CA 1.492 1.65 0 C-N-CA 125.559 1.543 . . . . 25.0 114.599 -175.757 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 63.8 mt-30 50.33 65.47 1.43 Allowed 'General case' 0 CA--C 1.538 0.503 0 CA-C-O 123.375 1.56 . . . . 25.0 112.368 178.883 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 4.2 pm0 . . . . . 0 C--O 1.192 -1.924 0 N-CA-C 115.808 1.781 . . . . 25.0 115.808 176.655 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 40.8 tpp . . . . . 0 N--CA 1.477 0.89 0 CA-C-O 125.843 2.735 . . . . 25.0 114.189 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 22.2 tm0? -103.36 -36.45 8.02 Favored 'General case' 0 C--N 1.353 0.748 0 CA-C-N 111.773 -2.467 . . . . 25.0 112.918 179.85 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -76.85 116.91 17.93 Favored 'General case' 0 N--CA 1.434 -1.249 0 C-N-CA 120.29 -0.564 . . . . 25.0 109.858 -176.133 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -116.48 -37.18 3.78 Favored 'General case' 0 C--O 1.241 0.611 0 N-CA-C 113.645 0.98 . . . . 25.0 113.645 -178.518 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 68.5 mt-30 -65.57 -30.43 71.16 Favored 'General case' 0 C--N 1.306 -1.312 0 CA-C-N 114.297 -1.32 . . . . 25.0 112.433 176.601 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 9.6 mm-40 -58.49 -39.0 78.79 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.28 -0.418 . . . . 25.0 111.965 171.997 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 56.6 mt -71.74 -40.86 70.39 Favored 'Isoleucine or valine' 0 C--N 1.351 0.664 0 N-CA-C 104.028 -2.582 . . . . 25.0 104.028 -173.611 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 61.5 mtp -64.32 -37.07 86.18 Favored 'General case' 0 CA--C 1.507 -0.689 0 N-CA-C 109.723 -0.473 . . . . 25.0 109.723 -177.107 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.15 -33.98 77.3 Favored 'General case' 0 CA--C 1.543 0.702 0 O-C-N 125.548 1.78 . . . . 25.0 110.388 177.301 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.91 -46.28 68.72 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.548 -0.751 . . . . 25.0 110.745 177.423 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 95.0 mt -63.19 -38.27 90.53 Favored 'General case' 0 C--O 1.207 -1.145 0 C-N-CA 123.745 0.818 . . . . 25.0 109.237 178.103 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -60.57 -38.3 84.12 Favored 'General case' 0 C--N 1.313 -1.018 0 CA-C-O 118.969 -0.539 . . . . 25.0 111.139 -179.951 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 14.7 t -63.46 -37.6 87.92 Favored 'General case' 0 C--O 1.205 -1.249 0 N-CA-C 112.924 0.713 . . . . 25.0 112.924 176.45 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -69.86 -31.36 69.15 Favored 'General case' 0 C--O 1.205 -1.241 0 N-CA-C 115.334 1.605 . . . . 25.0 115.334 179.204 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 72.7 p -114.8 3.9 14.79 Favored 'General case' 0 C--O 1.2 -1.524 0 N-CA-C 113.936 1.087 . . . . 25.0 113.936 -171.045 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -48.54 -64.18 0.87 Allowed 'General case' 0 CA--C 1.547 0.845 0 O-C-N 121.138 -0.976 . . . . 25.0 113.465 -173.62 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 11.3 p -76.23 -29.08 18.89 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.081 0 O-C-N 121.914 -0.491 . . . . 25.0 111.732 -179.072 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 55.9 tt0 -62.58 -45.12 94.34 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 108.106 -1.072 . . . . 25.0 108.106 -178.34 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 14.1 m-30 -75.91 -25.47 56.05 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-O 118.963 -0.541 . . . . 25.0 112.391 176.143 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -64.8 -44.19 90.72 Favored 'General case' 0 CA--C 1.569 1.692 0 C-N-CA 120.386 -0.525 . . . . 25.0 110.567 177.096 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -63.43 -40.87 98.33 Favored 'General case' 0 C--O 1.245 0.848 0 N-CA-C 113.636 0.976 . . . . 25.0 113.636 176.45 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 89.2 t80 -65.89 -41.11 91.95 Favored 'General case' 0 N--CA 1.439 -1.001 0 N-CA-C 113.161 0.8 . . . . 25.0 113.161 173.827 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -68.06 -35.59 78.47 Favored 'General case' 0 CA--C 1.559 1.312 0 CA-C-O 121.773 0.797 . . . . 25.0 111.016 -178.602 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.71 -27.14 65.68 Favored 'General case' 0 N--CA 1.476 0.872 0 O-C-N 120.786 -1.196 . . . . 25.0 113.244 173.511 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -72.76 -20.68 61.14 Favored 'General case' 0 C--O 1.244 0.794 0 N-CA-C 113.261 0.838 . . . . 25.0 113.261 175.222 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 83.1 mm-40 -99.85 -40.6 7.62 Favored 'General case' 0 N--CA 1.496 1.865 0 CA-C-O 122.773 1.273 . . . . 25.0 114.112 -177.238 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 22.8 m-85 -126.44 67.24 64.89 Favored Pre-proline 0 N--CA 1.496 1.83 0 CA-C-N 114.9 -1.046 . . . . 25.0 112.335 -179.452 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -69.0 138.43 40.2 Favored 'Trans proline' 0 CA--C 1.548 1.187 0 C-N-CA 118.591 -0.473 . . . . 25.0 113.319 -174.571 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.44 3.73 83.16 Favored Glycine 0 CA--C 1.537 1.452 0 O-C-N 120.249 -1.532 . . . . 25.0 113.238 -179.923 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -121.42 86.81 2.64 Favored 'General case' 0 N--CA 1.474 0.772 0 O-C-N 120.403 -1.645 . . . . 25.0 111.125 -179.808 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 47.0 t80 -58.74 -47.06 85.92 Favored 'General case' 0 N--CA 1.515 2.782 0 N-CA-C 113.146 0.795 . . . . 25.0 113.146 178.333 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -62.63 -38.37 89.97 Favored 'General case' 0 C--O 1.192 -1.938 0 O-C-N 121.052 -1.03 . . . . 25.0 111.967 179.766 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 97.3 mm-40 -71.55 -35.27 70.56 Favored 'General case' 0 CA--C 1.495 -1.138 0 O-C-N 120.338 -1.476 . . . . 25.0 113.397 -179.933 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 71.3 mt-30 -59.31 -40.49 86.37 Favored 'General case' 0 C--O 1.252 1.186 0 CA-C-N 114.533 -1.212 . . . . 25.0 111.195 175.687 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 63.8 mm-40 -65.7 -43.15 90.06 Favored 'General case' 0 CA--C 1.546 0.8 0 CA-C-O 121.311 0.577 . . . . 25.0 109.562 -177.936 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 93.3 mt -60.1 -45.74 95.31 Favored 'Isoleucine or valine' 0 C--O 1.248 1.019 0 N-CA-C 107.652 -1.24 . . . . 25.0 107.652 -178.916 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 34.8 tp -60.42 -47.24 86.95 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-O 118.386 -0.816 . . . . 25.0 111.897 178.598 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 61.7 mt -57.53 -40.48 75.11 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 CA-C-N 119.484 1.038 . . . . 25.0 110.274 179.887 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.2 -36.21 74.96 Favored 'General case' 0 N--CA 1.475 0.778 0 O-C-N 123.594 0.559 . . . . 25.0 110.842 178.834 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -74.26 -44.3 53.49 Favored 'General case' 0 CA--C 1.501 -0.923 0 C-N-CA 120.179 -0.608 . . . . 25.0 111.136 177.883 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 97.6 mt -60.99 -38.3 85.53 Favored 'General case' 0 N--CA 1.438 -1.052 0 C-N-CA 120.269 -0.573 . . . . 25.0 110.952 -173.978 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 34.9 mm-40 -64.14 -40.15 95.54 Favored 'General case' 0 C--O 1.222 -0.352 0 O-C-N 120.629 -1.294 . . . . 25.0 109.607 -179.612 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -77.38 -29.88 53.42 Favored 'General case' 0 N--CA 1.485 1.295 0 O-C-N 120.634 -1.291 . . . . 25.0 110.036 -176.88 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 77.4 mm-40 -68.15 -44.16 76.65 Favored 'General case' 0 N--CA 1.492 1.629 0 N-CA-C 108.047 -1.094 . . . . 25.0 108.047 179.3 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 25.7 t60 -64.1 -40.26 95.84 Favored 'General case' 0 C--O 1.249 1.037 0 CA-C-O 120.906 0.384 . . . . 25.0 110.934 173.954 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 69.8 t80 -60.83 -34.27 74.31 Favored 'General case' 0 C--O 1.241 0.642 0 N-CA-C 113.272 0.841 . . . . 25.0 113.272 -176.658 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -67.64 -43.94 79.12 Favored 'General case' 0 N--CA 1.501 2.098 0 C-N-CA 119.738 -0.785 . . . . 25.0 109.637 -179.2 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 49.6 tt0 -66.12 -37.09 84.87 Favored 'General case' 0 C--O 1.213 -0.827 0 CA-C-N 116.357 -0.383 . . . . 25.0 110.071 178.188 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 41.5 t80 -61.47 -48.32 81.67 Favored 'General case' 0 C--O 1.203 -1.369 0 C-N-CA 123.39 0.676 . . . . 25.0 109.841 175.877 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.73 -39.55 91.96 Favored 'General case' 0 C--O 1.206 -1.192 0 CA-C-N 118.72 0.691 . . . . 25.0 111.742 177.605 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -70.72 -37.71 73.53 Favored 'General case' 0 CA--C 1.554 1.124 0 N-CA-C 109.403 -0.591 . . . . 25.0 109.403 -179.795 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 7.3 tp60 -65.82 -44.71 84.76 Favored 'General case' 0 C--N 1.31 -1.134 0 N-CA-C 108.055 -1.091 . . . . 25.0 108.055 179.513 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 19.7 mt -58.61 -27.71 64.92 Favored 'General case' 0 C--O 1.201 -1.457 0 N-CA-C 113.834 1.049 . . . . 25.0 113.834 177.629 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -67.81 -40.26 83.88 Favored 'General case' 0 CA--C 1.542 0.658 0 N-CA-C 108.975 -0.75 . . . . 25.0 108.975 178.628 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 -70.94 -34.4 71.45 Favored 'General case' 0 CA--C 1.494 -1.183 0 C-N-CA 123.473 0.709 . . . . 25.0 111.041 178.468 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 83.7 t -67.75 -40.52 83.98 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 CA-C-N 115.603 -0.726 . . . . 25.0 110.427 177.762 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.11 -42.67 91.08 Favored 'General case' 0 CA--C 1.473 -1.999 0 CA-C-O 121.216 0.532 . . . . 25.0 110.495 174.658 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 75.7 mt -67.93 -35.8 79.05 Favored 'General case' 0 C--O 1.217 -0.643 0 C-N-CA 119.515 -0.874 . . . . 25.0 111.602 178.796 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.17 -36.4 81.76 Favored 'General case' 0 N--CA 1.481 1.109 0 N-CA-C 108.447 -0.946 . . . . 25.0 108.447 176.616 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -74.52 -37.1 63.18 Favored 'General case' 0 C--O 1.211 -0.922 0 O-C-N 121.251 -0.906 . . . . 25.0 111.157 -179.714 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -64.66 -46.88 80.59 Favored 'General case' 0 C--O 1.198 -1.625 0 CA-C-O 121.035 0.445 . . . . 25.0 110.406 176.769 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.62 -32.43 74.01 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 118.283 -1.367 . . . . 25.0 113.193 -178.41 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -66.31 -27.79 68.18 Favored 'General case' 0 CA--C 1.547 0.855 0 CA-C-O 121.366 0.603 . . . . 25.0 111.056 176.98 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -80.91 -35.19 32.76 Favored 'General case' 0 CA--C 1.555 1.148 0 O-C-N 120.929 -1.107 . . . . 25.0 110.39 174.985 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 59.8 mt -79.68 -38.5 33.43 Favored 'General case' 0 C--O 1.208 -1.089 0 CA-C-O 117.501 -1.237 . . . . 25.0 113.185 -174.08 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 44.18 49.64 7.65 Favored 'General case' 0 C--O 1.221 -0.398 0 CA-C-O 122.498 1.142 . . . . 25.0 112.055 -177.667 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 51.4 mttm -128.61 38.5 3.95 Favored 'General case' 0 C--O 1.256 1.398 0 CA-C-N 114.187 -1.37 . . . . 25.0 113.074 -179.79 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -84.77 74.65 10.43 Favored 'General case' 0 C--N 1.365 1.263 0 N-CA-C 107.102 -1.444 . . . . 25.0 107.102 177.637 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 . . . . . 0 C--O 1.217 -0.622 0 CA-C-O 127.043 3.306 . . . . 25.0 110.398 -172.893 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.5 ptp . . . . . 0 N--CA 1.502 2.14 0 N-CA-C 116.732 2.123 . . . . 25.0 116.732 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -71.07 -12.13 61.34 Favored 'General case' 0 C--N 1.369 1.42 0 CA-C-N 113.76 -1.564 . . . . 25.0 112.065 -176.986 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 65.1 mt-30 -61.8 127.25 30.54 Favored 'General case' 0 C--O 1.213 -0.852 0 N-CA-C 112.059 0.392 . . . . 25.0 112.059 -178.502 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 62.7 mttp -67.3 -32.75 73.95 Favored 'General case' 0 C--O 1.2 -1.531 0 N-CA-C 114.022 1.119 . . . . 25.0 114.022 176.076 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 28.2 tt0 -66.12 -28.98 69.21 Favored 'General case' 0 N--CA 1.439 -0.98 0 CA-C-O 119.248 -0.406 . . . . 25.0 111.325 -172.737 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 19.0 mm100 -61.2 -36.85 81.0 Favored 'General case' 0 C--O 1.211 -0.965 0 CA-C-O 118.72 -0.657 . . . . 25.0 112.209 175.077 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 35.4 mt -69.63 -46.02 76.38 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.9 0 C-N-CA 123.26 0.624 . . . . 25.0 109.91 176.32 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 73.6 mtp -65.88 -31.43 72.37 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.06 -0.973 . . . . 25.0 111.61 -177.29 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.87 -38.39 88.69 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.066 -0.716 . . . . 25.0 109.066 175.654 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.86 -44.67 72.87 Favored 'General case' 0 CA--C 1.532 0.256 0 O-C-N 121.109 -0.994 . . . . 25.0 108.51 -178.647 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 80.0 mt -63.21 -36.91 85.2 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-O 118.444 -0.789 . . . . 25.0 110.069 179.024 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -54.09 -40.18 67.01 Favored 'General case' 0 C--N 1.312 -1.045 0 CA-C-O 121.941 0.877 . . . . 25.0 111.416 172.878 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 14.8 m -75.14 -44.88 44.49 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 119.021 -1.072 . . . . 25.0 108.771 -176.566 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -67.25 -37.83 84.15 Favored 'General case' 0 C--O 1.196 -1.741 0 N-CA-C 112.927 0.714 . . . . 25.0 112.927 -173.941 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 75.3 p -106.0 11.65 31.36 Favored 'General case' 0 CA--C 1.502 -0.884 0 N-CA-C 116.225 1.935 . . . . 25.0 116.225 -175.337 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -49.84 -70.51 0.09 Allowed 'General case' 0 CA--C 1.552 1.031 0 N-CA-C 114.316 1.228 . . . . 25.0 114.316 178.601 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 4.5 p -71.58 -26.92 27.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-O 123.31 1.529 . . . . 25.0 110.442 -174.861 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 40.8 tt0 -62.23 -48.97 77.6 Favored 'General case' 0 CA--C 1.557 1.239 0 CA-C-N 113.888 -1.505 . . . . 25.0 107.072 -176.149 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 12.0 m-30 -81.75 -22.71 37.1 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 120.687 -1.258 . . . . 25.0 112.022 -179.239 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -61.76 -27.83 69.01 Favored 'General case' 0 CA--C 1.569 1.689 0 CA-C-O 122.021 0.915 . . . . 25.0 113.435 -177.903 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -58.91 -41.61 87.67 Favored 'General case' 0 C--O 1.259 1.561 0 O-C-N 120.187 -1.57 . . . . 25.0 112.162 177.072 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 72.0 t80 -74.68 -35.17 62.78 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 123.775 0.83 . . . . 25.0 112.994 173.665 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.02 -40.87 97.3 Favored 'General case' 0 C--O 1.213 -0.829 0 C-N-CA 120.774 -0.37 . . . . 25.0 110.024 -179.342 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -73.25 -25.03 60.55 Favored 'General case' 0 N--CA 1.48 1.064 0 O-C-N 124.315 1.009 . . . . 25.0 111.693 -179.66 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 66.4 tt0 -71.05 -25.94 62.87 Favored 'General case' 0 CA--C 1.564 1.518 0 O-C-N 123.744 0.652 . . . . 25.0 110.044 175.232 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 11.5 mm100 -96.46 -46.58 6.31 Favored 'General case' 0 C--N 1.313 -0.995 0 O-C-N 124.1 0.875 . . . . 25.0 112.9 -178.956 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 30.3 m-85 -120.64 70.94 18.33 Favored Pre-proline 0 CA--C 1.562 1.409 0 CA-C-O 121.392 0.615 . . . . 25.0 112.049 179.611 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -67.54 137.29 42.25 Favored 'Trans proline' 0 C--O 1.199 -1.462 0 O-C-N 119.222 -0.988 . . . . 25.0 114.375 -177.662 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 76.86 -13.73 8.38 Favored Glycine 0 CA--C 1.565 3.208 0 N-CA-C 115.94 1.136 . . . . 25.0 115.94 -176.032 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 11.8 m120 -99.53 84.83 3.03 Favored 'General case' 0 C--N 1.309 -1.19 0 O-C-N 120.644 -1.504 . . . . 25.0 109.661 -177.552 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 55.3 t80 -51.88 -48.77 63.93 Favored 'General case' 0 N--CA 1.489 1.476 0 N-CA-C 114.084 1.142 . . . . 25.0 114.084 174.297 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -61.26 -40.94 95.96 Favored 'General case' 0 C--O 1.204 -1.309 0 C-N-CA 118.408 -1.317 . . . . 25.0 112.774 -177.831 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 -69.43 -35.89 76.12 Favored 'General case' 0 C--N 1.318 -0.761 0 O-C-N 121.66 -0.65 . . . . 25.0 110.933 -178.893 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 67.8 mt-30 -60.15 -36.56 77.8 Favored 'General case' 0 CA--C 1.504 -0.815 0 CA-C-N 115.462 -0.79 . . . . 25.0 109.824 174.717 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 85.8 mm-40 -70.3 -40.3 74.34 Favored 'General case' 0 N--CA 1.487 1.399 0 N-CA-C 108.421 -0.955 . . . . 25.0 108.421 -177.306 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 84.4 mt -60.69 -42.37 91.73 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.709 0 C-N-CA 123.664 0.786 . . . . 25.0 109.044 -178.32 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 13.2 tp -67.7 -48.94 65.12 Favored 'General case' 0 C--O 1.21 -1.02 0 CA-C-N 115.29 -0.868 . . . . 25.0 110.543 -177.345 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 67.5 mt -53.76 -47.97 61.87 Favored 'Isoleucine or valine' 0 C--O 1.248 1.009 0 C-N-CA 123.484 0.713 . . . . 25.0 110.61 175.563 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 8.0 tmm_? -58.05 -40.67 81.52 Favored 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 119.836 -0.745 . . . . 25.0 110.618 175.9 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 38.5 tt0 -61.37 -46.44 90.17 Favored 'General case' 0 C--O 1.225 -0.227 0 O-C-N 119.562 -1.961 . . . . 25.0 112.901 176.127 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 47.4 mt -59.27 -42.51 91.37 Favored 'General case' 0 C--N 1.3 -1.549 0 N-CA-C 113.481 0.919 . . . . 25.0 113.481 178.721 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -65.4 -35.77 81.96 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.507 -0.77 . . . . 25.0 112.529 175.733 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 87.9 mt-10 -72.36 -33.93 67.62 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 118.813 -1.155 . . . . 25.0 109.802 -178.243 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 4.2 tp60 -66.7 -38.03 85.93 Favored 'General case' 0 CA--C 1.544 0.746 0 CA-C-O 121.824 0.821 . . . . 25.0 109.813 175.186 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 46.0 t-80 -67.86 -39.73 83.73 Favored 'General case' 0 C--O 1.21 -1.015 0 CA-C-O 122.154 0.978 . . . . 25.0 111.804 179.919 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 23.4 t80 -57.2 -31.21 65.22 Favored 'General case' 0 C--N 1.353 0.759 0 O-C-N 121.657 -0.652 . . . . 25.0 110.074 179.032 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -63.41 -44.88 93.39 Favored 'General case' 0 C--O 1.258 1.519 0 O-C-N 121.503 -0.748 . . . . 25.0 110.599 176.729 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -69.45 -32.0 70.66 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 109.131 -0.692 . . . . 25.0 109.131 178.912 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 24.8 t80 -64.69 -37.9 89.15 Favored 'General case' 0 C--O 1.256 1.43 0 CA-C-O 121.394 0.616 . . . . 25.0 111.39 176.114 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.75 -36.79 67.77 Favored 'General case' 0 CA--C 1.492 -1.26 0 CA-C-N 114.719 -1.128 . . . . 25.0 112.688 175.927 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.24 -46.11 81.91 Favored 'General case' 0 N--CA 1.471 0.605 0 O-C-N 124.494 1.121 . . . . 25.0 109.484 -177.968 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -60.77 -42.38 97.39 Favored 'General case' 0 C--N 1.32 -0.688 0 O-C-N 122.305 -0.247 . . . . 25.0 110.59 177.71 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 29.8 mt -63.19 -33.12 74.8 Favored 'General case' 0 N--CA 1.444 -0.735 0 N-CA-C 112.745 0.646 . . . . 25.0 112.745 178.592 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -63.0 -38.93 93.16 Favored 'General case' 0 C--N 1.322 -0.607 0 O-C-N 121.034 -1.041 . . . . 25.0 110.624 178.04 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 69.8 mt-30 -70.81 -32.06 69.01 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 119.834 -0.746 . . . . 25.0 109.623 176.419 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 41.9 t -73.08 -36.14 49.89 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.276 0 N-CA-C 107.09 -1.448 . . . . 25.0 107.09 -174.056 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 68.6 mt-30 -64.52 -47.31 79.35 Favored 'General case' 0 C--O 1.177 -2.717 0 CA-C-N 115.376 -0.829 . . . . 25.0 110.614 177.261 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 68.9 mt -63.19 -30.27 71.45 Favored 'General case' 0 C--N 1.293 -1.866 0 N-CA-C 113.264 0.838 . . . . 25.0 113.264 176.512 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.1 -42.8 99.67 Favored 'General case' 0 CA--C 1.5 -0.95 0 C-N-CA 120.485 -0.486 . . . . 25.0 110.233 173.412 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -69.18 -40.35 78.16 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 118.615 -1.234 . . . . 25.0 110.064 -179.801 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 43.8 mm-40 -59.2 -52.89 63.75 Favored 'General case' 0 N--CA 1.484 1.236 0 CA-C-O 121.407 0.622 . . . . 25.0 110.558 178.635 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -64.81 -27.84 69.16 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 115.105 1.52 . . . . 25.0 115.105 -176.718 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -71.99 -27.78 62.97 Favored 'General case' 0 C--N 1.307 -1.274 0 O-C-N 123.613 0.57 . . . . 25.0 110.517 176.461 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -76.84 -42.74 39.03 Favored 'General case' 0 C--O 1.218 -0.554 0 N-CA-C 108.272 -1.01 . . . . 25.0 108.272 174.796 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 47.5 mt -71.18 -32.08 68.43 Favored 'General case' 0 N--CA 1.48 1.074 0 N-CA-C 114.818 1.414 . . . . 25.0 114.818 -175.385 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 17.2 pt20 30.26 48.57 0.06 Allowed 'General case' 0 N--CA 1.492 1.672 0 C-N-CA 126.088 1.755 . . . . 25.0 113.725 -178.16 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -85.99 22.16 1.78 Allowed 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 114.267 -1.333 . . . . 25.0 112.726 -178.05 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -124.97 90.3 3.22 Favored 'General case' 0 C--O 1.208 -1.099 0 CA-C-O 123.055 1.407 . . . . 25.0 107.211 -179.558 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 47.2 tt0 . . . . . 0 C--O 1.187 -2.227 0 CA-C-O 125.315 2.483 . . . . 25.0 110.226 -178.688 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.9 ptm . . . . . 0 N--CA 1.531 3.605 0 N-CA-C 115.912 1.819 . . . . 25.0 115.912 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 68.2 mt-30 -126.03 33.78 4.99 Favored 'General case' 0 N--CA 1.482 1.129 0 O-C-N 119.908 -1.745 . . . . 25.0 112.428 -176.856 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 7.1 tp-100 -135.29 103.9 5.68 Favored 'General case' 0 CA--C 1.548 0.903 0 N-CA-C 113.237 0.828 . . . . 25.0 113.237 -175.006 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.14 -27.09 63.45 Favored 'General case' 0 N--CA 1.446 -0.631 0 N-CA-C 113.883 1.068 . . . . 25.0 113.883 -179.977 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -68.39 -27.32 66.11 Favored 'General case' 0 CA--C 1.505 -0.787 0 O-C-N 121.307 -0.871 . . . . 25.0 111.454 -177.952 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 -62.12 -40.35 95.61 Favored 'General case' 0 CA--C 1.559 1.314 0 N-CA-C 109.614 -0.513 . . . . 25.0 109.614 176.024 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 46.0 mt -73.87 -35.37 42.62 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.298 0 CA-C-N 115.863 -0.608 . . . . 25.0 110.379 -179.814 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 83.0 mtp -65.97 -35.35 80.34 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 119.897 -0.721 . . . . 25.0 111.673 176.98 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.26 -35.21 80.33 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 109.446 -0.576 . . . . 25.0 109.446 179.195 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.26 -49.31 64.83 Favored 'General case' 0 C--O 1.246 0.884 0 C-N-CA 120.631 -0.427 . . . . 25.0 110.146 177.086 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 94.8 mt -61.3 -30.27 70.38 Favored 'General case' 0 N--CA 1.481 1.107 0 N-CA-C 112.554 0.576 . . . . 25.0 112.554 178.693 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -64.0 -38.02 89.56 Favored 'General case' 0 CA--C 1.5 -0.951 0 N-CA-C 108.605 -0.887 . . . . 25.0 108.605 -177.677 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 15.4 t -69.08 -35.67 76.75 Favored 'General case' 0 C--O 1.223 -0.33 0 N-CA-C 111.905 0.335 . . . . 25.0 111.905 -177.661 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -72.13 -39.45 68.82 Favored 'General case' 0 C--O 1.217 -0.627 0 N-CA-C 113.363 0.875 . . . . 25.0 113.363 -178.484 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 76.5 p -109.24 11.33 25.46 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 115.527 1.677 . . . . 25.0 115.527 -170.802 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.47 -64.75 0.81 Allowed 'General case' 0 N--CA 1.478 0.972 0 O-C-N 121.52 -0.737 . . . . 25.0 111.42 -174.686 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 5.4 p -70.6 -24.32 25.16 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.831 0 O-C-N 121.579 -0.7 . . . . 25.0 110.07 -178.755 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 -64.15 -45.71 87.3 Favored 'General case' 0 C--N 1.317 -0.823 0 C-N-CA 122.876 0.47 . . . . 25.0 111.766 177.672 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 21.5 m-30 -83.84 -24.47 30.92 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 112.48 0.548 . . . . 25.0 112.48 177.553 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 46.4 tt0 -61.03 -42.57 98.72 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-O 121.329 0.585 . . . . 25.0 112.509 178.04 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 25.7 mm100 -70.69 -32.19 69.33 Favored 'General case' 0 N--CA 1.432 -1.367 0 O-C-N 121.586 -0.696 . . . . 25.0 112.599 179.045 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 37.3 t80 -71.93 -36.5 69.95 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 109.107 -0.701 . . . . 25.0 109.107 174.861 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.98 -34.15 77.76 Favored 'General case' 0 CA--C 1.497 -1.061 0 N-CA-C 108.582 -0.895 . . . . 25.0 108.582 -179.89 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.57 -26.75 68.0 Favored 'General case' 0 CA--C 1.544 0.744 0 CA-C-N 118.143 0.429 . . . . 25.0 112.07 -179.094 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -80.84 -14.39 58.08 Favored 'General case' 0 C--N 1.308 -1.209 0 N-CA-C 113.847 1.054 . . . . 25.0 113.847 178.782 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 50.7 mm-40 -103.56 -38.4 7.15 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-O 121.289 0.566 . . . . 25.0 110.542 -179.029 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 37.4 m-85 -129.08 70.54 81.69 Favored Pre-proline 0 C--O 1.247 0.949 0 CA-C-N 115.667 -0.697 . . . . 25.0 111.43 177.572 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -67.84 144.85 66.57 Favored 'Trans proline' 0 C--O 1.2 -1.386 0 C-N-CA 114.648 -3.101 . . . . 25.0 112.369 -176.641 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 82.06 -29.22 3.13 Favored Glycine 0 C--O 1.219 -0.79 0 N-CA-C 114.779 0.672 . . . . 25.0 114.779 -179.474 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -97.35 84.67 3.5 Favored 'General case' 0 CA--C 1.494 -1.192 0 O-C-N 122.074 -0.663 . . . . 25.0 111.887 -171.535 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 47.4 t80 -53.94 -44.29 70.54 Favored 'General case' 0 C--N 1.317 -0.844 0 O-C-N 124.343 1.027 . . . . 25.0 112.105 179.243 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -60.73 -43.31 98.04 Favored 'General case' 0 C--O 1.213 -0.858 0 C-N-CA 120.019 -0.672 . . . . 25.0 111.07 -179.61 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 30.6 mm100 -71.47 -36.57 71.22 Favored 'General case' 0 CA--C 1.507 -0.699 0 CA-C-O 122.183 0.992 . . . . 25.0 112.307 -179.399 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 60.1 mt-30 -56.99 -37.54 71.79 Favored 'General case' 0 N--CA 1.477 0.925 0 CA-C-O 122.099 0.952 . . . . 25.0 110.852 174.367 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 93.7 mm-40 -75.62 -37.36 59.81 Favored 'General case' 0 C--N 1.321 -0.671 0 O-C-N 121.617 -0.677 . . . . 25.0 112.552 -176.263 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 79.7 mt -60.13 -40.86 84.65 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.726 0 N-CA-C 107.404 -1.332 . . . . 25.0 107.404 175.752 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 18.2 tp -66.3 -46.88 75.42 Favored 'General case' 0 C--O 1.219 -0.523 0 CA-C-O 121.307 0.575 . . . . 25.0 112.438 -179.941 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 48.8 mt -58.47 -38.35 69.66 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 N-CA-C 108.499 -0.926 . . . . 25.0 108.499 179.148 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 5.7 tpt180 -55.2 -47.95 74.55 Favored 'General case' 0 C--O 1.244 0.793 0 CA-C-N 119.577 1.081 . . . . 25.0 110.274 177.271 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 49.7 tt0 -65.64 -43.42 89.5 Favored 'General case' 0 N--CA 1.476 0.825 0 CA-C-O 118.777 -0.63 . . . . 25.0 111.64 -179.768 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 56.5 mt -59.51 -41.59 90.27 Favored 'General case' 0 N--CA 1.48 1.041 0 N-CA-C 108.682 -0.859 . . . . 25.0 108.682 -176.251 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -69.46 -31.46 69.77 Favored 'General case' 0 C--O 1.254 1.319 0 O-C-N 121.841 -0.537 . . . . 25.0 110.556 -178.66 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -68.18 -39.26 82.57 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.314 -0.403 . . . . 25.0 110.589 178.734 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -73.89 -38.56 64.34 Favored 'General case' 0 CA--C 1.546 0.827 0 CA-C-N 116.043 -0.526 . . . . 25.0 112.085 177.511 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 41.9 t-80 -62.05 -31.68 72.12 Favored 'General case' 0 CA--C 1.554 1.101 0 N-CA-C 109.026 -0.731 . . . . 25.0 109.026 176.09 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 63.5 t80 -61.86 -35.96 79.84 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-N 118.089 0.404 . . . . 25.0 110.635 176.96 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 81.5 mt-30 -73.02 -37.51 66.89 Favored 'General case' 0 N--CA 1.48 1.061 0 O-C-N 121.568 -0.707 . . . . 25.0 111.083 -179.295 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -66.14 -39.95 90.23 Favored 'General case' 0 C--O 1.249 1.058 0 CA-C-O 121.595 0.712 . . . . 25.0 109.862 175.799 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 19.4 t80 -65.97 -43.21 88.54 Favored 'General case' 0 C--N 1.301 -1.515 0 CA-C-N 115.876 -0.602 . . . . 25.0 110.83 177.948 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.0 -42.32 99.82 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 108.707 -0.849 . . . . 25.0 108.707 179.8 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 65.3 tt0 -60.63 -44.03 96.83 Favored 'General case' 0 C--O 1.245 0.853 0 C-N-CA 118.486 -1.286 . . . . 25.0 111.749 -179.771 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 42.5 tt0 -63.07 -40.77 98.68 Favored 'General case' 0 C--O 1.218 -0.598 0 CA-C-N 118.642 0.656 . . . . 25.0 109.658 179.274 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 37.9 mt -65.78 -27.03 67.98 Favored 'General case' 0 C--O 1.21 -1.009 0 N-CA-C 112.862 0.69 . . . . 25.0 112.862 -177.985 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -68.19 -36.57 79.78 Favored 'General case' 0 N--CA 1.443 -0.807 0 CA-C-N 119.896 1.226 . . . . 25.0 108.565 174.844 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -72.9 -34.3 66.55 Favored 'General case' 0 CA--C 1.553 1.093 0 O-C-N 120.937 -1.102 . . . . 25.0 109.848 177.623 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 76.9 t -67.29 -40.81 85.67 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.593 0 N-CA-C 109.215 -0.661 . . . . 25.0 109.215 178.109 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 8.7 mm-40 -56.78 -46.59 81.42 Favored 'General case' 0 C--O 1.222 -0.354 0 O-C-N 121.228 -0.92 . . . . 25.0 109.967 177.314 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 75.2 mt -66.64 -30.68 71.01 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 120.458 -0.497 . . . . 25.0 111.315 -178.741 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -66.86 -32.68 74.12 Favored 'General case' 0 CA--C 1.546 0.797 0 O-C-N 121.495 -0.753 . . . . 25.0 110.189 175.592 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 62.7 mt-30 -78.0 -31.41 50.61 Favored 'General case' 0 C--N 1.309 -1.186 0 O-C-N 121.603 -0.686 . . . . 25.0 111.691 179.149 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -68.72 -40.23 80.04 Favored 'General case' 0 N--CA 1.443 -0.801 0 C-N-CA 120.475 -0.49 . . . . 25.0 111.446 175.751 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -70.61 -23.49 62.57 Favored 'General case' 0 CA--C 1.485 -1.531 0 C-N-CA 119.722 -0.791 . . . . 25.0 112.882 179.645 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -76.52 -17.01 59.49 Favored 'General case' 0 C--O 1.205 -1.256 0 CA-C-N 115.926 -0.579 . . . . 25.0 109.629 -179.142 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -94.11 -30.7 14.52 Favored 'General case' 0 N--CA 1.437 -1.107 0 O-C-N 123.983 0.802 . . . . 25.0 110.507 175.486 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 32.7 mt -76.05 -33.71 59.61 Favored 'General case' 0 CA--C 1.504 -0.804 0 C-N-CA 123.179 0.592 . . . . 25.0 110.298 -178.752 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 47.4 29.96 1.45 Allowed 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 114.355 1.243 . . . . 25.0 114.355 179.485 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 46.2 tttm 51.64 32.66 9.5 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 125.338 1.455 . . . . 25.0 113.348 -177.347 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 96.5 mm-40 -79.37 80.4 5.73 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 123.213 1.482 . . . . 25.0 109.979 178.751 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 46.6 tt0 . . . . . 0 C--O 1.214 -0.807 0 CA-C-O 125.002 2.334 . . . . 25.0 114.084 -177.174 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.9 ttt . . . . . 0 CA--C 1.503 -0.836 0 CA-C-O 122.707 1.241 . . . . 25.0 113.067 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -125.84 150.65 47.68 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 126.867 2.067 . . . . 25.0 114.882 -178.676 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 56.81 36.0 27.08 Favored 'General case' 0 C--O 1.203 -1.376 0 CA-C-O 122.98 1.371 . . . . 25.0 112.403 -177.434 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.417 ' HG2' ' H ' ' A' ' 4' ' ' LYS . 17.8 pttm -78.6 -26.87 45.49 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-N 113.477 -1.692 . . . . 25.0 113.686 -179.341 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 9.4 tm0? -70.12 -30.27 67.42 Favored 'General case' 0 N--CA 1.429 -1.514 0 CA-C-O 118.635 -0.698 . . . . 25.0 111.725 -178.994 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -59.22 -40.21 85.12 Favored 'General case' 0 N--CA 1.481 1.092 0 CA-C-O 121.807 0.813 . . . . 25.0 112.498 175.964 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 16.9 mt -66.8 -38.41 81.44 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.166 0 N-CA-C 109.123 -0.695 . . . . 25.0 109.123 177.685 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 73.8 mtp -66.01 -37.56 86.22 Favored 'General case' 0 C--O 1.212 -0.894 0 O-C-N 121.076 -1.015 . . . . 25.0 111.63 -178.678 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.87 -42.49 99.13 Favored 'General case' 0 CA--C 1.563 1.47 0 CA-C-N 115.938 -0.574 . . . . 25.0 109.539 178.215 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.8 -49.02 76.6 Favored 'General case' 0 C--O 1.255 1.352 0 N-CA-C 113.11 0.782 . . . . 25.0 113.11 176.482 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 86.2 mt -62.28 -36.19 81.33 Favored 'General case' 0 C--N 1.351 0.648 0 O-C-N 121.723 -0.61 . . . . 25.0 109.363 179.665 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 -70.37 -31.39 68.63 Favored 'General case' 0 C--O 1.203 -1.389 0 CA-C-O 122.497 1.142 . . . . 25.0 109.171 -174.541 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 51.1 m -68.42 -45.83 71.55 Favored 'General case' 0 CA--C 1.554 1.105 0 CA-C-N 115.131 -0.941 . . . . 25.0 109.974 -176.303 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -76.67 -9.4 58.64 Favored 'General case' 0 C--O 1.217 -0.625 0 N-CA-C 115.647 1.721 . . . . 25.0 115.647 -176.288 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 74.1 p -120.03 9.27 11.16 Favored 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 113.451 0.908 . . . . 25.0 113.451 176.766 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.66 -62.57 1.7 Allowed 'General case' 0 C--N 1.316 -0.885 0 CA-C-O 121.152 0.501 . . . . 25.0 112.093 -176.667 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 5.1 p -68.94 -36.39 73.76 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.071 0 CA-C-N 116.093 -0.503 . . . . 25.0 110.944 179.539 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -62.53 -44.99 94.99 Favored 'General case' 0 CA--C 1.516 -0.357 0 N-CA-C 109.188 -0.671 . . . . 25.0 109.188 -176.612 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 12.8 m-30 -76.97 -27.68 54.86 Favored 'General case' 0 C--O 1.195 -1.804 0 N-CA-C 109.016 -0.735 . . . . 25.0 109.016 -178.661 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 44.6 tt0 -60.64 -42.33 96.72 Favored 'General case' 0 C--O 1.245 0.841 0 O-C-N 121.14 -0.975 . . . . 25.0 109.004 176.509 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 33.4 mm-40 -61.12 -42.45 98.55 Favored 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 110.52 -0.178 . . . . 25.0 110.52 -179.788 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 78.8 t80 -69.91 -32.19 70.36 Favored 'General case' 0 N--CA 1.481 1.086 0 N-CA-C 115.012 1.486 . . . . 25.0 115.012 173.395 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.89 -30.88 65.85 Favored 'General case' 0 CA--C 1.547 0.856 0 O-C-N 120.342 -1.474 . . . . 25.0 108.66 -176.386 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.98 -21.41 63.24 Favored 'General case' 0 C--O 1.217 -0.645 0 C-N-CA 123.488 0.715 . . . . 25.0 110.544 176.299 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 40.5 tt0 -85.37 -10.23 56.57 Favored 'General case' 0 C--N 1.313 -0.998 0 CA-C-O 121.843 0.83 . . . . 25.0 108.999 -177.045 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 34.3 mm-40 -106.51 -47.13 3.84 Favored 'General case' 0 C--O 1.239 0.513 0 CA-C-N 115.203 -0.908 . . . . 25.0 110.23 177.587 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 31.5 m-85 -120.38 72.95 20.57 Favored Pre-proline 0 CA--C 1.557 1.237 0 CA-C-O 120.731 0.301 . . . . 25.0 110.497 179.902 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_endo -65.98 146.48 82.66 Favored 'Trans proline' 0 C--N 1.368 1.568 0 C-N-CA 115.393 -2.604 . . . . 25.0 111.522 -178.854 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 74.07 6.89 75.33 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 116.4 1.32 . . . . 25.0 116.4 174.037 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -131.33 77.53 1.78 Allowed 'General case' 0 N--CA 1.444 -0.773 0 CA-C-N 115.01 -0.595 . . . . 25.0 109.457 -177.585 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -54.2 -42.83 70.17 Favored 'General case' 0 CA--C 1.557 1.225 0 N-CA-C 108.621 -0.881 . . . . 25.0 108.621 178.28 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -56.25 -47.43 78.54 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.028 -1.045 . . . . 25.0 111.784 -179.532 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.407 ' HA ' HD12 ' A' ' 36' ' ' ILE . 27.8 mm100 -70.66 -33.4 70.9 Favored 'General case' 0 N--CA 1.439 -0.99 0 N-CA-C 113.597 0.962 . . . . 25.0 113.597 178.208 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -57.98 -37.82 74.93 Favored 'General case' 0 C--O 1.259 1.596 0 C-N-CA 120.121 -0.631 . . . . 25.0 110.617 174.018 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 59.3 mm-40 -70.22 -31.79 69.38 Favored 'General case' 0 N--CA 1.485 1.316 0 CA-C-O 123.817 1.77 . . . . 25.0 111.17 -172.893 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.407 HD12 ' HA ' ' A' ' 33' ' ' GLN . 85.5 mt -68.91 -41.9 82.19 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.99 0 CA-C-N 114.025 -1.443 . . . . 25.0 108.756 -179.34 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 33.0 tp -64.92 -46.2 82.65 Favored 'General case' 0 C--N 1.308 -1.213 0 CA-C-N 114.592 -1.186 . . . . 25.0 112.817 -177.877 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 67.6 mt -58.26 -31.27 41.95 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.917 0 CA-C-N 115.733 -0.667 . . . . 25.0 110.409 173.835 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 11.9 ttp85 -59.95 -42.45 94.09 Favored 'General case' 0 N--CA 1.434 -1.24 0 C-N-CA 118.483 -1.287 . . . . 25.0 110.639 -179.747 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 64.4 tp60 -77.01 -38.51 52.88 Favored 'General case' 0 C--O 1.242 0.684 0 CA-C-O 121.397 0.617 . . . . 25.0 110.794 -176.402 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 71.2 mt -53.91 -43.42 69.69 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 122.987 1.375 . . . . 25.0 110.156 177.978 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -68.56 -39.92 80.82 Favored 'General case' 0 C--O 1.275 2.422 0 O-C-N 121.415 -0.803 . . . . 25.0 111.282 -178.031 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -59.87 -44.01 94.4 Favored 'General case' 0 N--CA 1.489 1.477 0 CA-C-O 121.57 0.7 . . . . 25.0 111.577 176.525 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -68.12 -38.2 81.99 Favored 'General case' 0 C--O 1.251 1.134 0 O-C-N 121.364 -0.835 . . . . 25.0 110.964 177.863 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 10.5 t60 -63.4 -34.38 77.6 Favored 'General case' 0 N--CA 1.44 -0.927 0 C-N-CA 119.718 -0.793 . . . . 25.0 111.433 175.18 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 10.4 t80 -59.2 -37.35 77.22 Favored 'General case' 0 C--O 1.218 -0.566 0 O-C-N 120.885 -1.135 . . . . 25.0 112.853 176.957 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -67.67 -40.41 84.43 Favored 'General case' 0 C--O 1.254 1.297 0 N-CA-C 108.656 -0.868 . . . . 25.0 108.656 179.454 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -65.72 -40.89 92.66 Favored 'General case' 0 N--CA 1.481 1.103 0 CA-C-O 122.28 1.038 . . . . 25.0 109.008 -179.403 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 34.2 t80 -67.58 -43.05 81.48 Favored 'General case' 0 C--N 1.3 -1.56 0 N-CA-C 107.923 -1.14 . . . . 25.0 107.923 -178.168 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.39 -36.33 75.61 Favored 'General case' 0 CA--C 1.487 -1.443 0 N-CA-C 113.535 0.939 . . . . 25.0 113.535 176.267 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 43.1 tt0 -65.56 -48.47 72.28 Favored 'General case' 0 CA--C 1.551 0.983 0 O-C-N 124.635 1.209 . . . . 25.0 110.73 177.116 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 66.8 tp60 -57.31 -48.75 78.14 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-O 122.392 1.092 . . . . 25.0 110.917 -179.892 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 46.0 mt -59.47 -29.97 68.2 Favored 'General case' 0 C--O 1.203 -1.385 0 CA-C-N 115.09 -0.959 . . . . 25.0 110.131 -178.255 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -68.66 -38.61 80.55 Favored 'General case' 0 N--CA 1.467 0.408 0 O-C-N 120.781 -1.199 . . . . 25.0 109.754 177.655 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -67.31 -38.77 85.48 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-O 122.106 0.955 . . . . 25.0 112.704 175.802 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 92.8 t -66.95 -40.32 85.4 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.289 0 O-C-N 121.022 -1.049 . . . . 25.0 109.552 177.493 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 14.0 mm-40 -55.34 -46.86 76.37 Favored 'General case' 0 CA--C 1.501 -0.928 0 O-C-N 121.903 -0.498 . . . . 25.0 110.67 176.31 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 65.9 mt -63.93 -36.23 83.27 Favored 'General case' 0 C--N 1.304 -1.396 0 CA-C-O 122.17 0.986 . . . . 25.0 111.378 178.995 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.01 -39.61 95.27 Favored 'General case' 0 C--O 1.239 0.551 0 CA-C-N 115.005 -0.998 . . . . 25.0 111.707 -179.694 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 57.4 mt-30 -75.95 -31.03 58.87 Favored 'General case' 0 N--CA 1.436 -1.16 0 CA-C-N 115.203 -0.908 . . . . 25.0 112.985 176.435 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 13.4 mm-40 -64.6 -46.6 81.95 Favored 'General case' 0 N--CA 1.48 1.062 0 CA-C-N 115.893 -0.594 . . . . 25.0 111.698 175.972 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -67.94 -28.54 67.57 Favored 'General case' 0 C--N 1.319 -0.727 0 C-N-CA 119.684 -0.806 . . . . 25.0 111.199 179.779 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.33 -32.78 72.1 Favored 'General case' 0 N--CA 1.422 -1.853 0 CA-C-O 121.081 0.467 . . . . 25.0 111.917 177.649 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -77.42 -34.99 54.53 Favored 'General case' 0 CA--C 1.499 -0.99 0 CA-C-N 115.422 -0.808 . . . . 25.0 110.061 178.136 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 43.9 mt -69.03 -44.31 72.95 Favored 'General case' 0 C--O 1.266 1.963 0 O-C-N 122.042 -0.411 . . . . 25.0 111.806 -177.64 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 34.47 50.13 0.38 Allowed 'General case' 0 N--CA 1.499 1.981 0 O-C-N 124.501 1.126 . . . . 25.0 109.561 -174.655 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 8.1 ttmt -117.93 17.33 14.2 Favored 'General case' 0 CA--C 1.548 0.883 0 N-CA-C 114.469 1.285 . . . . 25.0 114.469 -176.096 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -85.84 90.58 8.09 Favored 'General case' 0 C--O 1.201 -1.48 0 N-CA-C 104.921 -2.252 . . . . 25.0 104.921 178.741 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 24.0 pt20 . . . . . 0 N--CA 1.516 2.826 0 N-CA-C 116.922 2.193 . . . . 25.0 116.922 176.647 . . . . . . . . 0 0 . 1 stop_ save_