data_2lo7_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 2lo7 _Structure_validation_residue.Date_analyzed 2016-10-07 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' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.546 0.812 0 N-CA-C 107.634 -1.247 . . . . 0.0 107.634 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 50.5 mtt -138.25 143.41 40.08 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.493 1.517 . . . . 0.0 107.412 145.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 32.6 ttpt -65.81 -23.54 66.72 Favored 'General case' 0 N--CA 1.481 1.095 0 CA-C-N 119.776 1.171 . . . . 0.0 113.039 -178.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 24.1 mp0 -68.6 -57.28 5.96 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.802 1.641 . . . . 0.0 110.843 170.51 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 67.4 t80 -53.33 -47.35 69.38 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 125.119 1.368 . . . . 0.0 111.831 177.021 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 80.7 m -63.5 -32.45 73.9 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-O 117.98 -1.01 . . . . 0.0 113.285 -176.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -82.72 -23.9 33.84 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 120.223 1.374 . . . . 0.0 113.697 173.199 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -75.75 -10.39 84.89 Favored Glycine 0 CA--C 1.536 1.404 0 C-N-CA 125.384 1.468 . . . . 0.0 114.834 171.322 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 64.8 mm-40 -122.16 -39.43 2.59 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-N 118.786 1.293 . . . . 0.0 114.09 178.354 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.413 ' SG ' ' HB3' ' A' ' 18' ' ' SER . 10.4 t -129.61 153.72 47.8 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.561 1.145 . . . . 0.0 111.652 -169.312 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 28.6 mmm180 -132.77 138.48 47.17 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 116.04 1.867 . . . . 0.0 116.04 -164.297 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 88.65 153.69 27.23 Favored Glycine 0 CA--C 1.531 1.033 0 C-N-CA 124.985 1.279 . . . . 0.0 111.942 -173.012 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -57.5 -43.14 83.94 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.974 1.31 . . . . 0.0 112.027 -167.445 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 39.7 t -80.77 -35.37 14.73 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 C-N-CA 124.754 1.222 . . . . 0.0 111.505 -173.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.413 ' HB3' ' SG ' ' A' ' 13' ' ' CYS . 1.5 m -65.03 -49.87 68.45 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 124.713 1.205 . . . . 0.0 111.107 173.171 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 81.5 mt-30 -58.61 -39.08 79.42 Favored 'General case' 0 CA--C 1.549 0.928 0 N-CA-C 112.965 0.728 . . . . 0.0 112.965 169.274 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -64.92 -36.16 83.47 Favored 'General case' 0 CA--C 1.541 0.621 0 O-C-N 120.54 -1.35 . . . . 0.0 112.72 174.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 18.8 t80 -62.36 -38.33 89.13 Favored 'General case' 0 CA--C 1.538 0.486 0 O-C-N 121.537 -0.727 . . . . 0.0 111.379 171.573 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 41.1 t -67.92 -33.46 74.72 Favored 'General case' 0 CA--C 1.542 0.649 0 O-C-N 121.268 -0.895 . . . . 0.0 112.42 175.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.3 mp -62.97 -20.36 65.18 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.329 1.452 . . . . 0.0 114.581 170.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 54.0 mttp -103.06 -35.61 8.46 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 126.053 1.741 . . . . 0.0 112.967 179.042 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -128.88 2.24 5.36 Favored 'General case' 0 N--CA 1.477 0.92 0 N-CA-C 114.755 1.391 . . . . 0.0 114.755 -163.032 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 91.2 m 53.69 27.03 6.4 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 125.563 1.545 . . . . 0.0 114.621 -177.535 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.3 ptmm? -148.16 164.97 32.3 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 125.976 1.71 . . . . 0.0 111.32 178.548 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.8 t -73.6 159.29 33.31 Favored 'General case' 0 CA--C 1.542 0.662 0 CA-C-O 121.449 0.642 . . . . 0.0 111.815 172.41 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 19.4 tt . . . . . 0 CA--C 1.544 0.744 0 C-N-CA 124.546 1.138 . . . . 0.0 111.558 -172.488 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 23.4 t . . . . . 0 CA--C 1.547 0.858 0 N-CA-C 107.104 -1.443 . . . . 0.0 107.104 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 64.9 mtt -150.67 138.34 19.78 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 126.953 2.101 . . . . 0.0 108.043 160.258 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 30.3 ttmt -60.61 -45.54 93.65 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.253 1.021 . . . . 0.0 113.221 -171.668 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 80.1 mt-10 -70.94 -42.76 69.39 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.62 1.168 . . . . 0.0 111.49 -177.713 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 66.2 t80 -58.41 -43.24 88.54 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 125.281 1.432 . . . . 0.0 111.682 176.51 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 52.6 m -65.76 -43.68 88.17 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 124.339 1.056 . . . . 0.0 112.557 176.622 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.46 -26.73 68.67 Favored 'General case' 0 CA--C 1.547 0.83 0 CA-C-N 118.505 0.593 . . . . 0.0 112.094 170.158 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -75.08 -8.85 83.7 Favored Glycine 0 CA--C 1.539 1.561 0 C-N-CA 125.104 1.335 . . . . 0.0 116.074 172.047 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -132.27 -9.89 3.31 Favored 'General case' 0 N--CA 1.481 1.078 0 N-CA-C 116.894 2.183 . . . . 0.0 116.894 176.129 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -145.96 155.17 42.66 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-N 120.251 1.387 . . . . 0.0 111.714 -175.819 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 9.7 ptp180 -153.77 148.75 26.71 Favored 'General case' 0 N--CA 1.482 1.159 0 N-CA-C 115.739 1.755 . . . . 0.0 115.739 -174.307 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 90.66 140.29 8.51 Favored Glycine 0 CA--C 1.534 1.23 0 N-CA-C 109.465 -1.454 . . . . 0.0 109.465 -153.215 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.4 tmtm? -66.84 -35.14 79.36 Favored 'General case' 0 N--CA 1.477 0.914 0 CA-C-N 118.414 1.107 . . . . 0.0 112.4 -169.239 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.7 p -71.96 -31.76 41.68 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 C-N-CA 123.728 0.811 . . . . 0.0 112.564 175.154 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.8 m -72.55 -45.45 59.23 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 125.855 1.662 . . . . 0.0 110.429 178.478 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 79.7 mt-30 -63.74 -35.31 80.15 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 123.631 0.772 . . . . 0.0 112.307 168.46 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -64.15 -39.89 94.97 Favored 'General case' 0 N--CA 1.474 0.757 0 O-C-N 120.956 -1.09 . . . . 0.0 112.3 172.412 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 10.0 t80 -56.14 -37.99 70.22 Favored 'General case' 0 N--CA 1.47 0.527 0 O-C-N 121.436 -0.79 . . . . 0.0 111.642 170.565 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 49.8 t -71.09 -33.18 69.94 Favored 'General case' 0 CA--C 1.539 0.55 0 O-C-N 120.632 -1.293 . . . . 0.0 112.44 177.56 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 7.6 mp -70.9 -18.7 62.66 Favored 'General case' 0 CA--C 1.546 0.818 0 N-CA-C 114.327 1.232 . . . . 0.0 114.327 169.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 56.9 mttp -101.93 -16.83 16.4 Favored 'General case' 0 N--CA 1.48 1.032 0 N-CA-C 115.026 1.491 . . . . 0.0 115.026 175.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 68.2 m-70 -139.67 -10.12 1.21 Allowed 'General case' 0 N--CA 1.479 0.989 0 N-CA-C 115.567 1.692 . . . . 0.0 115.567 -170.15 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . 0.25 2.8 t 54.55 34.9 22.23 Favored 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 125.72 1.608 . . . . 0.0 113.875 -171.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 46.9 mttp -143.99 159.26 42.9 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 129.222 3.009 . . . . 0.0 109.814 -178.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 10.8 t -76.77 161.83 28.16 Favored 'General case' 0 CA--C 1.545 0.753 0 CA-C-O 121.949 0.88 . . . . 0.0 111.42 164.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 19.1 tt . . . . . 0 CA--C 1.545 0.775 0 C-N-CA 125.509 1.524 . . . . 0.0 112.076 -173.323 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 7.1 t . . . . . 0 CA--C 1.544 0.747 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 83.7 mtp -142.54 130.77 22.1 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 125.22 1.408 . . . . 0.0 108.372 157.206 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 21.8 ttpp -66.95 -34.72 78.4 Favored 'General case' 0 N--CA 1.472 0.628 0 O-C-N 121.635 -0.666 . . . . 0.0 112.648 -174.506 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -69.89 -30.99 68.57 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 113.169 0.803 . . . . 0.0 113.169 177.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 92.7 t80 -67.5 -53.3 29.85 Favored 'General case' 0 CA--C 1.531 0.23 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 169.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 84.7 m -65.03 -38.89 92.38 Favored 'General case' 0 CA--C 1.535 0.383 0 N-CA-C 114.255 1.205 . . . . 0.0 114.255 -175.489 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -74.49 -19.16 60.48 Favored 'General case' 0 CA--C 1.54 0.575 0 N-CA-C 113.468 0.914 . . . . 0.0 113.468 174.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -81.93 -49.88 5.15 Favored Glycine 0 CA--C 1.529 0.949 0 C-N-CA 123.58 0.609 . . . . 0.0 112.348 174.031 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 10.8 mm100 -83.95 -18.36 37.53 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 125.037 1.335 . . . . 0.0 114.448 -175.033 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.7 t -139.26 148.69 43.38 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 124.551 1.14 . . . . 0.0 111.782 -173.399 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.82 151.35 41.06 Favored 'General case' 0 N--CA 1.479 1.013 0 N-CA-C 113.734 1.013 . . . . 0.0 113.734 -171.136 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 89.09 139.49 7.13 Favored Glycine 0 CA--C 1.533 1.194 0 C-N-CA 124.919 1.247 . . . . 0.0 110.171 -157.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 58.1 tttm -60.33 -39.05 85.71 Favored 'General case' 0 N--CA 1.479 0.994 0 CA-C-N 118.159 0.979 . . . . 0.0 112.224 -169.534 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 38.7 t -83.31 -26.56 7.77 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.502 0 C-N-CA 123.95 0.9 . . . . 0.0 111.852 -177.625 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.3 m -65.51 -49.04 70.46 Favored 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 124.543 1.137 . . . . 0.0 111.203 168.463 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -58.31 -40.34 81.77 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 122.861 0.464 . . . . 0.0 112.053 171.354 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -65.63 -39.47 91.49 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 112.96 0.726 . . . . 0.0 112.96 174.603 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 23.2 t80 -57.44 -35.68 70.42 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 120.006 1.275 . . . . 0.0 111.538 173.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 44.8 t -73.63 -31.34 63.47 Favored 'General case' 0 CA--C 1.535 0.375 0 O-C-N 121.492 -0.755 . . . . 0.0 112.378 176.418 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 6.7 mp -63.25 -44.77 94.26 Favored 'General case' 0 CA--C 1.544 0.712 0 O-C-N 120.912 -1.118 . . . . 0.0 111.121 165.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 48.4 mmtm -65.12 -35.82 82.32 Favored 'General case' 0 N--CA 1.474 0.755 0 O-C-N 121.033 -1.042 . . . . 0.0 113.715 178.014 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 89.7 m-70 -133.83 -4.43 2.84 Favored 'General case' 0 N--CA 1.484 1.232 0 N-CA-C 116.596 2.072 . . . . 0.0 116.596 -163.429 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . 0.268 1.8 t 50.71 36.07 13.33 Favored 'General case' 0 CA--C 1.552 1.037 0 N-CA-C 115.659 1.726 . . . . 0.0 115.659 -171.068 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.4 ptpt -145.22 158.0 43.93 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 127.013 2.125 . . . . 0.0 110.128 167.59 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 9.0 t -71.13 161.14 31.61 Favored 'General case' 0 CA--C 1.544 0.717 0 CA-C-O 121.413 0.625 . . . . 0.0 111.793 170.122 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 20.7 tt . . . . . 0 CA--C 1.548 0.891 0 C-N-CA 125.195 1.398 . . . . 0.0 112.853 -169.482 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 18.0 t . . . . . 0 N--CA 1.47 0.553 0 CA-C-O 119.93 -0.081 . . . . 0.0 110.95 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 94.3 mtp -139.41 115.31 10.19 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 126.476 1.91 . . . . 0.0 107.858 168.078 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 27.8 ttpp -57.43 -43.6 83.99 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 125.329 1.451 . . . . 0.0 112.938 -171.237 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -72.84 -42.69 63.5 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.382 0.673 . . . . 0.0 111.372 -176.638 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 79.0 t80 -56.38 -51.83 66.86 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 124.95 1.3 . . . . 0.0 111.128 176.273 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 66.9 m -67.48 -38.04 83.78 Favored 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 112.858 0.688 . . . . 0.0 112.858 -179.347 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.65 -26.41 65.31 Favored 'General case' 0 CA--C 1.547 0.854 0 N-CA-C 113.766 1.024 . . . . 0.0 113.766 175.77 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -94.14 -39.54 4.8 Favored Glycine 0 CA--C 1.534 1.263 0 C-N-CA 124.994 1.283 . . . . 0.0 114.963 -176.676 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 97.2 mm-40 -87.79 -18.47 29.29 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-N 119.106 1.453 . . . . 0.0 113.674 178.168 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.7 t -128.82 146.84 50.81 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.87 1.268 . . . . 0.0 111.923 -178.444 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 14.4 mmt85 -141.8 148.58 39.12 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 114.655 1.354 . . . . 0.0 114.655 -171.346 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 88.15 144.15 9.43 Favored Glycine 0 CA--C 1.531 1.078 0 N-CA-C 110.022 -1.231 . . . . 0.0 110.022 -159.486 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 26.8 tptp -53.98 -47.52 71.31 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 125.46 1.504 . . . . 0.0 112.412 -175.01 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 21.8 t -78.0 -33.62 18.49 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.574 0 C-N-CA 125.391 1.476 . . . . 0.0 111.097 -174.278 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.8 m -62.62 -50.33 71.67 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 124.381 1.072 . . . . 0.0 111.496 171.032 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -59.16 -41.77 89.14 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 112.438 0.532 . . . . 0.0 112.438 172.356 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -64.4 -39.82 94.6 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.334 0.653 . . . . 0.0 112.472 177.056 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 23.3 t80 -55.19 -39.06 69.16 Favored 'General case' 0 N--CA 1.474 0.756 0 O-C-N 121.263 -0.898 . . . . 0.0 111.442 170.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 43.0 t -73.38 -29.57 62.7 Favored 'General case' 0 CA--C 1.534 0.337 0 O-C-N 121.421 -0.8 . . . . 0.0 112.486 177.248 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.5 mp -67.37 -39.01 85.64 Favored 'General case' 0 CA--C 1.546 0.8 0 O-C-N 120.624 -1.298 . . . . 0.0 111.793 168.688 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 40.5 mmtm -71.24 -36.69 71.88 Favored 'General case' 0 N--CA 1.481 1.093 0 O-C-N 120.705 -1.247 . . . . 0.0 113.858 174.234 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 80.5 m-70 -126.26 -5.1 6.67 Favored 'General case' 0 N--CA 1.478 0.945 0 N-CA-C 114.99 1.478 . . . . 0.0 114.99 -161.606 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 2.0 t 54.76 16.28 1.36 Allowed 'General case' 0 CA--C 1.55 0.979 0 N-CA-C 116.409 2.003 . . . . 0.0 116.409 -171.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.0 ptpp? -131.51 156.97 44.77 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 126.993 2.117 . . . . 0.0 110.692 172.578 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 15.5 t -75.45 165.24 25.42 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-O 122.258 1.028 . . . . 0.0 111.522 174.394 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 19.1 tt . . . . . 0 CA--C 1.549 0.922 0 C-N-CA 125.495 1.518 . . . . 0.0 113.235 -165.062 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 6.8 t . . . . . 0 CA--C 1.543 0.71 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 64.5 mtt -136.18 135.16 38.92 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.743 1.217 . . . . 0.0 107.845 139.412 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 25.4 ttpp -59.23 -43.14 92.34 Favored 'General case' 0 N--CA 1.479 0.988 0 CA-C-N 119.345 0.975 . . . . 0.0 113.518 -172.378 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 6.7 mp0 -65.88 -45.95 80.18 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 123.329 0.652 . . . . 0.0 111.598 177.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 81.0 t80 -60.18 -43.36 95.93 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.643 1.177 . . . . 0.0 111.969 177.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 17.3 m -59.18 -25.99 64.41 Favored 'General case' 0 CA--C 1.538 0.486 0 N-CA-C 113.81 1.041 . . . . 0.0 113.81 177.069 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -73.79 -14.33 61.09 Favored 'General case' 0 CA--C 1.547 0.849 0 N-CA-C 114.315 1.228 . . . . 0.0 114.315 176.459 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -98.06 -35.81 4.93 Favored Glycine 0 CA--C 1.537 1.406 0 C-N-CA 124.933 1.254 . . . . 0.0 113.205 169.269 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 85.6 mm-40 -72.78 -23.66 60.83 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 118.55 1.175 . . . . 0.0 113.503 176.328 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.418 ' SG ' ' HB3' ' A' ' 18' ' ' SER . 3.9 t -152.99 152.39 31.36 Favored 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 114.174 1.176 . . . . 0.0 114.174 -173.369 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 29.4 mmm180 -135.15 148.5 49.75 Favored 'General case' 0 N--CA 1.48 1.061 0 N-CA-C 114.139 1.163 . . . . 0.0 114.139 -175.437 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 90.3 145.86 14.38 Favored Glycine 0 CA--C 1.531 1.058 0 C-N-CA 125.403 1.478 . . . . 0.0 110.741 -165.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 60.2 tttm -61.66 -43.56 98.62 Favored 'General case' 0 N--CA 1.476 0.852 0 CA-C-N 118.357 1.078 . . . . 0.0 112.62 -170.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 37.9 t -77.7 -33.08 18.59 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 C-N-CA 124.733 1.213 . . . . 0.0 111.284 -176.661 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.418 ' HB3' ' SG ' ' A' ' 13' ' ' CYS . 5.2 m -64.97 -48.13 75.12 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 124.927 1.291 . . . . 0.0 111.134 171.295 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -60.15 -37.64 80.73 Favored 'General case' 0 CA--C 1.545 0.765 0 O-C-N 121.17 -0.956 . . . . 0.0 113.324 168.486 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -62.7 -35.37 79.48 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-N 119.933 1.242 . . . . 0.0 111.936 172.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 16.6 t80 -62.57 -39.91 95.17 Favored 'General case' 0 N--CA 1.471 0.603 0 O-C-N 121.348 -0.845 . . . . 0.0 112.131 170.276 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 48.8 t -68.22 -32.49 72.73 Favored 'General case' 0 CA--C 1.54 0.563 0 O-C-N 121.41 -0.806 . . . . 0.0 111.97 176.345 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.6 mp -63.85 -30.08 71.2 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.903 1.281 . . . . 0.0 113.505 170.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -80.23 -47.01 15.29 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.513 1.125 . . . . 0.0 112.595 170.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 91.8 m-70 -124.7 0.67 8.13 Favored 'General case' 0 N--CA 1.48 1.061 0 N-CA-C 116.104 1.89 . . . . 0.0 116.104 -152.726 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 81.3 m 59.48 13.37 3.23 Favored 'General case' 0 N--CA 1.479 1.009 0 N-CA-C 116.564 2.061 . . . . 0.0 116.564 -177.08 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -137.9 167.74 21.13 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 127.139 2.176 . . . . 0.0 112.03 178.542 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 6.0 t -88.04 159.16 18.38 Favored 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 113.259 0.837 . . . . 0.0 113.259 173.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 14.6 tt . . . . . 0 CA--C 1.547 0.864 0 C-N-CA 124.779 1.232 . . . . 0.0 112.176 -168.201 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.538 0.489 0 N-CA-C 107.062 -1.458 . . . . 0.0 107.062 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 56.0 mtt -147.21 141.56 26.33 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 125.029 1.332 . . . . 0.0 109.441 154.422 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -53.49 -41.93 66.76 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 125.054 1.342 . . . . 0.0 111.501 172.701 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 29.7 mp0 -64.3 -51.36 63.89 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 126.435 1.894 . . . . 0.0 112.216 -178.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 69.9 t80 -57.75 -48.4 79.75 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 125.231 1.412 . . . . 0.0 110.756 174.52 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 63.4 m -60.12 -32.52 71.07 Favored 'General case' 0 CA--C 1.534 0.353 0 N-CA-C 113.12 0.785 . . . . 0.0 113.12 177.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -81.54 -20.96 38.92 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 114.581 1.326 . . . . 0.0 114.581 174.62 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -80.16 -33.11 33.46 Favored Glycine 0 CA--C 1.535 1.31 0 C-N-CA 124.309 0.956 . . . . 0.0 113.62 171.486 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 -102.97 -11.38 18.24 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 125.109 1.364 . . . . 0.0 114.202 -174.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.2 t -148.43 151.81 35.88 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.787 1.235 . . . . 0.0 112.391 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 83.7 mtm-85 -142.17 153.46 44.07 Favored 'General case' 0 N--CA 1.48 1.069 0 N-CA-C 114.982 1.475 . . . . 0.0 114.982 -178.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 90.47 140.47 8.49 Favored Glycine 0 CA--C 1.531 1.032 0 N-CA-C 110.151 -1.18 . . . . 0.0 110.151 -160.026 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 32.5 ttmt -63.45 -37.46 87.37 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 124.47 1.108 . . . . 0.0 112.843 -168.695 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 43.2 t -79.9 -33.07 14.42 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 C-N-CA 125.448 1.499 . . . . 0.0 111.543 178.224 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.4 m -63.76 -47.29 81.61 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 124.593 1.157 . . . . 0.0 111.045 173.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -63.26 -34.85 78.57 Favored 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 113.51 0.93 . . . . 0.0 113.51 168.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -68.51 -34.85 76.61 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-N 119.726 1.148 . . . . 0.0 111.991 176.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 69.0 t80 -57.93 -39.75 78.78 Favored 'General case' 0 N--CA 1.477 0.888 0 O-C-N 120.558 -1.339 . . . . 0.0 112.546 166.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 52.6 t -67.77 -33.02 74.03 Favored 'General case' 0 CA--C 1.54 0.572 0 O-C-N 121.118 -0.989 . . . . 0.0 112.291 178.195 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.7 mp -64.52 -19.01 65.34 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 124.461 1.104 . . . . 0.0 113.83 168.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 84.7 mttt -94.91 -30.4 14.18 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.578 1.151 . . . . 0.0 113.557 173.484 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 98.0 m-70 -140.95 7.7 2.06 Favored 'General case' 0 N--CA 1.479 1.022 0 N-CA-C 116.748 2.129 . . . . 0.0 116.748 -163.434 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 8.2 t 52.5 28.72 6.23 Favored 'General case' 0 CA--C 1.555 1.154 0 N-CA-C 115.789 1.774 . . . . 0.0 115.789 175.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -144.97 160.86 40.67 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 128.373 2.669 . . . . 0.0 109.171 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 11.8 t -76.01 157.4 33.07 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 119.551 1.068 . . . . 0.0 111.234 170.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 18.7 tt . . . . . 0 CA--C 1.544 0.721 0 C-N-CA 124.364 1.066 . . . . 0.0 112.222 -170.236 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.542 0.638 0 N-CA-C 109.581 -0.526 . . . . 0.0 109.581 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 65.8 mtt -149.3 147.69 28.65 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 125.425 1.49 . . . . 0.0 109.496 172.137 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 22.0 mtmm -60.2 -49.02 79.29 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.782 0.833 . . . . 0.0 111.236 175.306 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 54.5 mp0 -63.12 -41.18 99.29 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.075 0.95 . . . . 0.0 111.875 -176.096 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 81.1 t80 -55.42 -47.67 75.58 Favored 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 124.753 1.221 . . . . 0.0 112.129 179.077 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.7 m -86.07 -22.41 27.18 Favored 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 114.405 1.261 . . . . 0.0 114.405 -177.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.8 -26.48 68.13 Favored 'General case' 0 CA--C 1.554 1.097 0 CA-C-N 120.41 1.459 . . . . 0.0 112.062 160.458 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -80.59 7.4 58.17 Favored Glycine 0 CA--C 1.54 1.602 0 C-N-CA 126.287 1.898 . . . . 0.0 114.974 168.358 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 80.7 mm-40 -122.95 -57.65 1.7 Allowed 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.537 1.535 . . . . 0.0 111.462 174.089 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 96.2 m -150.08 165.03 33.99 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 125.393 1.477 . . . . 0.0 113.356 -169.242 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 19.8 mtp-105 -130.22 -179.65 5.37 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 125.176 1.39 . . . . 0.0 112.1 172.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 90.36 123.94 2.71 Favored Glycine 0 CA--C 1.522 0.481 0 N-CA-C 107.967 -2.053 . . . . 0.0 107.967 -161.231 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 37.1 tttp -53.95 -34.53 59.94 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 124.934 1.294 . . . . 0.0 112.505 -174.685 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 5.6 p -77.95 -29.44 15.79 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 C-N-CA 124.443 1.097 . . . . 0.0 113.311 178.629 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.6 t -71.82 -44.43 63.93 Favored 'General case' 0 N--CA 1.471 0.618 0 O-C-N 121.508 -0.745 . . . . 0.0 110.347 172.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -62.69 -39.48 94.1 Favored 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 113.159 0.8 . . . . 0.0 113.159 170.369 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -68.92 -34.83 76.03 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 119.858 1.208 . . . . 0.0 112.878 176.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 49.3 t80 -62.45 -40.39 96.47 Favored 'General case' 0 N--CA 1.471 0.587 0 O-C-N 120.997 -1.064 . . . . 0.0 111.773 169.421 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 43.9 t -60.93 -35.0 75.56 Favored 'General case' 0 N--CA 1.471 0.583 0 O-C-N 121.079 -1.013 . . . . 0.0 111.86 174.074 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 6.2 mp -69.36 -3.22 13.27 Favored 'General case' 0 CA--C 1.548 0.897 0 N-CA-C 115.024 1.49 . . . . 0.0 115.024 174.032 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 44.7 mmtm -111.04 -24.17 10.5 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 126.2 1.8 . . . . 0.0 114.133 163.398 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -135.83 -3.17 2.31 Favored 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 117.421 2.378 . . . . 0.0 117.421 -161.687 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 3.4 t 57.68 22.47 8.39 Favored 'General case' 0 CA--C 1.554 1.101 0 N-CA-C 116.103 1.89 . . . . 0.0 116.103 -177.038 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 16.8 ptpt -143.42 165.65 26.95 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 126.445 1.898 . . . . 0.0 111.172 174.302 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 31.2 m -55.64 155.17 5.9 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 122.459 0.304 . . . . 0.0 111.814 166.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 13.5 tt . . . . . 0 N--CA 1.476 0.864 0 CA-C-O 118.098 -0.953 . . . . 0.0 109.062 166.581 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.1 m . . . . . 0 CA--C 1.546 0.808 0 N-CA-C 112.323 0.49 . . . . 0.0 112.323 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 74.6 mtm -147.87 148.39 30.79 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 125.912 1.685 . . . . 0.0 108.766 170.147 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 55.9 mtmt -61.94 -48.68 79.31 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 123.611 0.764 . . . . 0.0 111.56 -178.667 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 33.7 mp0 -62.13 -40.54 96.28 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 123.712 0.805 . . . . 0.0 111.788 -178.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 66.8 t80 -62.93 -50.46 70.74 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 123.897 0.879 . . . . 0.0 111.601 176.085 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 57.5 m -64.77 -41.03 96.17 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 123.904 0.882 . . . . 0.0 112.419 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.47 -30.41 71.54 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 118.933 0.788 . . . . 0.0 112.777 175.733 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -69.46 -23.85 76.35 Favored Glycine 0 CA--C 1.537 1.439 0 O-C-N 121.423 -0.798 . . . . 0.0 114.556 174.748 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -118.97 -1.3 11.0 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 115.74 1.756 . . . . 0.0 115.74 -177.645 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -154.93 144.17 21.11 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 119.176 0.898 . . . . 0.0 112.421 -174.522 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 20.7 mmt85 -140.54 155.39 46.63 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.703 1.201 . . . . 0.0 114.068 -172.552 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 79.51 146.35 3.75 Favored Glycine 0 CA--C 1.534 1.224 0 N-CA-C 111.346 -0.702 . . . . 0.0 111.346 -162.424 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 64.1 mttm -55.77 -41.96 74.8 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 124.397 1.079 . . . . 0.0 113.273 -171.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.3 p -79.32 -33.54 15.6 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 N-CA-C 112.766 0.654 . . . . 0.0 112.766 -173.598 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -65.91 -47.73 73.8 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 125.006 1.322 . . . . 0.0 110.131 173.622 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -61.38 -40.48 94.48 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 113.277 0.843 . . . . 0.0 113.277 170.509 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -61.57 -39.8 92.46 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 119.14 0.882 . . . . 0.0 112.541 175.633 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 33.5 t80 -59.14 -41.04 87.34 Favored 'General case' 0 CA--C 1.538 0.498 0 O-C-N 122.056 -0.402 . . . . 0.0 111.825 172.163 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 45.5 t -68.01 -27.96 67.0 Favored 'General case' 0 CA--C 1.542 0.672 0 O-C-N 120.714 -1.241 . . . . 0.0 112.033 177.704 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 7.5 mp -78.67 -4.76 50.64 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 125.522 1.529 . . . . 0.0 114.455 170.414 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 57.1 mttp -108.99 -17.85 13.82 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 125.944 1.697 . . . . 0.0 113.564 169.431 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -143.25 -4.56 0.89 Allowed 'General case' 0 N--CA 1.477 0.909 0 N-CA-C 116.881 2.178 . . . . 0.0 116.881 -163.17 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 64.8 m 60.63 16.07 6.27 Favored 'General case' 0 N--CA 1.481 1.078 0 N-CA-C 116.709 2.114 . . . . 0.0 116.709 -175.261 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 17.9 ptpt -139.57 156.93 46.59 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 126.195 1.798 . . . . 0.0 111.802 177.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.7 t -69.7 156.58 38.76 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-O 121.281 0.562 . . . . 0.0 111.7 167.298 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 20.0 tt . . . . . 0 CA--C 1.544 0.732 0 C-N-CA 124.319 1.047 . . . . 0.0 113.011 -164.887 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.538 0.492 0 CA-C-O 120.396 0.141 . . . . 0.0 111.278 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 44.8 mtm -157.7 132.83 8.78 Favored 'General case' 0 C--O 1.239 0.514 0 C-N-CA 128.461 2.704 . . . . 0.0 108.162 163.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 34.0 mtmm -63.79 -44.77 92.36 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 124.639 1.176 . . . . 0.0 111.054 176.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 52.9 mp0 -65.54 -41.04 93.47 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 123.571 0.748 . . . . 0.0 112.241 -177.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 62.2 t80 -61.73 -41.24 97.38 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 126.383 1.873 . . . . 0.0 112.005 179.254 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 42.0 t -73.9 -56.66 4.68 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-O 119.321 -0.371 . . . . 0.0 111.436 174.123 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.68 -30.89 71.73 Favored 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 113.407 0.891 . . . . 0.0 113.407 -171.493 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -73.92 -19.4 79.76 Favored Glycine 0 CA--C 1.534 1.232 0 CA-C-O 119.027 -0.874 . . . . 0.0 114.803 176.538 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 86.4 mm-40 -113.52 -33.0 6.02 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 118.985 1.392 . . . . 0.0 113.411 -175.06 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 86.0 m -130.07 137.27 50.12 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 125.455 1.502 . . . . 0.0 110.963 -171.66 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 78.8 mtm-85 -133.69 168.18 19.16 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 113.69 0.996 . . . . 0.0 113.69 -168.706 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 87.09 134.59 4.14 Favored Glycine 0 CA--C 1.531 1.052 0 C-N-CA 125.082 1.325 . . . . 0.0 110.172 -161.045 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 82.8 tttt -55.34 -30.47 60.32 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 125.519 1.527 . . . . 0.0 112.555 -176.143 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.3 p -76.79 -38.48 29.73 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 N-CA-C 113.071 0.767 . . . . 0.0 113.071 179.433 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 6.3 t -69.9 -44.58 69.42 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 119.366 0.984 . . . . 0.0 109.595 174.532 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 82.5 mt-30 -63.4 -11.01 19.66 Favored 'General case' 0 CA--C 1.551 1.009 0 N-CA-C 116.663 2.098 . . . . 0.0 116.663 170.454 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -93.99 -45.51 7.56 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 125.436 1.494 . . . . 0.0 112.48 168.038 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 15.7 t80 -58.75 -39.79 81.95 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 123.323 0.649 . . . . 0.0 111.499 179.485 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 31.6 p -67.58 -28.29 67.65 Favored 'General case' 0 CA--C 1.534 0.349 0 O-C-N 121.046 -1.033 . . . . 0.0 112.183 178.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.4 mp -78.74 -5.74 54.02 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.179 0.992 . . . . 0.0 113.462 175.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 83.0 mttt -109.63 -18.93 13.36 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 127.0 2.12 . . . . 0.0 112.845 172.652 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -141.66 -5.36 1.05 Allowed 'General case' 0 N--CA 1.481 1.101 0 N-CA-C 117.971 2.582 . . . . 0.0 117.971 -164.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 7.4 t 64.51 -2.71 0.61 Allowed 'General case' 0 N--CA 1.484 1.269 0 CA-C-N 122.516 2.416 . . . . 0.0 115.753 -169.119 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 69.2 mttt -114.09 147.7 38.32 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 125.742 1.617 . . . . 0.0 111.424 -173.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 40.7 m -75.35 145.67 41.5 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-O 120.773 0.32 . . . . 0.0 110.295 164.7 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 20.1 tt . . . . . 0 CA--C 1.549 0.929 0 N-CA-C 114.12 1.155 . . . . 0.0 114.12 -159.245 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.3 m . . . . . 0 CA--C 1.54 0.588 0 N-CA-C 112.217 0.451 . . . . 0.0 112.217 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 72.2 mtm -149.13 137.75 21.08 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.577 1.151 . . . . 0.0 110.825 174.157 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 30.3 tttp -55.84 -39.02 70.84 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 125.379 1.471 . . . . 0.0 112.506 179.466 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 32.8 mp0 -66.75 -36.92 83.58 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.697 1.199 . . . . 0.0 112.975 176.277 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 64.7 t80 -71.11 -42.54 69.14 Favored 'General case' 0 N--CA 1.47 0.545 0 O-C-N 121.323 -0.86 . . . . 0.0 110.906 174.437 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 85.7 m -63.3 -39.82 95.64 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 123.512 0.725 . . . . 0.0 112.517 177.282 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.81 -28.3 62.48 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 118.959 0.799 . . . . 0.0 112.684 170.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -65.35 -46.02 88.18 Favored Glycine 0 CA--C 1.532 1.113 0 O-C-N 121.352 -0.842 . . . . 0.0 112.877 174.541 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 30.5 mm100 -98.07 -43.48 7.02 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.795 1.238 . . . . 0.0 114.298 -173.012 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 3.4 m -100.68 154.74 18.35 Favored 'General case' 0 CA--C 1.536 0.428 0 O-C-N 121.302 -0.874 . . . . 0.0 111.48 -166.341 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -138.52 144.33 39.9 Favored 'General case' 0 N--CA 1.471 0.585 0 N-CA-C 114.097 1.147 . . . . 0.0 114.097 178.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 91.43 140.28 8.95 Favored Glycine 0 CA--C 1.53 1.013 0 C-N-CA 124.808 1.194 . . . . 0.0 110.481 -163.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -62.3 -22.11 65.78 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 124.929 1.292 . . . . 0.0 113.515 -173.685 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 21.9 t -88.8 -37.43 10.15 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 C-N-CA 124.979 1.312 . . . . 0.0 111.269 177.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.6 m -65.61 -48.18 73.13 Favored 'General case' 0 C--O 1.232 0.155 0 C-N-CA 125.448 1.499 . . . . 0.0 111.575 175.638 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 90.7 mt-30 -60.3 -28.23 67.94 Favored 'General case' 0 CA--C 1.546 0.805 0 N-CA-C 113.893 1.071 . . . . 0.0 113.893 170.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -82.8 -33.99 27.1 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.263 1.025 . . . . 0.0 113.197 175.457 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 65.7 t80 -60.52 -33.8 73.16 Favored 'General case' 0 N--CA 1.471 0.616 0 O-C-N 120.62 -1.3 . . . . 0.0 111.157 172.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 20.4 t -68.44 -26.37 65.48 Favored 'General case' 0 CA--C 1.547 0.836 0 O-C-N 121.072 -1.017 . . . . 0.0 112.809 174.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.5 mp -78.26 -9.29 59.16 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 126.313 1.845 . . . . 0.0 114.049 169.745 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 58.2 mttp -101.97 -26.35 13.44 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 125.284 1.434 . . . . 0.0 112.453 169.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -140.48 2.54 1.84 Allowed 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 117.345 2.35 . . . . 0.0 117.345 -161.442 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 26.6 m 59.38 9.42 1.44 Allowed 'General case' 0 N--CA 1.482 1.128 0 N-CA-C 116.8 2.148 . . . . 0.0 116.8 -179.565 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.0 pttt -138.03 162.57 33.78 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 126.027 1.731 . . . . 0.0 111.825 172.288 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 68.6 m -73.88 157.79 35.67 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-O 121.649 0.738 . . . . 0.0 112.46 172.058 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 14.5 tt . . . . . 0 CA--C 1.552 1.034 0 C-N-CA 123.749 0.819 . . . . 0.0 112.774 -170.153 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.8 t . . . . . 0 CA--C 1.546 0.799 0 CA-C-O 119.778 -0.153 . . . . 0.0 110.746 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 83.0 mtp -157.38 144.43 18.39 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 127.517 2.327 . . . . 0.0 107.225 158.247 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 85.5 mttt -59.33 -45.22 91.95 Favored 'General case' 0 N--CA 1.48 1.049 0 CA-C-N 119.736 1.153 . . . . 0.0 112.692 -178.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 6.8 mp0 -66.93 -37.29 84.06 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.418 1.087 . . . . 0.0 113.256 179.072 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 84.1 t80 -65.33 -47.85 75.08 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.784 0.834 . . . . 0.0 110.768 177.067 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 92.7 m -65.65 -38.81 90.38 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-O 118.852 -0.594 . . . . 0.0 112.093 177.587 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.32 -33.64 76.18 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 119.157 0.889 . . . . 0.0 113.205 173.648 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -75.32 -47.55 12.59 Favored Glycine 0 CA--C 1.532 1.111 0 C-N-CA 124.689 1.138 . . . . 0.0 113.427 177.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 50.7 mm-40 -81.76 -41.88 20.57 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 118.477 1.139 . . . . 0.0 113.196 -177.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 10.7 m -110.59 167.64 10.07 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.689 1.196 . . . . 0.0 112.642 -169.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 81.3 mmt-85 -134.43 -168.48 2.15 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 124.932 1.293 . . . . 0.0 114.039 -175.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 67.8 6.18 42.6 Favored Glycine 0 CA--C 1.534 1.251 0 C-N-CA 126.159 1.837 . . . . 0.0 117.408 164.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 49.2 tttm 59.39 -30.05 0.04 OUTLIER 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 131.395 3.878 . . . . 0.0 114.639 -168.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 94.8 t -77.1 -42.71 31.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 C-N-CA 127.551 2.34 . . . . 0.0 113.018 175.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 16.2 t -71.1 -36.17 72.08 Favored 'General case' 0 N--CA 1.474 0.73 0 O-C-N 120.896 -1.127 . . . . 0.0 110.994 175.09 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 57.3 mt-30 -57.86 -41.93 83.46 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 123.856 0.862 . . . . 0.0 112.658 165.526 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -67.82 -42.11 82.03 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.37 1.068 . . . . 0.0 111.869 177.632 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 10.2 t80 -61.94 -38.34 88.07 Favored 'General case' 0 CA--C 1.535 0.393 0 N-CA-C 112.28 0.474 . . . . 0.0 112.28 171.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 41.4 t -66.21 -30.08 70.46 Favored 'General case' 0 CA--C 1.54 0.595 0 O-C-N 120.998 -1.064 . . . . 0.0 111.918 175.497 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.1 mp -73.84 -9.54 58.75 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 126.023 1.729 . . . . 0.0 114.539 170.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 59.3 mttp -107.39 -22.33 12.61 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 126.428 1.891 . . . . 0.0 113.708 172.589 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -142.92 -1.34 1.1 Allowed 'General case' 0 N--CA 1.479 1.019 0 N-CA-C 117.399 2.37 . . . . 0.0 117.399 -163.172 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.6 m 58.21 13.27 2.24 Favored 'General case' 0 N--CA 1.485 1.3 0 N-CA-C 116.6 2.074 . . . . 0.0 116.6 -171.721 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.3 ptpt -133.86 153.54 51.67 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 125.169 1.388 . . . . 0.0 112.088 178.544 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 59.7 m -70.69 150.99 45.4 Favored 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 169.748 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 18.4 tt . . . . . 0 CA--C 1.551 1.009 0 N-CA-C 113.224 0.824 . . . . 0.0 113.224 -163.943 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.8 t . . . . . 0 CA--C 1.545 0.778 0 N-CA-C 113.058 0.762 . . . . 0.0 113.058 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -170.92 138.7 1.35 Allowed 'General case' 0 N--CA 1.465 0.325 0 C-N-CA 128.306 2.643 . . . . 0.0 108.553 155.227 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 50.6 mtmt -66.23 -41.99 89.28 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-N 118.356 0.526 . . . . 0.0 111.457 179.53 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 21.7 mp0 -62.95 -38.59 91.68 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 124.724 1.209 . . . . 0.0 112.34 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 23.4 t80 -65.92 -51.21 60.56 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 124.478 1.111 . . . . 0.0 110.933 175.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 90.4 m -60.04 -44.96 94.31 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 123.052 0.541 . . . . 0.0 112.376 178.151 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -74.5 -23.5 58.85 Favored 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 113.763 1.023 . . . . 0.0 113.763 178.595 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -68.81 -49.36 43.0 Favored Glycine 0 CA--C 1.529 0.922 0 O-C-N 121.19 -0.944 . . . . 0.0 111.749 169.757 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -72.64 -49.06 34.39 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.09 0.956 . . . . 0.0 113.323 -177.49 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 74.2 m -141.78 157.48 44.97 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 113.999 1.111 . . . . 0.0 113.999 -163.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 84.2 mtm-85 -141.17 177.56 7.99 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 124.055 0.942 . . . . 0.0 112.441 174.694 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 93.98 123.62 3.75 Favored Glycine 0 CA--C 1.526 0.779 0 N-CA-C 107.478 -2.249 . . . . 0.0 107.478 -151.334 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -51.91 -38.16 55.23 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 123.942 0.897 . . . . 0.0 111.738 -176.696 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 46.2 t -84.36 -30.15 7.23 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 C-N-CA 124.406 1.082 . . . . 0.0 112.261 -175.409 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.5 t -63.12 -45.33 92.47 Favored 'General case' 0 N--CA 1.472 0.66 0 O-C-N 121.101 -0.999 . . . . 0.0 111.21 168.72 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 80.8 mt-30 -61.83 -35.35 77.99 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 113.257 0.836 . . . . 0.0 113.257 169.68 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -68.7 -42.77 77.28 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-N 120.047 1.294 . . . . 0.0 112.754 179.063 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -61.62 -36.15 79.92 Favored 'General case' 0 N--CA 1.468 0.469 0 O-C-N 121.675 -0.641 . . . . 0.0 111.321 172.676 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 44.0 t -71.24 -32.64 68.99 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 123.329 0.652 . . . . 0.0 112.198 177.267 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.6 mp -67.71 -25.15 65.52 Favored 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 113.363 0.875 . . . . 0.0 113.363 169.325 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 54.7 mttp -92.13 -32.82 14.99 Favored 'General case' 0 N--CA 1.48 1.029 0 N-CA-C 114.535 1.309 . . . . 0.0 114.535 177.31 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -131.35 2.58 4.22 Favored 'General case' 0 N--CA 1.478 0.953 0 N-CA-C 114.778 1.399 . . . . 0.0 114.778 -165.252 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 4.0 t 62.04 6.8 1.87 Allowed 'General case' 0 CA--C 1.552 1.031 0 C-N-CA 126.406 1.883 . . . . 0.0 115.008 -171.655 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 32.8 mttp -124.45 143.03 50.86 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 126.32 1.848 . . . . 0.0 110.759 -174.196 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 54.5 m -67.84 152.11 46.1 Favored 'General case' 0 C--N 1.322 -0.625 0 C-N-CA 123.182 0.593 . . . . 0.0 110.112 171.573 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 15.8 tt . . . . . 0 CA--C 1.542 0.667 0 CA-C-O 118.966 -0.54 . . . . 0.0 111.348 -170.746 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 7.8 t . . . . . 0 CA--C 1.537 0.449 0 N-CA-C 107.358 -1.349 . . . . 0.0 107.358 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 91.5 mmm -122.15 140.01 53.06 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.863 0.865 . . . . 0.0 108.955 134.32 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.85 -42.63 99.82 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 125.352 1.461 . . . . 0.0 112.648 -168.283 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 11.4 mp0 -72.54 -35.61 68.09 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.057 0.943 . . . . 0.0 111.3 -177.715 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 46.5 t80 -63.26 -44.28 95.58 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 123.756 0.822 . . . . 0.0 111.459 170.682 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 23.0 m -62.16 -32.44 73.06 Favored 'General case' 0 CA--C 1.539 0.52 0 N-CA-C 113.295 0.85 . . . . 0.0 113.295 177.016 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -73.41 -23.92 60.21 Favored 'General case' 0 CA--C 1.548 0.884 0 N-CA-C 113.939 1.088 . . . . 0.0 113.939 172.237 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -78.56 -28.54 55.03 Favored Glycine 0 CA--C 1.536 1.401 0 C-N-CA 124.266 0.936 . . . . 0.0 113.511 169.619 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 74.3 mm-40 -88.73 -28.25 20.65 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 125.052 1.341 . . . . 0.0 114.401 179.242 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -153.36 148.42 26.71 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 123.359 0.664 . . . . 0.0 112.51 -163.345 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 11.2 ptp180 -147.54 160.47 42.58 Favored 'General case' 0 N--CA 1.478 0.967 0 N-CA-C 114.553 1.316 . . . . 0.0 114.553 177.531 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 84.87 135.96 3.41 Favored Glycine 0 CA--C 1.535 1.328 0 N-CA-C 109.883 -1.287 . . . . 0.0 109.883 -146.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 37.4 ttpt -66.75 -29.82 69.88 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 124.136 0.975 . . . . 0.0 113.223 -173.457 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 26.1 t -75.57 -37.14 36.38 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.942 0 C-N-CA 124.926 1.291 . . . . 0.0 111.15 175.015 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -64.26 -48.26 76.43 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 125.249 1.42 . . . . 0.0 110.932 174.111 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 83.5 mt-30 -64.29 -39.31 93.67 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-O 118.68 -0.676 . . . . 0.0 112.507 171.568 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -59.16 -40.65 86.23 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 119.832 1.196 . . . . 0.0 112.23 174.438 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 40.1 t80 -60.98 -42.77 99.0 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 118.034 0.379 . . . . 0.0 111.86 171.182 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 42.5 t -67.31 -34.36 77.2 Favored 'General case' 0 CA--C 1.537 0.476 0 O-C-N 120.649 -1.282 . . . . 0.0 112.065 178.143 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 7.4 mp -68.23 -15.02 63.41 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 125.017 1.327 . . . . 0.0 113.576 172.012 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 77.0 mttt -98.86 -32.46 11.33 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 125.957 1.703 . . . . 0.0 112.701 174.027 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -132.46 -1.38 3.52 Favored 'General case' 0 N--CA 1.477 0.911 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -160.143 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 69.1 m 61.54 14.87 6.26 Favored 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 116.606 2.076 . . . . 0.0 116.606 -179.358 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 63.9 pttt -141.93 161.8 37.07 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 124.953 1.301 . . . . 0.0 111.788 170.223 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.2 t -68.36 153.61 43.41 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-O 121.985 0.898 . . . . 0.0 111.74 170.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 20.8 tt . . . . . 0 CA--C 1.551 1.013 0 C-N-CA 125.333 1.453 . . . . 0.0 112.895 -165.699 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.3 m . . . . . 0 CA--C 1.546 0.789 0 CA-C-O 119.66 -0.21 . . . . 0.0 110.673 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 72.2 mtm -143.95 140.16 29.51 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.251 1.02 . . . . 0.0 110.542 173.014 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 42.5 mtmt -54.21 -43.04 70.43 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 126.298 1.839 . . . . 0.0 111.542 174.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -59.63 -44.89 93.32 Favored 'General case' 0 N--CA 1.473 0.702 0 N-CA-C 113.477 0.917 . . . . 0.0 113.477 178.595 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 79.6 t80 -67.94 -47.1 69.62 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 123.82 0.848 . . . . 0.0 110.603 175.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 99.3 m -64.32 -33.67 76.38 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 113.784 1.031 . . . . 0.0 113.784 -178.623 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -80.41 -14.31 58.42 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 114.156 1.169 . . . . 0.0 114.156 178.608 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -86.31 -48.09 4.69 Favored Glycine 0 CA--C 1.534 1.242 0 C-N-CA 124.406 1.003 . . . . 0.0 112.048 166.546 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 75.8 mm-40 -72.85 -26.06 61.33 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 114.213 1.19 . . . . 0.0 114.213 -178.302 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -145.18 145.93 31.55 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 123.731 0.813 . . . . 0.0 112.573 -172.746 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 31.2 mmm180 -135.5 144.78 46.54 Favored 'General case' 0 N--CA 1.481 1.101 0 N-CA-C 113.979 1.103 . . . . 0.0 113.979 -168.687 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 88.54 147.69 14.98 Favored Glycine 0 CA--C 1.531 1.06 0 C-N-CA 124.395 0.998 . . . . 0.0 111.255 -164.295 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 55.0 tttm -59.74 -40.8 89.3 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.141 0.976 . . . . 0.0 112.486 -167.257 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 11.5 p -74.52 -33.39 32.55 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 C-N-CA 124.985 1.314 . . . . 0.0 113.128 -178.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -72.71 -47.27 48.55 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 126.095 1.758 . . . . 0.0 109.763 -178.454 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 92.6 mt-30 -55.97 -41.48 74.82 Favored 'General case' 0 CA--C 1.545 0.784 0 N-CA-C 112.508 0.559 . . . . 0.0 112.508 165.188 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -66.49 -33.13 74.99 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 124.205 1.002 . . . . 0.0 113.102 179.754 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 26.1 t80 -59.95 -46.15 90.34 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 123.551 0.741 . . . . 0.0 112.156 169.436 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 53.6 t -65.45 -28.55 69.3 Favored 'General case' 0 CA--C 1.541 0.626 0 O-C-N 121.318 -0.864 . . . . 0.0 112.094 178.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.3 mp -73.06 2.37 7.19 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 125.78 1.632 . . . . 0.0 114.786 169.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 79.2 mttt -125.84 -13.84 6.29 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 125.049 1.339 . . . . 0.0 114.238 168.187 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 90.1 m-70 -137.26 -2.73 2.0 Favored 'General case' 0 N--CA 1.477 0.915 0 N-CA-C 115.622 1.712 . . . . 0.0 115.622 -168.532 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 3.4 t 59.4 6.43 0.77 Allowed 'General case' 0 CA--C 1.551 0.99 0 N-CA-C 116.061 1.874 . . . . 0.0 116.061 -174.01 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.9 ptmm? -130.71 166.0 21.69 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 126.374 1.87 . . . . 0.0 112.148 -178.684 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 6.8 t -72.53 161.46 30.77 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-O 121.293 0.568 . . . . 0.0 112.494 172.209 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 20.8 tt . . . . . 0 CA--C 1.552 1.02 0 C-N-CA 127.02 2.128 . . . . 0.0 112.775 -171.318 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.2 t . . . . . 0 CA--C 1.538 0.488 0 N-CA-C 107.679 -1.23 . . . . 0.0 107.679 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 58.4 mtt -144.73 148.95 34.76 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 125.122 1.369 . . . . 0.0 107.784 147.484 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 39.5 ttpt -60.97 -43.68 98.44 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 119.199 0.909 . . . . 0.0 111.338 174.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 61.2 mp0 -62.85 -41.75 99.48 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 124.344 1.058 . . . . 0.0 112.496 178.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 65.6 t80 -60.82 -51.77 67.9 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 124.417 1.087 . . . . 0.0 110.752 174.562 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 62.7 m -65.77 -36.66 84.18 Favored 'General case' 0 CA--C 1.537 0.46 0 N-CA-C 113.585 0.957 . . . . 0.0 113.585 179.756 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.12 -36.9 80.49 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 123.713 0.805 . . . . 0.0 112.768 176.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -70.46 -51.79 19.69 Favored Glycine 0 CA--C 1.533 1.206 0 C-N-CA 123.689 0.662 . . . . 0.0 112.789 173.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 35.4 mm-40 -67.53 -39.82 85.04 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 123.987 0.915 . . . . 0.0 112.739 -176.219 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 5.6 m -127.72 153.58 46.35 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.617 1.167 . . . . 0.0 111.894 -168.52 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 15.8 ptp180 -153.34 159.25 42.44 Favored 'General case' 0 N--CA 1.479 0.987 0 N-CA-C 115.591 1.7 . . . . 0.0 115.591 178.799 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 85.74 135.24 3.65 Favored Glycine 0 CA--C 1.533 1.204 0 N-CA-C 109.035 -1.626 . . . . 0.0 109.035 -146.441 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -62.03 -37.62 85.6 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 117.866 0.833 . . . . 0.0 112.516 -171.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 48.9 t -72.27 -32.78 44.03 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 C-N-CA 124.053 0.941 . . . . 0.0 111.488 178.585 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.3 m -65.15 -42.78 93.48 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 124.595 1.158 . . . . 0.0 111.721 173.711 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 84.3 mt-30 -67.93 -41.53 82.41 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 113.072 0.767 . . . . 0.0 113.072 171.002 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -65.67 -31.23 72.13 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.643 1.177 . . . . 0.0 113.45 178.339 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 54.3 t80 -65.65 -41.64 92.34 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.686 0.795 . . . . 0.0 112.381 166.396 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 52.9 t -66.46 -30.09 70.36 Favored 'General case' 0 CA--C 1.537 0.473 0 O-C-N 121.23 -0.919 . . . . 0.0 111.244 178.385 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.3 mp -65.66 -12.28 52.15 Favored 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 114.476 1.287 . . . . 0.0 114.476 169.471 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -102.54 -28.57 12.09 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 124.833 1.253 . . . . 0.0 113.281 168.426 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 83.7 m-70 -126.71 -6.49 6.26 Favored 'General case' 0 N--CA 1.477 0.878 0 N-CA-C 116.591 2.071 . . . . 0.0 116.591 -161.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 4.5 t 56.48 11.92 0.95 Allowed 'General case' 0 CA--C 1.553 1.079 0 N-CA-C 115.189 1.551 . . . . 0.0 115.189 -169.43 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 32.7 mttp -131.79 158.19 41.89 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 126.301 1.84 . . . . 0.0 109.882 -175.402 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 48.1 m -73.43 157.62 36.53 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-O 121.64 0.733 . . . . 0.0 112.112 171.519 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 19.7 tt . . . . . 0 CA--C 1.543 0.678 0 C-N-CA 123.688 0.795 . . . . 0.0 112.879 -170.279 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.2 m . . . . . 0 CA--C 1.542 0.652 0 N-CA-C 110.204 -0.295 . . . . 0.0 110.204 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 85.7 mtp -148.23 134.98 19.95 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 126.092 1.757 . . . . 0.0 109.517 165.616 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 11.6 ptpt -68.38 -27.25 66.07 Favored 'General case' 0 N--CA 1.475 0.782 0 N-CA-C 113.909 1.077 . . . . 0.0 113.909 178.113 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 26.6 mp0 -64.03 -43.52 95.32 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 124.797 1.239 . . . . 0.0 111.963 170.328 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 18.8 t80 -70.2 -43.36 70.87 Favored 'General case' 0 N--CA 1.468 0.435 0 O-C-N 121.523 -0.736 . . . . 0.0 111.158 176.752 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 47.8 m -61.51 -36.72 81.32 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-O 118.357 -0.83 . . . . 0.0 112.984 174.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.21 -24.82 65.88 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 119.368 0.986 . . . . 0.0 113.099 172.455 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -74.73 -22.83 76.48 Favored Glycine 0 CA--C 1.534 1.28 0 C-N-CA 124.426 1.012 . . . . 0.0 114.182 170.572 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -99.95 -27.26 13.68 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 125.084 1.354 . . . . 0.0 114.03 179.015 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -158.13 145.38 18.04 Favored 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 113.042 0.756 . . . . 0.0 113.042 -158.084 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 9.5 ptp180 -146.96 162.6 38.41 Favored 'General case' 0 N--CA 1.476 0.827 0 N-CA-C 114.115 1.154 . . . . 0.0 114.115 174.684 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 90.93 144.87 13.05 Favored Glycine 0 CA--C 1.534 1.228 0 N-CA-C 110.472 -1.051 . . . . 0.0 110.472 -155.401 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 36.5 ttpt -56.23 -49.39 74.26 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 125.249 1.419 . . . . 0.0 112.117 -172.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 23.9 t -77.29 -33.47 19.97 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 C-N-CA 125.414 1.486 . . . . 0.0 111.291 -174.069 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.1 m -62.45 -49.41 75.55 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 125.347 1.459 . . . . 0.0 111.436 172.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -67.36 -37.38 83.12 Favored 'General case' 0 N--CA 1.468 0.449 0 N-CA-C 113.177 0.806 . . . . 0.0 113.177 172.763 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -59.79 -40.84 89.65 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 123.683 0.793 . . . . 0.0 112.022 174.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 34.1 t80 -60.8 -38.76 86.46 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 123.166 0.586 . . . . 0.0 112.193 170.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 35.0 t -70.11 -30.61 67.85 Favored 'General case' 0 CA--C 1.537 0.48 0 O-C-N 120.378 -1.451 . . . . 0.0 112.191 177.098 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 7.2 mp -76.3 1.0 17.32 Favored 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 114.405 1.261 . . . . 0.0 114.405 169.51 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 70.2 mttt -110.24 -21.07 12.42 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 126.148 1.779 . . . . 0.0 113.588 169.313 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 -144.45 -1.94 0.89 Allowed 'General case' 0 N--CA 1.48 1.059 0 N-CA-C 116.369 1.989 . . . . 0.0 116.369 -163.816 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 34.7 m 61.02 19.9 10.35 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 126.998 2.119 . . . . 0.0 116.395 -177.592 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 16.4 ptpt -150.79 162.61 40.41 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 126.789 2.036 . . . . 0.0 112.752 -177.533 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.7 t -75.0 155.43 37.34 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-O 122.403 1.097 . . . . 0.0 112.784 178.559 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 20.5 tt . . . . . 0 CA--C 1.547 0.854 0 C-N-CA 125.322 1.449 . . . . 0.0 113.137 -168.327 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 7.4 t . . . . . 0 CA--C 1.537 0.462 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 67.7 mtm -138.58 126.53 22.49 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 125.156 1.382 . . . . 0.0 108.712 164.235 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 25.2 ttpt -68.06 -26.58 65.93 Favored 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 114.359 1.244 . . . . 0.0 114.359 -165.414 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -81.77 -29.3 32.84 Favored 'General case' 0 N--CA 1.476 0.851 0 CA-C-N 119.282 0.946 . . . . 0.0 113.46 172.292 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 68.6 t80 -66.78 -41.69 87.25 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 124.083 0.953 . . . . 0.0 111.386 -179.185 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 96.3 m -72.52 -44.67 61.86 Favored 'General case' 0 CA--C 1.541 0.623 0 O-C-N 121.573 -0.704 . . . . 0.0 112.434 174.57 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.95 -29.33 69.72 Favored 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 114.068 1.136 . . . . 0.0 114.068 -178.71 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -77.84 -46.16 9.85 Favored Glycine 0 CA--C 1.528 0.898 0 C-N-CA 123.873 0.749 . . . . 0.0 113.448 176.121 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -70.99 -49.92 39.94 Favored 'General case' 0 CA--C 1.537 0.46 0 N-CA-C 113.506 0.928 . . . . 0.0 113.506 -175.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 74.6 m -130.72 157.89 41.58 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 124.698 1.199 . . . . 0.0 111.698 -164.36 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 69.4 mtt180 -144.69 166.94 23.77 Favored 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 113.775 1.028 . . . . 0.0 113.775 -175.768 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 90.4 128.09 3.68 Favored Glycine 0 CA--C 1.531 1.055 0 N-CA-C 107.763 -2.135 . . . . 0.0 107.763 -147.768 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 67.5 tttt -68.99 -23.03 64.06 Favored 'General case' 0 N--CA 1.472 0.645 0 O-C-N 121.953 -0.733 . . . . 0.0 112.329 -171.489 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 10.9 t -89.1 -28.31 5.23 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 C-N-CA 126.037 1.735 . . . . 0.0 111.383 174.442 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 16.1 t -61.14 -49.13 78.49 Favored 'General case' 0 N--CA 1.48 1.04 0 CA-C-N 119.653 1.115 . . . . 0.0 110.561 165.698 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 82.3 mt-30 -59.57 -42.38 92.32 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 123.392 0.677 . . . . 0.0 112.771 171.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -62.58 -39.84 95.0 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 113.549 0.944 . . . . 0.0 113.549 174.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 55.8 t80 -66.71 -36.66 83.0 Favored 'General case' 0 CA--C 1.536 0.438 0 O-C-N 121.337 -0.852 . . . . 0.0 111.147 176.46 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 43.7 t -69.73 -32.22 70.65 Favored 'General case' 0 CA--C 1.535 0.39 0 N-CA-C 112.604 0.594 . . . . 0.0 112.604 172.599 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.9 mp -62.34 -48.24 80.7 Favored 'General case' 0 CA--C 1.543 0.696 0 O-C-N 120.707 -1.246 . . . . 0.0 111.081 167.035 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 60.2 mttp -68.67 -31.78 71.14 Favored 'General case' 0 N--CA 1.476 0.868 0 N-CA-C 114.939 1.459 . . . . 0.0 114.939 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 94.3 m-70 -133.93 3.62 3.48 Favored 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 115.569 1.692 . . . . 0.0 115.569 -166.551 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . 0.254 1.8 t 54.94 11.25 0.46 Allowed 'General case' 0 N--CA 1.481 1.112 0 N-CA-C 116.683 2.105 . . . . 0.0 116.683 -177.23 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 9.4 ptpp? -132.5 151.32 51.95 Favored 'General case' 0 N--CA 1.466 0.327 0 C-N-CA 127.854 2.462 . . . . 0.0 109.212 174.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 70.0 m -75.82 159.49 30.95 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-O 121.16 0.505 . . . . 0.0 112.271 -177.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 15.9 tt . . . . . 0 CA--C 1.551 0.992 0 C-N-CA 124.97 1.308 . . . . 0.0 112.452 -171.635 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 6.0 t . . . . . 0 CA--C 1.541 0.614 0 CA-C-O 120.694 0.283 . . . . 0.0 111.661 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 71.3 mtp -151.8 129.41 11.49 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 127.238 2.215 . . . . 0.0 107.209 163.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 30.6 mtmm -68.0 -39.39 83.24 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 124.695 1.198 . . . . 0.0 112.698 -174.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -67.89 -45.77 73.51 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 123.676 0.79 . . . . 0.0 111.302 177.716 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 81.2 t80 -56.15 -53.55 55.71 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.556 1.142 . . . . 0.0 111.365 172.426 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 23.3 m -61.38 -32.07 71.98 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-O 118.111 -0.947 . . . . 0.0 113.088 -179.138 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.16 -31.35 69.95 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-N 120.026 1.285 . . . . 0.0 113.042 174.671 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -81.22 -25.49 54.86 Favored Glycine 0 CA--C 1.532 1.118 0 O-C-N 121.57 -0.706 . . . . 0.0 114.339 175.104 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 97.3 mm-40 -81.82 -48.01 12.12 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 117.817 0.809 . . . . 0.0 111.465 172.678 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 20.4 m -131.6 144.71 51.26 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 125.397 1.479 . . . . 0.0 111.746 -158.336 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 27.5 mmm180 -135.07 153.59 51.99 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 113.044 0.757 . . . . 0.0 113.044 -170.102 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 74.75 149.84 2.03 Favored Glycine 0 CA--C 1.532 1.118 0 CA-C-N 115.525 -0.761 . . . . 0.0 111.33 -162.529 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 53.7 tptt -55.42 -39.35 70.14 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 125.522 1.529 . . . . 0.0 112.473 -176.215 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 5.3 p -78.73 -34.29 17.32 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 N-CA-C 113.495 0.924 . . . . 0.0 113.495 -174.069 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.4 t -72.63 -42.26 64.62 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 118.372 0.533 . . . . 0.0 111.119 172.532 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -59.27 -42.2 90.68 Favored 'General case' 0 CA--C 1.546 0.816 0 N-CA-C 113.099 0.777 . . . . 0.0 113.099 168.355 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -62.99 -39.8 95.82 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.595 1.158 . . . . 0.0 112.334 175.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 17.8 t80 -62.44 -44.01 97.45 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 122.779 0.431 . . . . 0.0 112.056 171.226 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 36.6 t -64.73 -24.67 67.64 Favored 'General case' 0 N--CA 1.471 0.593 0 O-C-N 121.315 -0.865 . . . . 0.0 112.243 177.652 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.0 mp -81.17 -2.04 46.98 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 125.573 1.549 . . . . 0.0 114.754 172.621 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 51.0 mtmt -122.36 -19.48 6.43 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 125.434 1.493 . . . . 0.0 114.06 172.761 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 79.7 m-70 -137.69 1.87 2.37 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 125.33 1.452 . . . . 0.0 114.207 -169.393 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 4.2 t 45.55 35.57 2.11 Favored 'General case' 0 CA--C 1.548 0.901 0 N-CA-C 116.204 1.928 . . . . 0.0 116.204 -177.5 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 6.5 ptpp? -151.71 165.3 34.83 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 126.638 1.975 . . . . 0.0 110.477 173.331 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 29.7 m -76.33 148.18 37.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 117.603 0.183 . . . . 0.0 111.462 176.3 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 18.7 tt . . . . . 0 CA--C 1.546 0.806 0 C-N-CA 124.137 0.975 . . . . 0.0 113.174 -169.574 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.2 m . . . . . 0 CA--C 1.543 0.688 0 CA-C-O 119.345 -0.36 . . . . 0.0 110.12 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 98.1 mtp -148.5 137.31 21.58 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 119.337 0.971 . . . . 0.0 110.942 173.107 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 45.2 mtmt -56.98 -45.34 82.98 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 125.206 1.402 . . . . 0.0 111.866 178.785 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 26.9 mp0 -69.45 -42.65 74.65 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 124.259 1.024 . . . . 0.0 111.288 -175.303 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 83.2 t80 -61.66 -50.37 72.8 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 124.603 1.161 . . . . 0.0 111.05 175.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 50.9 m -63.26 -34.18 77.1 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.101 0.96 . . . . 0.0 112.974 178.472 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.35 -19.76 63.02 Favored 'General case' 0 CA--C 1.546 0.798 0 N-CA-C 113.597 0.962 . . . . 0.0 113.597 176.124 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -87.11 -34.36 10.87 Favored Glycine 0 CA--C 1.535 1.334 0 C-N-CA 124.856 1.217 . . . . 0.0 113.063 168.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 15.3 mm-40 -71.08 -38.05 72.45 Favored 'General case' 0 CA--C 1.538 0.511 0 O-C-N 121.504 -0.998 . . . . 0.0 112.984 176.391 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -150.63 150.79 31.6 Favored 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 113.161 0.8 . . . . 0.0 113.161 -160.287 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 10.7 ptp85 -144.05 152.05 40.48 Favored 'General case' 0 N--CA 1.482 1.155 0 N-CA-C 115.162 1.541 . . . . 0.0 115.162 -179.232 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 92.28 143.99 13.25 Favored Glycine 0 CA--C 1.535 1.34 0 C-N-CA 124.928 1.251 . . . . 0.0 110.028 -157.336 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 30.7 mmmt -63.66 -36.04 82.53 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 118.019 0.91 . . . . 0.0 112.533 -170.676 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 14.2 t -79.08 -34.23 16.46 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 C-N-CA 124.513 1.125 . . . . 0.0 110.933 178.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.7 m -62.89 -46.78 86.25 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 124.083 0.953 . . . . 0.0 111.308 172.764 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -65.77 -38.97 90.49 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 113.512 0.93 . . . . 0.0 113.512 169.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -59.22 -41.25 88.18 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 120.123 1.328 . . . . 0.0 110.749 174.618 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 16.1 t80 -58.6 -39.04 79.29 Favored 'General case' 0 CA--C 1.538 0.51 0 O-C-N 121.472 -0.768 . . . . 0.0 112.253 174.279 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 35.1 t -72.5 -30.9 64.92 Favored 'General case' 0 CA--C 1.538 0.495 0 O-C-N 121.148 -0.97 . . . . 0.0 112.503 175.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 7.0 mp -74.57 -14.65 60.82 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 124.9 1.28 . . . . 0.0 113.854 170.165 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 47.1 mmtm -91.57 -31.03 16.07 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 125.26 1.424 . . . . 0.0 112.736 167.421 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.414 ' O ' ' HE3' ' A' ' 27' ' ' LYS . 98.5 m-70 -137.24 3.06 2.58 Favored 'General case' 0 N--CA 1.482 1.138 0 N-CA-C 117.274 2.324 . . . . 0.0 117.274 -162.264 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 68.5 m 58.05 18.79 5.43 Favored 'General case' 0 CA--C 1.552 1.029 0 CA-C-N 121.924 2.147 . . . . 0.0 115.755 -176.786 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.414 ' HE3' ' O ' ' A' ' 25' ' ' HIS . 10.2 ptpt -146.2 156.36 43.35 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 126.845 2.058 . . . . 0.0 111.557 -179.011 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 19.7 t -73.17 162.15 29.75 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-O 121.972 0.892 . . . . 0.0 111.946 176.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 16.9 tt . . . . . 0 CA--C 1.548 0.903 0 C-N-CA 124.319 1.048 . . . . 0.0 111.87 -176.12 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.3 m . . . . . 0 CA--C 1.545 0.786 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 67.0 mtm -150.6 144.82 25.51 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 124.867 1.267 . . . . 0.0 110.953 165.484 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -57.1 -45.17 83.6 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.297 1.039 . . . . 0.0 111.208 167.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -62.47 -32.99 73.97 Favored 'General case' 0 N--CA 1.477 0.912 0 N-CA-C 114.509 1.3 . . . . 0.0 114.509 -175.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 45.5 t80 -75.3 -53.81 8.14 Favored 'General case' 0 C--O 1.237 0.446 0 C-N-CA 123.486 0.715 . . . . 0.0 110.624 173.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -68.75 -20.51 64.37 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-O 117.875 -1.06 . . . . 0.0 113.44 -174.599 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.31 -17.73 55.1 Favored 'General case' 0 CA--C 1.546 0.817 0 CA-C-N 120.233 1.379 . . . . 0.0 113.875 171.258 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -90.19 -11.55 62.81 Favored Glycine 0 CA--C 1.54 1.62 0 CA-C-N 119.296 0.953 . . . . 0.0 114.895 170.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 72.7 mm-40 -116.27 -45.82 2.82 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-N 118.949 1.374 . . . . 0.0 112.608 -172.083 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 14.5 m -127.47 135.65 50.69 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 127.009 2.124 . . . . 0.0 110.044 -165.457 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 77.1 mtt85 -137.26 158.4 44.5 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 115.371 1.619 . . . . 0.0 115.371 -171.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 77.06 149.38 3.27 Favored Glycine 0 CA--C 1.532 1.115 0 CA-C-N 114.664 -1.153 . . . . 0.0 111.121 -160.489 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 39.5 ttmt -55.71 -34.45 65.12 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 124.922 1.289 . . . . 0.0 112.748 -174.443 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 47.2 t -81.15 -38.41 16.62 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 C-N-CA 124.233 1.013 . . . . 0.0 113.068 -173.292 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 10.8 t -67.95 -43.69 78.51 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 123.884 0.874 . . . . 0.0 110.944 172.085 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -61.89 -37.37 84.32 Favored 'General case' 0 CA--C 1.549 0.934 0 N-CA-C 113.496 0.925 . . . . 0.0 113.496 168.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -67.21 -35.42 79.57 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-N 119.86 1.209 . . . . 0.0 112.397 174.386 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 51.5 t80 -64.47 -39.8 94.48 Favored 'General case' 0 N--CA 1.47 0.568 0 O-C-N 121.276 -0.89 . . . . 0.0 112.024 168.376 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 41.3 t -62.79 -34.47 77.33 Favored 'General case' 0 N--CA 1.473 0.724 0 O-C-N 121.199 -0.938 . . . . 0.0 111.609 175.593 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.4 mp -67.67 -6.44 20.62 Favored 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 115.111 1.523 . . . . 0.0 115.111 172.78 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 11.0 mttm -115.04 -23.36 9.09 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 124.87 1.268 . . . . 0.0 112.43 172.112 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -140.86 2.05 1.73 Allowed 'General case' 0 CA--C 1.545 0.773 0 N-CA-C 117.037 2.236 . . . . 0.0 117.037 -163.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 73.2 m 55.39 15.46 1.41 Allowed 'General case' 0 CA--C 1.556 1.176 0 N-CA-C 116.68 2.104 . . . . 0.0 116.68 178.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -130.66 168.13 17.64 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 127.935 2.494 . . . . 0.0 110.24 175.248 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 21.7 m -73.59 167.63 20.94 Favored 'General case' 0 CA--C 1.543 0.695 0 O-C-N 122.342 -0.224 . . . . 0.0 110.966 167.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 19.9 tt . . . . . 0 CA--C 1.549 0.934 0 CA-C-O 118.116 -0.945 . . . . 0.0 112.239 -177.14 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 1.002 0 N-CA-C 110.781 -0.928 . . . . 0.0 110.781 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 79.9 p -74.42 -1.28 20.41 Favored 'General case' 0 N--CA 1.477 0.911 0 N-CA-C 115.766 1.765 . . . . 0.0 115.766 178.046 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 95.53 105.71 2.1 Favored Glycine 0 CA--C 1.532 1.148 0 C-N-CA 125.673 1.606 . . . . 0.0 110.756 -167.156 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -58.78 -59.04 6.06 Favored 'General case' 0 CA--C 1.546 0.812 0 O-C-N 119.704 -2.056 . . . . 0.0 107.634 -45.304 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 50.5 mtt -138.25 143.41 40.08 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.493 1.517 . . . . 0.0 107.412 145.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 32.6 ttpt -65.81 -23.54 66.72 Favored 'General case' 0 N--CA 1.481 1.095 0 CA-C-N 119.776 1.171 . . . . 0.0 113.039 -178.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 24.1 mp0 -68.6 -57.28 5.96 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.802 1.641 . . . . 0.0 110.843 170.51 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 67.4 t80 -53.33 -47.35 69.38 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 125.119 1.368 . . . . 0.0 111.831 177.021 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 80.7 m -63.5 -32.45 73.9 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-O 117.98 -1.01 . . . . 0.0 113.285 -176.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -82.72 -23.9 33.84 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 120.223 1.374 . . . . 0.0 113.697 173.199 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -75.75 -10.39 84.89 Favored Glycine 0 CA--C 1.536 1.404 0 C-N-CA 125.384 1.468 . . . . 0.0 114.834 171.322 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 64.8 mm-40 -122.16 -39.43 2.59 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-N 118.786 1.293 . . . . 0.0 114.09 178.354 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.413 ' SG ' ' HB3' ' A' ' 18' ' ' SER . 10.4 t -129.61 153.72 47.8 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.561 1.145 . . . . 0.0 111.652 -169.312 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 28.6 mmm180 -132.77 138.48 47.17 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 116.04 1.867 . . . . 0.0 116.04 -164.297 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 88.65 153.69 27.23 Favored Glycine 0 CA--C 1.531 1.033 0 C-N-CA 124.985 1.279 . . . . 0.0 111.942 -173.012 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -57.5 -43.14 83.94 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.974 1.31 . . . . 0.0 112.027 -167.445 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 39.7 t -80.77 -35.37 14.73 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 C-N-CA 124.754 1.222 . . . . 0.0 111.505 -173.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.413 ' HB3' ' SG ' ' A' ' 13' ' ' CYS . 1.5 m -65.03 -49.87 68.45 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 124.713 1.205 . . . . 0.0 111.107 173.171 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 81.5 mt-30 -58.61 -39.08 79.42 Favored 'General case' 0 CA--C 1.549 0.928 0 N-CA-C 112.965 0.728 . . . . 0.0 112.965 169.274 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -64.92 -36.16 83.47 Favored 'General case' 0 CA--C 1.541 0.621 0 O-C-N 120.54 -1.35 . . . . 0.0 112.72 174.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 18.8 t80 -62.36 -38.33 89.13 Favored 'General case' 0 CA--C 1.538 0.486 0 O-C-N 121.537 -0.727 . . . . 0.0 111.379 171.573 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 41.1 t -67.92 -33.46 74.72 Favored 'General case' 0 CA--C 1.542 0.649 0 O-C-N 121.268 -0.895 . . . . 0.0 112.42 175.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.3 mp -62.97 -20.36 65.18 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.329 1.452 . . . . 0.0 114.581 170.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 54.0 mttp -103.06 -35.61 8.46 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 126.053 1.741 . . . . 0.0 112.967 179.042 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -128.88 2.24 5.36 Favored 'General case' 0 N--CA 1.477 0.92 0 N-CA-C 114.755 1.391 . . . . 0.0 114.755 -163.032 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 91.2 m 53.69 27.03 6.4 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 125.563 1.545 . . . . 0.0 114.621 -177.535 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.3 ptmm? -148.16 164.97 32.3 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 125.976 1.71 . . . . 0.0 111.32 178.548 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.8 t -73.6 159.29 33.31 Favored 'General case' 0 CA--C 1.542 0.662 0 CA-C-O 121.449 0.642 . . . . 0.0 111.815 172.41 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 19.4 tt -77.88 137.15 62.06 Favored Pre-proline 0 CA--C 1.544 0.744 0 C-N-CA 124.546 1.138 . . . . 0.0 111.558 -172.488 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_endo -72.87 165.8 31.78 Favored 'Trans proline' 0 CA--C 1.543 0.959 0 C-N-CA 122.883 2.389 . . . . 0.0 113.097 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 31.1 mmt180 . . . . . 0 C--O 1.257 1.469 0 C-N-CA 126.171 1.788 . . . . 0.0 111.358 -179.846 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.329 0 N-CA-C 110.545 -1.022 . . . . 0.0 110.545 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.1 p -108.78 155.22 21.02 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.753 1.221 . . . . 0.0 111.673 164.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -132.92 -66.73 0.08 OUTLIER Glycine 0 N--CA 1.467 0.76 0 C-N-CA 128.903 3.144 . . . . 0.0 110.831 -1.074 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 23.4 t -142.76 -101.68 0.13 Allowed 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 126.144 1.778 . . . . 0.0 107.104 171.136 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 64.9 mtt -150.67 138.34 19.78 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 126.953 2.101 . . . . 0.0 108.043 160.258 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 30.3 ttmt -60.61 -45.54 93.65 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.253 1.021 . . . . 0.0 113.221 -171.668 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 80.1 mt-10 -70.94 -42.76 69.39 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.62 1.168 . . . . 0.0 111.49 -177.713 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 66.2 t80 -58.41 -43.24 88.54 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 125.281 1.432 . . . . 0.0 111.682 176.51 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 52.6 m -65.76 -43.68 88.17 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 124.339 1.056 . . . . 0.0 112.557 176.622 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.46 -26.73 68.67 Favored 'General case' 0 CA--C 1.547 0.83 0 CA-C-N 118.505 0.593 . . . . 0.0 112.094 170.158 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -75.08 -8.85 83.7 Favored Glycine 0 CA--C 1.539 1.561 0 C-N-CA 125.104 1.335 . . . . 0.0 116.074 172.047 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -132.27 -9.89 3.31 Favored 'General case' 0 N--CA 1.481 1.078 0 N-CA-C 116.894 2.183 . . . . 0.0 116.894 176.129 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -145.96 155.17 42.66 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-N 120.251 1.387 . . . . 0.0 111.714 -175.819 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 9.7 ptp180 -153.77 148.75 26.71 Favored 'General case' 0 N--CA 1.482 1.159 0 N-CA-C 115.739 1.755 . . . . 0.0 115.739 -174.307 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 90.66 140.29 8.51 Favored Glycine 0 CA--C 1.534 1.23 0 N-CA-C 109.465 -1.454 . . . . 0.0 109.465 -153.215 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.4 tmtm? -66.84 -35.14 79.36 Favored 'General case' 0 N--CA 1.477 0.914 0 CA-C-N 118.414 1.107 . . . . 0.0 112.4 -169.239 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.7 p -71.96 -31.76 41.68 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 C-N-CA 123.728 0.811 . . . . 0.0 112.564 175.154 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.8 m -72.55 -45.45 59.23 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 125.855 1.662 . . . . 0.0 110.429 178.478 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 79.7 mt-30 -63.74 -35.31 80.15 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 123.631 0.772 . . . . 0.0 112.307 168.46 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -64.15 -39.89 94.97 Favored 'General case' 0 N--CA 1.474 0.757 0 O-C-N 120.956 -1.09 . . . . 0.0 112.3 172.412 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 10.0 t80 -56.14 -37.99 70.22 Favored 'General case' 0 N--CA 1.47 0.527 0 O-C-N 121.436 -0.79 . . . . 0.0 111.642 170.565 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 49.8 t -71.09 -33.18 69.94 Favored 'General case' 0 CA--C 1.539 0.55 0 O-C-N 120.632 -1.293 . . . . 0.0 112.44 177.56 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 7.6 mp -70.9 -18.7 62.66 Favored 'General case' 0 CA--C 1.546 0.818 0 N-CA-C 114.327 1.232 . . . . 0.0 114.327 169.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 56.9 mttp -101.93 -16.83 16.4 Favored 'General case' 0 N--CA 1.48 1.032 0 N-CA-C 115.026 1.491 . . . . 0.0 115.026 175.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 68.2 m-70 -139.67 -10.12 1.21 Allowed 'General case' 0 N--CA 1.479 0.989 0 N-CA-C 115.567 1.692 . . . . 0.0 115.567 -170.15 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . 0.25 2.8 t 54.55 34.9 22.23 Favored 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 125.72 1.608 . . . . 0.0 113.875 -171.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 46.9 mttp -143.99 159.26 42.9 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 129.222 3.009 . . . . 0.0 109.814 -178.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 10.8 t -76.77 161.83 28.16 Favored 'General case' 0 CA--C 1.545 0.753 0 CA-C-O 121.949 0.88 . . . . 0.0 111.42 164.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 19.1 tt -75.13 146.64 82.33 Favored Pre-proline 0 CA--C 1.545 0.775 0 C-N-CA 125.509 1.524 . . . . 0.0 112.076 -173.323 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -96.18 159.04 1.34 Allowed 'Trans proline' 0 CA--C 1.539 0.759 0 C-N-CA 123.346 2.697 . . . . 0.0 112.926 170.71 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 64.9 mtp180 . . . . . 0 C--O 1.254 1.332 0 C-N-CA 125.814 1.646 . . . . 0.0 111.466 166.853 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.048 0 N-CA-C 111.409 -0.676 . . . . 0.0 111.409 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 61.6 p -131.67 -7.45 3.63 Favored 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 114.451 1.278 . . . . 0.0 114.451 175.144 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -161.54 164.72 35.25 Favored Glycine 0 CA--C 1.531 1.088 0 C-N-CA 124.347 0.975 . . . . 0.0 113.316 166.445 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 7.1 t -127.86 -83.15 0.6 Allowed 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 124.835 1.254 . . . . 0.0 109.398 169.149 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 83.7 mtp -142.54 130.77 22.1 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 125.22 1.408 . . . . 0.0 108.372 157.206 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 21.8 ttpp -66.95 -34.72 78.4 Favored 'General case' 0 N--CA 1.472 0.628 0 O-C-N 121.635 -0.666 . . . . 0.0 112.648 -174.506 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -69.89 -30.99 68.57 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 113.169 0.803 . . . . 0.0 113.169 177.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 92.7 t80 -67.5 -53.3 29.85 Favored 'General case' 0 CA--C 1.531 0.23 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 169.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 84.7 m -65.03 -38.89 92.38 Favored 'General case' 0 CA--C 1.535 0.383 0 N-CA-C 114.255 1.205 . . . . 0.0 114.255 -175.489 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -74.49 -19.16 60.48 Favored 'General case' 0 CA--C 1.54 0.575 0 N-CA-C 113.468 0.914 . . . . 0.0 113.468 174.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -81.93 -49.88 5.15 Favored Glycine 0 CA--C 1.529 0.949 0 C-N-CA 123.58 0.609 . . . . 0.0 112.348 174.031 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 10.8 mm100 -83.95 -18.36 37.53 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 125.037 1.335 . . . . 0.0 114.448 -175.033 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.7 t -139.26 148.69 43.38 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 124.551 1.14 . . . . 0.0 111.782 -173.399 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.82 151.35 41.06 Favored 'General case' 0 N--CA 1.479 1.013 0 N-CA-C 113.734 1.013 . . . . 0.0 113.734 -171.136 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 89.09 139.49 7.13 Favored Glycine 0 CA--C 1.533 1.194 0 C-N-CA 124.919 1.247 . . . . 0.0 110.171 -157.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 58.1 tttm -60.33 -39.05 85.71 Favored 'General case' 0 N--CA 1.479 0.994 0 CA-C-N 118.159 0.979 . . . . 0.0 112.224 -169.534 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 38.7 t -83.31 -26.56 7.77 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.502 0 C-N-CA 123.95 0.9 . . . . 0.0 111.852 -177.625 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.3 m -65.51 -49.04 70.46 Favored 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 124.543 1.137 . . . . 0.0 111.203 168.463 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -58.31 -40.34 81.77 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 122.861 0.464 . . . . 0.0 112.053 171.354 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -65.63 -39.47 91.49 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 112.96 0.726 . . . . 0.0 112.96 174.603 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 23.2 t80 -57.44 -35.68 70.42 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 120.006 1.275 . . . . 0.0 111.538 173.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 44.8 t -73.63 -31.34 63.47 Favored 'General case' 0 CA--C 1.535 0.375 0 O-C-N 121.492 -0.755 . . . . 0.0 112.378 176.418 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 6.7 mp -63.25 -44.77 94.26 Favored 'General case' 0 CA--C 1.544 0.712 0 O-C-N 120.912 -1.118 . . . . 0.0 111.121 165.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 48.4 mmtm -65.12 -35.82 82.32 Favored 'General case' 0 N--CA 1.474 0.755 0 O-C-N 121.033 -1.042 . . . . 0.0 113.715 178.014 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 89.7 m-70 -133.83 -4.43 2.84 Favored 'General case' 0 N--CA 1.484 1.232 0 N-CA-C 116.596 2.072 . . . . 0.0 116.596 -163.429 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . 0.268 1.8 t 50.71 36.07 13.33 Favored 'General case' 0 CA--C 1.552 1.037 0 N-CA-C 115.659 1.726 . . . . 0.0 115.659 -171.068 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.4 ptpt -145.22 158.0 43.93 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 127.013 2.125 . . . . 0.0 110.128 167.59 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 9.0 t -71.13 161.14 31.61 Favored 'General case' 0 CA--C 1.544 0.717 0 CA-C-O 121.413 0.625 . . . . 0.0 111.793 170.122 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 20.7 tt -77.78 144.02 68.02 Favored Pre-proline 0 CA--C 1.548 0.891 0 C-N-CA 125.195 1.398 . . . . 0.0 112.853 -169.482 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -63.35 169.38 9.62 Favored 'Trans proline' 0 CA--C 1.54 0.794 0 C-N-CA 123.343 2.695 . . . . 0.0 114.458 171.475 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 44.0 ttp180 . . . . . 0 C--O 1.253 1.258 0 C-N-CA 126.438 1.895 . . . . 0.0 112.989 174.101 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.205 0 N-CA-C 111.504 -0.638 . . . . 0.0 111.504 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 74.9 m -122.04 153.38 38.69 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 126.048 1.739 . . . . 0.0 112.203 -178.718 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 81.56 -171.8 53.1 Favored Glycine 0 CA--C 1.536 1.387 0 O-C-N 121.587 -0.696 . . . . 0.0 114.707 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 18.0 t -122.04 -77.36 0.59 Allowed 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 124.011 0.925 . . . . 0.0 110.95 170.333 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 94.3 mtp -139.41 115.31 10.19 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 126.476 1.91 . . . . 0.0 107.858 168.078 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 27.8 ttpp -57.43 -43.6 83.99 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 125.329 1.451 . . . . 0.0 112.938 -171.237 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -72.84 -42.69 63.5 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.382 0.673 . . . . 0.0 111.372 -176.638 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 79.0 t80 -56.38 -51.83 66.86 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 124.95 1.3 . . . . 0.0 111.128 176.273 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 66.9 m -67.48 -38.04 83.78 Favored 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 112.858 0.688 . . . . 0.0 112.858 -179.347 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.65 -26.41 65.31 Favored 'General case' 0 CA--C 1.547 0.854 0 N-CA-C 113.766 1.024 . . . . 0.0 113.766 175.77 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -94.14 -39.54 4.8 Favored Glycine 0 CA--C 1.534 1.263 0 C-N-CA 124.994 1.283 . . . . 0.0 114.963 -176.676 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 97.2 mm-40 -87.79 -18.47 29.29 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-N 119.106 1.453 . . . . 0.0 113.674 178.168 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.7 t -128.82 146.84 50.81 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.87 1.268 . . . . 0.0 111.923 -178.444 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 14.4 mmt85 -141.8 148.58 39.12 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 114.655 1.354 . . . . 0.0 114.655 -171.346 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 88.15 144.15 9.43 Favored Glycine 0 CA--C 1.531 1.078 0 N-CA-C 110.022 -1.231 . . . . 0.0 110.022 -159.486 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 26.8 tptp -53.98 -47.52 71.31 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 125.46 1.504 . . . . 0.0 112.412 -175.01 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 21.8 t -78.0 -33.62 18.49 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.574 0 C-N-CA 125.391 1.476 . . . . 0.0 111.097 -174.278 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.8 m -62.62 -50.33 71.67 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 124.381 1.072 . . . . 0.0 111.496 171.032 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -59.16 -41.77 89.14 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 112.438 0.532 . . . . 0.0 112.438 172.356 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -64.4 -39.82 94.6 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.334 0.653 . . . . 0.0 112.472 177.056 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 23.3 t80 -55.19 -39.06 69.16 Favored 'General case' 0 N--CA 1.474 0.756 0 O-C-N 121.263 -0.898 . . . . 0.0 111.442 170.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 43.0 t -73.38 -29.57 62.7 Favored 'General case' 0 CA--C 1.534 0.337 0 O-C-N 121.421 -0.8 . . . . 0.0 112.486 177.248 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.5 mp -67.37 -39.01 85.64 Favored 'General case' 0 CA--C 1.546 0.8 0 O-C-N 120.624 -1.298 . . . . 0.0 111.793 168.688 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 40.5 mmtm -71.24 -36.69 71.88 Favored 'General case' 0 N--CA 1.481 1.093 0 O-C-N 120.705 -1.247 . . . . 0.0 113.858 174.234 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 80.5 m-70 -126.26 -5.1 6.67 Favored 'General case' 0 N--CA 1.478 0.945 0 N-CA-C 114.99 1.478 . . . . 0.0 114.99 -161.606 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 2.0 t 54.76 16.28 1.36 Allowed 'General case' 0 CA--C 1.55 0.979 0 N-CA-C 116.409 2.003 . . . . 0.0 116.409 -171.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.0 ptpp? -131.51 156.97 44.77 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 126.993 2.117 . . . . 0.0 110.692 172.578 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 15.5 t -75.45 165.24 25.42 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-O 122.258 1.028 . . . . 0.0 111.522 174.394 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 19.1 tt -83.03 155.98 67.23 Favored Pre-proline 0 CA--C 1.549 0.922 0 C-N-CA 125.495 1.518 . . . . 0.0 113.235 -165.062 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -69.15 30.32 0.17 Allowed 'Trans proline' 0 CA--C 1.547 1.126 1 C-N-CA 125.398 4.065 . . . . 0.0 116.064 167.414 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 78.7 mtt180 . . . . . 0 C--O 1.252 1.231 0 C-N-CA 126.29 1.836 . . . . 0.0 109.489 -174.916 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.423 0 N-CA-C 111.475 -0.65 . . . . 0.0 111.475 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 91.6 p -75.9 2.13 13.3 Favored 'General case' 0 N--CA 1.481 1.117 0 N-CA-C 115.492 1.664 . . . . 0.0 115.492 -174.123 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 99.11 101.08 2.27 Favored Glycine 0 CA--C 1.531 1.043 0 C-N-CA 126.578 2.037 . . . . 0.0 111.694 -176.547 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 6.8 t -57.55 -51.45 69.43 Favored 'General case' 0 CA--C 1.543 0.71 0 O-C-N 119.14 -2.388 . . . . 0.0 108.571 -40.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 64.5 mtt -136.18 135.16 38.92 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.743 1.217 . . . . 0.0 107.845 139.412 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 25.4 ttpp -59.23 -43.14 92.34 Favored 'General case' 0 N--CA 1.479 0.988 0 CA-C-N 119.345 0.975 . . . . 0.0 113.518 -172.378 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 6.7 mp0 -65.88 -45.95 80.18 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 123.329 0.652 . . . . 0.0 111.598 177.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 81.0 t80 -60.18 -43.36 95.93 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.643 1.177 . . . . 0.0 111.969 177.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 17.3 m -59.18 -25.99 64.41 Favored 'General case' 0 CA--C 1.538 0.486 0 N-CA-C 113.81 1.041 . . . . 0.0 113.81 177.069 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -73.79 -14.33 61.09 Favored 'General case' 0 CA--C 1.547 0.849 0 N-CA-C 114.315 1.228 . . . . 0.0 114.315 176.459 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -98.06 -35.81 4.93 Favored Glycine 0 CA--C 1.537 1.406 0 C-N-CA 124.933 1.254 . . . . 0.0 113.205 169.269 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 85.6 mm-40 -72.78 -23.66 60.83 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 118.55 1.175 . . . . 0.0 113.503 176.328 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.418 ' SG ' ' HB3' ' A' ' 18' ' ' SER . 3.9 t -152.99 152.39 31.36 Favored 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 114.174 1.176 . . . . 0.0 114.174 -173.369 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 29.4 mmm180 -135.15 148.5 49.75 Favored 'General case' 0 N--CA 1.48 1.061 0 N-CA-C 114.139 1.163 . . . . 0.0 114.139 -175.437 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 90.3 145.86 14.38 Favored Glycine 0 CA--C 1.531 1.058 0 C-N-CA 125.403 1.478 . . . . 0.0 110.741 -165.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 60.2 tttm -61.66 -43.56 98.62 Favored 'General case' 0 N--CA 1.476 0.852 0 CA-C-N 118.357 1.078 . . . . 0.0 112.62 -170.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 37.9 t -77.7 -33.08 18.59 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 C-N-CA 124.733 1.213 . . . . 0.0 111.284 -176.661 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.418 ' HB3' ' SG ' ' A' ' 13' ' ' CYS . 5.2 m -64.97 -48.13 75.12 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 124.927 1.291 . . . . 0.0 111.134 171.295 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -60.15 -37.64 80.73 Favored 'General case' 0 CA--C 1.545 0.765 0 O-C-N 121.17 -0.956 . . . . 0.0 113.324 168.486 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -62.7 -35.37 79.48 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-N 119.933 1.242 . . . . 0.0 111.936 172.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 16.6 t80 -62.57 -39.91 95.17 Favored 'General case' 0 N--CA 1.471 0.603 0 O-C-N 121.348 -0.845 . . . . 0.0 112.131 170.276 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 48.8 t -68.22 -32.49 72.73 Favored 'General case' 0 CA--C 1.54 0.563 0 O-C-N 121.41 -0.806 . . . . 0.0 111.97 176.345 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.6 mp -63.85 -30.08 71.2 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.903 1.281 . . . . 0.0 113.505 170.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -80.23 -47.01 15.29 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.513 1.125 . . . . 0.0 112.595 170.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 91.8 m-70 -124.7 0.67 8.13 Favored 'General case' 0 N--CA 1.48 1.061 0 N-CA-C 116.104 1.89 . . . . 0.0 116.104 -152.726 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 81.3 m 59.48 13.37 3.23 Favored 'General case' 0 N--CA 1.479 1.009 0 N-CA-C 116.564 2.061 . . . . 0.0 116.564 -177.08 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -137.9 167.74 21.13 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 127.139 2.176 . . . . 0.0 112.03 178.542 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 6.0 t -88.04 159.16 18.38 Favored 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 113.259 0.837 . . . . 0.0 113.259 173.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 14.6 tt -83.37 131.13 53.89 Favored Pre-proline 0 CA--C 1.547 0.864 0 C-N-CA 124.779 1.232 . . . . 0.0 112.176 -168.201 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -74.49 152.5 43.59 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.845 2.363 . . . . 0.0 113.64 -178.616 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.35 0 C-N-CA 129.403 3.081 . . . . 0.0 115.707 4.148 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.228 0 N-CA-C 110.536 -1.026 . . . . 0.0 110.536 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 m -68.94 108.08 3.36 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 118.515 1.158 . . . . 0.0 112.013 -170.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 69.22 -57.16 0.61 Allowed Glycine 0 CA--C 1.536 1.406 0 C-N-CA 126.131 1.824 . . . . 0.0 114.664 -173.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -132.11 -73.15 0.52 Allowed 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 126.5 1.92 . . . . 0.0 107.062 163.043 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 56.0 mtt -147.21 141.56 26.33 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 125.029 1.332 . . . . 0.0 109.441 154.422 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -53.49 -41.93 66.76 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 125.054 1.342 . . . . 0.0 111.501 172.701 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 29.7 mp0 -64.3 -51.36 63.89 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 126.435 1.894 . . . . 0.0 112.216 -178.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 69.9 t80 -57.75 -48.4 79.75 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 125.231 1.412 . . . . 0.0 110.756 174.52 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 63.4 m -60.12 -32.52 71.07 Favored 'General case' 0 CA--C 1.534 0.353 0 N-CA-C 113.12 0.785 . . . . 0.0 113.12 177.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -81.54 -20.96 38.92 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 114.581 1.326 . . . . 0.0 114.581 174.62 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -80.16 -33.11 33.46 Favored Glycine 0 CA--C 1.535 1.31 0 C-N-CA 124.309 0.956 . . . . 0.0 113.62 171.486 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 -102.97 -11.38 18.24 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 125.109 1.364 . . . . 0.0 114.202 -174.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.2 t -148.43 151.81 35.88 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.787 1.235 . . . . 0.0 112.391 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 83.7 mtm-85 -142.17 153.46 44.07 Favored 'General case' 0 N--CA 1.48 1.069 0 N-CA-C 114.982 1.475 . . . . 0.0 114.982 -178.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 90.47 140.47 8.49 Favored Glycine 0 CA--C 1.531 1.032 0 N-CA-C 110.151 -1.18 . . . . 0.0 110.151 -160.026 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 32.5 ttmt -63.45 -37.46 87.37 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 124.47 1.108 . . . . 0.0 112.843 -168.695 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 43.2 t -79.9 -33.07 14.42 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 C-N-CA 125.448 1.499 . . . . 0.0 111.543 178.224 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.4 m -63.76 -47.29 81.61 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 124.593 1.157 . . . . 0.0 111.045 173.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -63.26 -34.85 78.57 Favored 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 113.51 0.93 . . . . 0.0 113.51 168.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -68.51 -34.85 76.61 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-N 119.726 1.148 . . . . 0.0 111.991 176.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 69.0 t80 -57.93 -39.75 78.78 Favored 'General case' 0 N--CA 1.477 0.888 0 O-C-N 120.558 -1.339 . . . . 0.0 112.546 166.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 52.6 t -67.77 -33.02 74.03 Favored 'General case' 0 CA--C 1.54 0.572 0 O-C-N 121.118 -0.989 . . . . 0.0 112.291 178.195 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.7 mp -64.52 -19.01 65.34 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 124.461 1.104 . . . . 0.0 113.83 168.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 84.7 mttt -94.91 -30.4 14.18 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.578 1.151 . . . . 0.0 113.557 173.484 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 98.0 m-70 -140.95 7.7 2.06 Favored 'General case' 0 N--CA 1.479 1.022 0 N-CA-C 116.748 2.129 . . . . 0.0 116.748 -163.434 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 8.2 t 52.5 28.72 6.23 Favored 'General case' 0 CA--C 1.555 1.154 0 N-CA-C 115.789 1.774 . . . . 0.0 115.789 175.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -144.97 160.86 40.67 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 128.373 2.669 . . . . 0.0 109.171 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 11.8 t -76.01 157.4 33.07 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 119.551 1.068 . . . . 0.0 111.234 170.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 18.7 tt -64.38 134.73 96.08 Favored Pre-proline 0 CA--C 1.544 0.721 0 C-N-CA 124.364 1.066 . . . . 0.0 112.222 -170.236 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -69.96 111.03 2.74 Favored 'Trans proline' 0 C--N 1.348 0.541 0 C-N-CA 123.129 2.553 . . . . 0.0 110.73 178.682 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 40.5 ttm180 . . . . . 0 C--O 1.247 0.938 0 C-N-CA 127.463 2.305 . . . . 0.0 109.585 -173.676 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.537 0 N-CA-C 111.476 -0.649 . . . . 0.0 111.476 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 56.0 m -78.59 47.58 0.73 Allowed 'General case' 0 N--CA 1.481 1.075 0 C-N-CA 124.806 1.242 . . . . 0.0 113.352 178.03 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 74.9 -79.61 0.98 Allowed Glycine 0 CA--C 1.528 0.899 0 C-N-CA 124.852 1.215 . . . . 0.0 112.92 -179.209 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -144.65 -93.35 0.1 Allowed 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 125.595 1.558 . . . . 0.0 109.581 170.137 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 65.8 mtt -149.3 147.69 28.65 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 125.425 1.49 . . . . 0.0 109.496 172.137 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 22.0 mtmm -60.2 -49.02 79.29 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.782 0.833 . . . . 0.0 111.236 175.306 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 54.5 mp0 -63.12 -41.18 99.29 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.075 0.95 . . . . 0.0 111.875 -176.096 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 81.1 t80 -55.42 -47.67 75.58 Favored 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 124.753 1.221 . . . . 0.0 112.129 179.077 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.7 m -86.07 -22.41 27.18 Favored 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 114.405 1.261 . . . . 0.0 114.405 -177.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.8 -26.48 68.13 Favored 'General case' 0 CA--C 1.554 1.097 0 CA-C-N 120.41 1.459 . . . . 0.0 112.062 160.458 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -80.59 7.4 58.17 Favored Glycine 0 CA--C 1.54 1.602 0 C-N-CA 126.287 1.898 . . . . 0.0 114.974 168.358 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 80.7 mm-40 -122.95 -57.65 1.7 Allowed 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.537 1.535 . . . . 0.0 111.462 174.089 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 96.2 m -150.08 165.03 33.99 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 125.393 1.477 . . . . 0.0 113.356 -169.242 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 19.8 mtp-105 -130.22 -179.65 5.37 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 125.176 1.39 . . . . 0.0 112.1 172.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 90.36 123.94 2.71 Favored Glycine 0 CA--C 1.522 0.481 0 N-CA-C 107.967 -2.053 . . . . 0.0 107.967 -161.231 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 37.1 tttp -53.95 -34.53 59.94 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 124.934 1.294 . . . . 0.0 112.505 -174.685 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 5.6 p -77.95 -29.44 15.79 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 C-N-CA 124.443 1.097 . . . . 0.0 113.311 178.629 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.6 t -71.82 -44.43 63.93 Favored 'General case' 0 N--CA 1.471 0.618 0 O-C-N 121.508 -0.745 . . . . 0.0 110.347 172.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -62.69 -39.48 94.1 Favored 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 113.159 0.8 . . . . 0.0 113.159 170.369 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -68.92 -34.83 76.03 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 119.858 1.208 . . . . 0.0 112.878 176.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 49.3 t80 -62.45 -40.39 96.47 Favored 'General case' 0 N--CA 1.471 0.587 0 O-C-N 120.997 -1.064 . . . . 0.0 111.773 169.421 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 43.9 t -60.93 -35.0 75.56 Favored 'General case' 0 N--CA 1.471 0.583 0 O-C-N 121.079 -1.013 . . . . 0.0 111.86 174.074 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 6.2 mp -69.36 -3.22 13.27 Favored 'General case' 0 CA--C 1.548 0.897 0 N-CA-C 115.024 1.49 . . . . 0.0 115.024 174.032 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 44.7 mmtm -111.04 -24.17 10.5 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 126.2 1.8 . . . . 0.0 114.133 163.398 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -135.83 -3.17 2.31 Favored 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 117.421 2.378 . . . . 0.0 117.421 -161.687 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 3.4 t 57.68 22.47 8.39 Favored 'General case' 0 CA--C 1.554 1.101 0 N-CA-C 116.103 1.89 . . . . 0.0 116.103 -177.038 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 16.8 ptpt -143.42 165.65 26.95 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 126.445 1.898 . . . . 0.0 111.172 174.302 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 31.2 m -55.64 155.17 5.9 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 122.459 0.304 . . . . 0.0 111.814 166.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 13.5 tt -61.29 137.9 94.51 Favored Pre-proline 0 N--CA 1.476 0.864 0 CA-C-O 118.098 -0.953 . . . . 0.0 109.062 166.581 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_exo -52.83 121.94 10.15 Favored 'Trans proline' 0 CA--C 1.539 0.728 0 N-CA-C 116.771 1.796 . . . . 0.0 116.771 -147.357 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 13.3 ttp180 . . . . . 0 C--O 1.252 1.204 0 C-N-CA 128.586 2.754 . . . . 0.0 109.467 -173.193 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 1.023 0 N-CA-C 110.394 -1.082 . . . . 0.0 110.394 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.9 p -131.53 166.4 21.46 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 125.391 1.477 . . . . 0.0 112.465 173.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -82.26 172.85 52.86 Favored Glycine 0 CA--C 1.529 0.935 0 C-N-CA 124.117 0.865 . . . . 0.0 114.147 -176.361 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.1 m -108.91 -90.26 0.46 Allowed 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 124.302 1.041 . . . . 0.0 112.323 179.368 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 74.6 mtm -147.87 148.39 30.79 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 125.912 1.685 . . . . 0.0 108.766 170.147 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 55.9 mtmt -61.94 -48.68 79.31 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 123.611 0.764 . . . . 0.0 111.56 -178.667 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 33.7 mp0 -62.13 -40.54 96.28 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 123.712 0.805 . . . . 0.0 111.788 -178.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 66.8 t80 -62.93 -50.46 70.74 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 123.897 0.879 . . . . 0.0 111.601 176.085 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 57.5 m -64.77 -41.03 96.17 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 123.904 0.882 . . . . 0.0 112.419 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.47 -30.41 71.54 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 118.933 0.788 . . . . 0.0 112.777 175.733 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -69.46 -23.85 76.35 Favored Glycine 0 CA--C 1.537 1.439 0 O-C-N 121.423 -0.798 . . . . 0.0 114.556 174.748 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -118.97 -1.3 11.0 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 115.74 1.756 . . . . 0.0 115.74 -177.645 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -154.93 144.17 21.11 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 119.176 0.898 . . . . 0.0 112.421 -174.522 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 20.7 mmt85 -140.54 155.39 46.63 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.703 1.201 . . . . 0.0 114.068 -172.552 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 79.51 146.35 3.75 Favored Glycine 0 CA--C 1.534 1.224 0 N-CA-C 111.346 -0.702 . . . . 0.0 111.346 -162.424 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 64.1 mttm -55.77 -41.96 74.8 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 124.397 1.079 . . . . 0.0 113.273 -171.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.3 p -79.32 -33.54 15.6 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 N-CA-C 112.766 0.654 . . . . 0.0 112.766 -173.598 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -65.91 -47.73 73.8 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 125.006 1.322 . . . . 0.0 110.131 173.622 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -61.38 -40.48 94.48 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 113.277 0.843 . . . . 0.0 113.277 170.509 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -61.57 -39.8 92.46 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 119.14 0.882 . . . . 0.0 112.541 175.633 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 33.5 t80 -59.14 -41.04 87.34 Favored 'General case' 0 CA--C 1.538 0.498 0 O-C-N 122.056 -0.402 . . . . 0.0 111.825 172.163 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 45.5 t -68.01 -27.96 67.0 Favored 'General case' 0 CA--C 1.542 0.672 0 O-C-N 120.714 -1.241 . . . . 0.0 112.033 177.704 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 7.5 mp -78.67 -4.76 50.64 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 125.522 1.529 . . . . 0.0 114.455 170.414 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 57.1 mttp -108.99 -17.85 13.82 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 125.944 1.697 . . . . 0.0 113.564 169.431 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -143.25 -4.56 0.89 Allowed 'General case' 0 N--CA 1.477 0.909 0 N-CA-C 116.881 2.178 . . . . 0.0 116.881 -163.17 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 64.8 m 60.63 16.07 6.27 Favored 'General case' 0 N--CA 1.481 1.078 0 N-CA-C 116.709 2.114 . . . . 0.0 116.709 -175.261 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 17.9 ptpt -139.57 156.93 46.59 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 126.195 1.798 . . . . 0.0 111.802 177.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.7 t -69.7 156.58 38.76 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-O 121.281 0.562 . . . . 0.0 111.7 167.298 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 20.0 tt -73.72 123.59 89.49 Favored Pre-proline 0 CA--C 1.544 0.732 0 C-N-CA 124.319 1.047 . . . . 0.0 113.011 -164.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 97.9 Cg_endo -78.14 118.71 4.43 Favored 'Trans proline' 0 C--N 1.351 0.71 0 C-N-CA 122.857 2.371 . . . . 0.0 110.986 176.469 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 87.0 mtt-85 . . . . . 0 C--O 1.258 1.502 0 C-N-CA 125.295 1.438 . . . . 0.0 111.282 171.511 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.039 0 N-CA-C 111.848 -0.501 . . . . 0.0 111.848 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.8 m -146.75 10.15 1.05 Allowed 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 127.255 2.222 . . . . 0.0 113.681 5.419 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -91.57 157.74 24.83 Favored Glycine 0 CA--C 1.529 0.968 0 C-N-CA 125.156 1.36 . . . . 0.0 113.143 177.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -87.18 -56.94 3.15 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.693 1.197 . . . . 0.0 111.278 -176.029 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 44.8 mtm -157.7 132.83 8.78 Favored 'General case' 0 C--O 1.239 0.514 0 C-N-CA 128.461 2.704 . . . . 0.0 108.162 163.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 34.0 mtmm -63.79 -44.77 92.36 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 124.639 1.176 . . . . 0.0 111.054 176.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 52.9 mp0 -65.54 -41.04 93.47 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 123.571 0.748 . . . . 0.0 112.241 -177.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 62.2 t80 -61.73 -41.24 97.38 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 126.383 1.873 . . . . 0.0 112.005 179.254 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 42.0 t -73.9 -56.66 4.68 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-O 119.321 -0.371 . . . . 0.0 111.436 174.123 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.68 -30.89 71.73 Favored 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 113.407 0.891 . . . . 0.0 113.407 -171.493 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -73.92 -19.4 79.76 Favored Glycine 0 CA--C 1.534 1.232 0 CA-C-O 119.027 -0.874 . . . . 0.0 114.803 176.538 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 86.4 mm-40 -113.52 -33.0 6.02 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 118.985 1.392 . . . . 0.0 113.411 -175.06 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 86.0 m -130.07 137.27 50.12 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 125.455 1.502 . . . . 0.0 110.963 -171.66 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 78.8 mtm-85 -133.69 168.18 19.16 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 113.69 0.996 . . . . 0.0 113.69 -168.706 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 87.09 134.59 4.14 Favored Glycine 0 CA--C 1.531 1.052 0 C-N-CA 125.082 1.325 . . . . 0.0 110.172 -161.045 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 82.8 tttt -55.34 -30.47 60.32 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 125.519 1.527 . . . . 0.0 112.555 -176.143 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.3 p -76.79 -38.48 29.73 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 N-CA-C 113.071 0.767 . . . . 0.0 113.071 179.433 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 6.3 t -69.9 -44.58 69.42 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 119.366 0.984 . . . . 0.0 109.595 174.532 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 82.5 mt-30 -63.4 -11.01 19.66 Favored 'General case' 0 CA--C 1.551 1.009 0 N-CA-C 116.663 2.098 . . . . 0.0 116.663 170.454 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -93.99 -45.51 7.56 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 125.436 1.494 . . . . 0.0 112.48 168.038 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 15.7 t80 -58.75 -39.79 81.95 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 123.323 0.649 . . . . 0.0 111.499 179.485 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 31.6 p -67.58 -28.29 67.65 Favored 'General case' 0 CA--C 1.534 0.349 0 O-C-N 121.046 -1.033 . . . . 0.0 112.183 178.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.4 mp -78.74 -5.74 54.02 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.179 0.992 . . . . 0.0 113.462 175.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 83.0 mttt -109.63 -18.93 13.36 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 127.0 2.12 . . . . 0.0 112.845 172.652 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -141.66 -5.36 1.05 Allowed 'General case' 0 N--CA 1.481 1.101 0 N-CA-C 117.971 2.582 . . . . 0.0 117.971 -164.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 7.4 t 64.51 -2.71 0.61 Allowed 'General case' 0 N--CA 1.484 1.269 0 CA-C-N 122.516 2.416 . . . . 0.0 115.753 -169.119 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 69.2 mttt -114.09 147.7 38.32 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 125.742 1.617 . . . . 0.0 111.424 -173.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 40.7 m -75.35 145.67 41.5 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-O 120.773 0.32 . . . . 0.0 110.295 164.7 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 20.1 tt -67.8 130.1 93.06 Favored Pre-proline 0 CA--C 1.549 0.929 0 N-CA-C 114.12 1.155 . . . . 0.0 114.12 -159.245 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_endo -91.47 132.36 1.4 Allowed 'Trans proline' 0 CA--C 1.542 0.905 0 C-N-CA 123.651 2.901 . . . . 0.0 111.864 171.165 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 28.3 ptt180 . . . . . 0 C--O 1.253 1.261 0 C-N-CA 126.798 2.039 . . . . 0.0 111.987 -176.967 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.39 0 CA-C-O 119.317 -0.713 . . . . 0.0 111.642 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 90.5 p -144.32 157.97 43.99 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 124.647 1.179 . . . . 0.0 112.696 170.163 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -75.84 156.52 47.8 Favored Glycine 0 CA--C 1.533 1.192 0 N-CA-C 115.692 1.037 . . . . 0.0 115.692 -169.635 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.3 m -94.45 -88.73 0.24 Allowed 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.388 1.075 . . . . 0.0 112.217 179.707 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 72.2 mtm -149.13 137.75 21.08 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.577 1.151 . . . . 0.0 110.825 174.157 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 30.3 tttp -55.84 -39.02 70.84 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 125.379 1.471 . . . . 0.0 112.506 179.466 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 32.8 mp0 -66.75 -36.92 83.58 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.697 1.199 . . . . 0.0 112.975 176.277 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 64.7 t80 -71.11 -42.54 69.14 Favored 'General case' 0 N--CA 1.47 0.545 0 O-C-N 121.323 -0.86 . . . . 0.0 110.906 174.437 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 85.7 m -63.3 -39.82 95.64 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 123.512 0.725 . . . . 0.0 112.517 177.282 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.81 -28.3 62.48 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 118.959 0.799 . . . . 0.0 112.684 170.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -65.35 -46.02 88.18 Favored Glycine 0 CA--C 1.532 1.113 0 O-C-N 121.352 -0.842 . . . . 0.0 112.877 174.541 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 30.5 mm100 -98.07 -43.48 7.02 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.795 1.238 . . . . 0.0 114.298 -173.012 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 3.4 m -100.68 154.74 18.35 Favored 'General case' 0 CA--C 1.536 0.428 0 O-C-N 121.302 -0.874 . . . . 0.0 111.48 -166.341 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -138.52 144.33 39.9 Favored 'General case' 0 N--CA 1.471 0.585 0 N-CA-C 114.097 1.147 . . . . 0.0 114.097 178.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 91.43 140.28 8.95 Favored Glycine 0 CA--C 1.53 1.013 0 C-N-CA 124.808 1.194 . . . . 0.0 110.481 -163.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -62.3 -22.11 65.78 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 124.929 1.292 . . . . 0.0 113.515 -173.685 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 21.9 t -88.8 -37.43 10.15 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 C-N-CA 124.979 1.312 . . . . 0.0 111.269 177.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.6 m -65.61 -48.18 73.13 Favored 'General case' 0 C--O 1.232 0.155 0 C-N-CA 125.448 1.499 . . . . 0.0 111.575 175.638 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 90.7 mt-30 -60.3 -28.23 67.94 Favored 'General case' 0 CA--C 1.546 0.805 0 N-CA-C 113.893 1.071 . . . . 0.0 113.893 170.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -82.8 -33.99 27.1 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.263 1.025 . . . . 0.0 113.197 175.457 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 65.7 t80 -60.52 -33.8 73.16 Favored 'General case' 0 N--CA 1.471 0.616 0 O-C-N 120.62 -1.3 . . . . 0.0 111.157 172.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 20.4 t -68.44 -26.37 65.48 Favored 'General case' 0 CA--C 1.547 0.836 0 O-C-N 121.072 -1.017 . . . . 0.0 112.809 174.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.5 mp -78.26 -9.29 59.16 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 126.313 1.845 . . . . 0.0 114.049 169.745 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 58.2 mttp -101.97 -26.35 13.44 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 125.284 1.434 . . . . 0.0 112.453 169.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -140.48 2.54 1.84 Allowed 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 117.345 2.35 . . . . 0.0 117.345 -161.442 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 26.6 m 59.38 9.42 1.44 Allowed 'General case' 0 N--CA 1.482 1.128 0 N-CA-C 116.8 2.148 . . . . 0.0 116.8 -179.565 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.0 pttt -138.03 162.57 33.78 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 126.027 1.731 . . . . 0.0 111.825 172.288 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 68.6 m -73.88 157.79 35.67 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-O 121.649 0.738 . . . . 0.0 112.46 172.058 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 14.5 tt -75.08 138.1 72.48 Favored Pre-proline 0 CA--C 1.552 1.034 0 C-N-CA 123.749 0.819 . . . . 0.0 112.774 -170.153 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo -60.22 165.43 10.8 Favored 'Trans proline' 0 C--N 1.355 0.907 0 C-N-CA 124.265 3.31 . . . . 0.0 115.066 177.172 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 6.6 ptt-85 . . . . . 0 C--O 1.25 1.1 0 C-N-CA 126.867 2.067 . . . . 0.0 113.057 -175.019 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.101 0 N-CA-C 110.218 -1.153 . . . . 0.0 110.218 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.5 p -78.54 -14.8 59.16 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 114.328 1.233 . . . . 0.0 114.328 -178.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 56.52 -124.63 35.63 Favored Glycine 0 CA--C 1.529 0.915 0 C-N-CA 124.272 0.939 . . . . 0.0 112.191 -179.706 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.8 t -66.33 -76.32 0.08 Allowed 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 123.203 0.601 . . . . 0.0 110.746 166.252 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 83.0 mtp -157.38 144.43 18.39 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 127.517 2.327 . . . . 0.0 107.225 158.247 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 85.5 mttt -59.33 -45.22 91.95 Favored 'General case' 0 N--CA 1.48 1.049 0 CA-C-N 119.736 1.153 . . . . 0.0 112.692 -178.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 6.8 mp0 -66.93 -37.29 84.06 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.418 1.087 . . . . 0.0 113.256 179.072 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 84.1 t80 -65.33 -47.85 75.08 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.784 0.834 . . . . 0.0 110.768 177.067 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 92.7 m -65.65 -38.81 90.38 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-O 118.852 -0.594 . . . . 0.0 112.093 177.587 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.32 -33.64 76.18 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 119.157 0.889 . . . . 0.0 113.205 173.648 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -75.32 -47.55 12.59 Favored Glycine 0 CA--C 1.532 1.111 0 C-N-CA 124.689 1.138 . . . . 0.0 113.427 177.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 50.7 mm-40 -81.76 -41.88 20.57 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 118.477 1.139 . . . . 0.0 113.196 -177.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 10.7 m -110.59 167.64 10.07 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.689 1.196 . . . . 0.0 112.642 -169.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 81.3 mmt-85 -134.43 -168.48 2.15 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 124.932 1.293 . . . . 0.0 114.039 -175.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 67.8 6.18 42.6 Favored Glycine 0 CA--C 1.534 1.251 0 C-N-CA 126.159 1.837 . . . . 0.0 117.408 164.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 49.2 tttm 59.39 -30.05 0.04 OUTLIER 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 131.395 3.878 . . . . 0.0 114.639 -168.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 94.8 t -77.1 -42.71 31.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 C-N-CA 127.551 2.34 . . . . 0.0 113.018 175.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 16.2 t -71.1 -36.17 72.08 Favored 'General case' 0 N--CA 1.474 0.73 0 O-C-N 120.896 -1.127 . . . . 0.0 110.994 175.09 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 57.3 mt-30 -57.86 -41.93 83.46 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 123.856 0.862 . . . . 0.0 112.658 165.526 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -67.82 -42.11 82.03 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.37 1.068 . . . . 0.0 111.869 177.632 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 10.2 t80 -61.94 -38.34 88.07 Favored 'General case' 0 CA--C 1.535 0.393 0 N-CA-C 112.28 0.474 . . . . 0.0 112.28 171.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 41.4 t -66.21 -30.08 70.46 Favored 'General case' 0 CA--C 1.54 0.595 0 O-C-N 120.998 -1.064 . . . . 0.0 111.918 175.497 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.1 mp -73.84 -9.54 58.75 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 126.023 1.729 . . . . 0.0 114.539 170.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 59.3 mttp -107.39 -22.33 12.61 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 126.428 1.891 . . . . 0.0 113.708 172.589 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -142.92 -1.34 1.1 Allowed 'General case' 0 N--CA 1.479 1.019 0 N-CA-C 117.399 2.37 . . . . 0.0 117.399 -163.172 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.6 m 58.21 13.27 2.24 Favored 'General case' 0 N--CA 1.485 1.3 0 N-CA-C 116.6 2.074 . . . . 0.0 116.6 -171.721 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.3 ptpt -133.86 153.54 51.67 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 125.169 1.388 . . . . 0.0 112.088 178.544 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 59.7 m -70.69 150.99 45.4 Favored 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 169.748 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 18.4 tt -68.01 137.29 92.09 Favored Pre-proline 0 CA--C 1.551 1.009 0 N-CA-C 113.224 0.824 . . . . 0.0 113.224 -163.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -61.62 155.72 51.8 Favored 'Trans proline' 0 C--N 1.35 0.639 0 C-N-CA 123.433 2.756 . . . . 0.0 113.336 171.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 25.0 ptt180 . . . . . 0 C--O 1.247 0.972 0 C-N-CA 126.019 1.728 . . . . 0.0 112.66 175.485 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.073 0 N-CA-C 111.356 -0.698 . . . . 0.0 111.356 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.6 m -69.33 123.78 22.11 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 117.441 0.62 . . . . 0.0 110.595 173.268 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 62.18 -163.1 26.68 Favored Glycine 0 CA--C 1.535 1.321 0 C-N-CA 124.742 1.163 . . . . 0.0 115.876 -178.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.8 t -63.55 -51.77 63.99 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 124.938 1.295 . . . . 0.0 113.058 -174.557 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -170.92 138.7 1.35 Allowed 'General case' 0 N--CA 1.465 0.325 0 C-N-CA 128.306 2.643 . . . . 0.0 108.553 155.227 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 50.6 mtmt -66.23 -41.99 89.28 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-N 118.356 0.526 . . . . 0.0 111.457 179.53 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 21.7 mp0 -62.95 -38.59 91.68 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 124.724 1.209 . . . . 0.0 112.34 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 23.4 t80 -65.92 -51.21 60.56 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 124.478 1.111 . . . . 0.0 110.933 175.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 90.4 m -60.04 -44.96 94.31 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 123.052 0.541 . . . . 0.0 112.376 178.151 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -74.5 -23.5 58.85 Favored 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 113.763 1.023 . . . . 0.0 113.763 178.595 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -68.81 -49.36 43.0 Favored Glycine 0 CA--C 1.529 0.922 0 O-C-N 121.19 -0.944 . . . . 0.0 111.749 169.757 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -72.64 -49.06 34.39 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.09 0.956 . . . . 0.0 113.323 -177.49 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 74.2 m -141.78 157.48 44.97 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 113.999 1.111 . . . . 0.0 113.999 -163.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 84.2 mtm-85 -141.17 177.56 7.99 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 124.055 0.942 . . . . 0.0 112.441 174.694 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 93.98 123.62 3.75 Favored Glycine 0 CA--C 1.526 0.779 0 N-CA-C 107.478 -2.249 . . . . 0.0 107.478 -151.334 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -51.91 -38.16 55.23 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 123.942 0.897 . . . . 0.0 111.738 -176.696 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 46.2 t -84.36 -30.15 7.23 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 C-N-CA 124.406 1.082 . . . . 0.0 112.261 -175.409 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.5 t -63.12 -45.33 92.47 Favored 'General case' 0 N--CA 1.472 0.66 0 O-C-N 121.101 -0.999 . . . . 0.0 111.21 168.72 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 80.8 mt-30 -61.83 -35.35 77.99 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 113.257 0.836 . . . . 0.0 113.257 169.68 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -68.7 -42.77 77.28 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-N 120.047 1.294 . . . . 0.0 112.754 179.063 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -61.62 -36.15 79.92 Favored 'General case' 0 N--CA 1.468 0.469 0 O-C-N 121.675 -0.641 . . . . 0.0 111.321 172.676 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 44.0 t -71.24 -32.64 68.99 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 123.329 0.652 . . . . 0.0 112.198 177.267 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.6 mp -67.71 -25.15 65.52 Favored 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 113.363 0.875 . . . . 0.0 113.363 169.325 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 54.7 mttp -92.13 -32.82 14.99 Favored 'General case' 0 N--CA 1.48 1.029 0 N-CA-C 114.535 1.309 . . . . 0.0 114.535 177.31 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -131.35 2.58 4.22 Favored 'General case' 0 N--CA 1.478 0.953 0 N-CA-C 114.778 1.399 . . . . 0.0 114.778 -165.252 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 4.0 t 62.04 6.8 1.87 Allowed 'General case' 0 CA--C 1.552 1.031 0 C-N-CA 126.406 1.883 . . . . 0.0 115.008 -171.655 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 32.8 mttp -124.45 143.03 50.86 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 126.32 1.848 . . . . 0.0 110.759 -174.196 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 54.5 m -67.84 152.11 46.1 Favored 'General case' 0 C--N 1.322 -0.625 0 C-N-CA 123.182 0.593 . . . . 0.0 110.112 171.573 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 15.8 tt -67.95 131.1 92.49 Favored Pre-proline 0 CA--C 1.542 0.667 0 CA-C-O 118.966 -0.54 . . . . 0.0 111.348 -170.746 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_endo -74.27 135.14 20.12 Favored 'Trans proline' 0 CA--C 1.535 0.559 0 C-N-CA 122.332 2.021 . . . . 0.0 109.963 172.689 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? . . . . . 0 C--O 1.251 1.138 0 C-N-CA 126.183 1.793 . . . . 0.0 111.638 179.693 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.841 0 N-CA-C 110.385 -1.086 . . . . 0.0 110.385 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.7 p -79.88 -32.95 40.36 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 123.745 0.818 . . . . 0.0 112.965 -178.357 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 87.52 128.66 2.75 Favored Glycine 0 CA--C 1.536 1.352 0 C-N-CA 125.861 1.696 . . . . 0.0 112.914 -176.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 7.8 t -58.9 -56.89 16.45 Favored 'General case' 0 CA--C 1.537 0.449 0 O-C-N 118.411 -2.817 . . . . 0.0 107.358 -47.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 91.5 mmm -122.15 140.01 53.06 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.863 0.865 . . . . 0.0 108.955 134.32 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.85 -42.63 99.82 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 125.352 1.461 . . . . 0.0 112.648 -168.283 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 11.4 mp0 -72.54 -35.61 68.09 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.057 0.943 . . . . 0.0 111.3 -177.715 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 46.5 t80 -63.26 -44.28 95.58 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 123.756 0.822 . . . . 0.0 111.459 170.682 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 23.0 m -62.16 -32.44 73.06 Favored 'General case' 0 CA--C 1.539 0.52 0 N-CA-C 113.295 0.85 . . . . 0.0 113.295 177.016 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -73.41 -23.92 60.21 Favored 'General case' 0 CA--C 1.548 0.884 0 N-CA-C 113.939 1.088 . . . . 0.0 113.939 172.237 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -78.56 -28.54 55.03 Favored Glycine 0 CA--C 1.536 1.401 0 C-N-CA 124.266 0.936 . . . . 0.0 113.511 169.619 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 74.3 mm-40 -88.73 -28.25 20.65 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 125.052 1.341 . . . . 0.0 114.401 179.242 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -153.36 148.42 26.71 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 123.359 0.664 . . . . 0.0 112.51 -163.345 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 11.2 ptp180 -147.54 160.47 42.58 Favored 'General case' 0 N--CA 1.478 0.967 0 N-CA-C 114.553 1.316 . . . . 0.0 114.553 177.531 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 84.87 135.96 3.41 Favored Glycine 0 CA--C 1.535 1.328 0 N-CA-C 109.883 -1.287 . . . . 0.0 109.883 -146.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 37.4 ttpt -66.75 -29.82 69.88 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 124.136 0.975 . . . . 0.0 113.223 -173.457 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 26.1 t -75.57 -37.14 36.38 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.942 0 C-N-CA 124.926 1.291 . . . . 0.0 111.15 175.015 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -64.26 -48.26 76.43 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 125.249 1.42 . . . . 0.0 110.932 174.111 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 83.5 mt-30 -64.29 -39.31 93.67 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-O 118.68 -0.676 . . . . 0.0 112.507 171.568 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -59.16 -40.65 86.23 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 119.832 1.196 . . . . 0.0 112.23 174.438 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 40.1 t80 -60.98 -42.77 99.0 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 118.034 0.379 . . . . 0.0 111.86 171.182 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 42.5 t -67.31 -34.36 77.2 Favored 'General case' 0 CA--C 1.537 0.476 0 O-C-N 120.649 -1.282 . . . . 0.0 112.065 178.143 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 7.4 mp -68.23 -15.02 63.41 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 125.017 1.327 . . . . 0.0 113.576 172.012 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 77.0 mttt -98.86 -32.46 11.33 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 125.957 1.703 . . . . 0.0 112.701 174.027 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -132.46 -1.38 3.52 Favored 'General case' 0 N--CA 1.477 0.911 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -160.143 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 69.1 m 61.54 14.87 6.26 Favored 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 116.606 2.076 . . . . 0.0 116.606 -179.358 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 63.9 pttt -141.93 161.8 37.07 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 124.953 1.301 . . . . 0.0 111.788 170.223 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.2 t -68.36 153.61 43.41 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-O 121.985 0.898 . . . . 0.0 111.74 170.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 20.8 tt -64.67 134.4 96.01 Favored Pre-proline 0 CA--C 1.551 1.013 0 C-N-CA 125.333 1.453 . . . . 0.0 112.895 -165.699 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -64.82 130.57 26.5 Favored 'Trans proline' 0 C--N 1.353 0.786 0 C-N-CA 123.229 2.619 . . . . 0.0 113.617 178.529 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 8.9 ptm180 . . . . . 0 C--O 1.253 1.287 0 C-N-CA 127.569 2.348 . . . . 0.0 112.583 -173.569 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.181 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 56.6 p -111.05 156.59 21.07 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.241 1.017 . . . . 0.0 113.314 178.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -79.76 157.78 42.13 Favored Glycine 0 N--CA 1.464 0.551 0 C-N-CA 124.83 1.205 . . . . 0.0 114.298 -176.612 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.3 m -91.23 -92.7 0.14 Allowed 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 125.166 1.386 . . . . 0.0 110.673 177.468 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 72.2 mtm -143.95 140.16 29.51 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.251 1.02 . . . . 0.0 110.542 173.014 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 42.5 mtmt -54.21 -43.04 70.43 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 126.298 1.839 . . . . 0.0 111.542 174.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -59.63 -44.89 93.32 Favored 'General case' 0 N--CA 1.473 0.702 0 N-CA-C 113.477 0.917 . . . . 0.0 113.477 178.595 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 79.6 t80 -67.94 -47.1 69.62 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 123.82 0.848 . . . . 0.0 110.603 175.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 99.3 m -64.32 -33.67 76.38 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 113.784 1.031 . . . . 0.0 113.784 -178.623 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -80.41 -14.31 58.42 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 114.156 1.169 . . . . 0.0 114.156 178.608 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -86.31 -48.09 4.69 Favored Glycine 0 CA--C 1.534 1.242 0 C-N-CA 124.406 1.003 . . . . 0.0 112.048 166.546 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 75.8 mm-40 -72.85 -26.06 61.33 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 114.213 1.19 . . . . 0.0 114.213 -178.302 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -145.18 145.93 31.55 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 123.731 0.813 . . . . 0.0 112.573 -172.746 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 31.2 mmm180 -135.5 144.78 46.54 Favored 'General case' 0 N--CA 1.481 1.101 0 N-CA-C 113.979 1.103 . . . . 0.0 113.979 -168.687 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 88.54 147.69 14.98 Favored Glycine 0 CA--C 1.531 1.06 0 C-N-CA 124.395 0.998 . . . . 0.0 111.255 -164.295 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 55.0 tttm -59.74 -40.8 89.3 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.141 0.976 . . . . 0.0 112.486 -167.257 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 11.5 p -74.52 -33.39 32.55 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 C-N-CA 124.985 1.314 . . . . 0.0 113.128 -178.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -72.71 -47.27 48.55 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 126.095 1.758 . . . . 0.0 109.763 -178.454 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 92.6 mt-30 -55.97 -41.48 74.82 Favored 'General case' 0 CA--C 1.545 0.784 0 N-CA-C 112.508 0.559 . . . . 0.0 112.508 165.188 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -66.49 -33.13 74.99 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 124.205 1.002 . . . . 0.0 113.102 179.754 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 26.1 t80 -59.95 -46.15 90.34 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 123.551 0.741 . . . . 0.0 112.156 169.436 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 53.6 t -65.45 -28.55 69.3 Favored 'General case' 0 CA--C 1.541 0.626 0 O-C-N 121.318 -0.864 . . . . 0.0 112.094 178.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.3 mp -73.06 2.37 7.19 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 125.78 1.632 . . . . 0.0 114.786 169.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 79.2 mttt -125.84 -13.84 6.29 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 125.049 1.339 . . . . 0.0 114.238 168.187 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 90.1 m-70 -137.26 -2.73 2.0 Favored 'General case' 0 N--CA 1.477 0.915 0 N-CA-C 115.622 1.712 . . . . 0.0 115.622 -168.532 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 3.4 t 59.4 6.43 0.77 Allowed 'General case' 0 CA--C 1.551 0.99 0 N-CA-C 116.061 1.874 . . . . 0.0 116.061 -174.01 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.9 ptmm? -130.71 166.0 21.69 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 126.374 1.87 . . . . 0.0 112.148 -178.684 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 6.8 t -72.53 161.46 30.77 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-O 121.293 0.568 . . . . 0.0 112.494 172.209 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 20.8 tt -69.04 149.26 97.83 Favored Pre-proline 0 CA--C 1.552 1.02 0 C-N-CA 127.02 2.128 . . . . 0.0 112.775 -171.318 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 94.2 Cg_exo -56.86 124.65 16.76 Favored 'Trans proline' 0 C--N 1.359 1.086 0 C-N-CA 123.527 2.818 . . . . 0.0 116.052 -165.225 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 18.8 ptt180 . . . . . 0 C--O 1.253 1.279 0 C-N-CA 126.25 1.82 . . . . 0.0 112.992 174.918 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.838 0 N-CA-C 110.861 -0.895 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.9 m -70.42 110.63 5.44 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 124.31 1.044 . . . . 0.0 111.639 -177.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 69.85 -76.68 0.42 Allowed Glycine 0 N--CA 1.468 0.796 0 C-N-CA 124.049 0.833 . . . . 0.0 111.088 -169.6 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.2 t -124.31 -69.9 0.78 Allowed 'General case' 0 CA--C 1.538 0.488 0 N-CA-C 107.679 -1.23 . . . . 0.0 107.679 159.126 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 58.4 mtt -144.73 148.95 34.76 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 125.122 1.369 . . . . 0.0 107.784 147.484 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 39.5 ttpt -60.97 -43.68 98.44 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 119.199 0.909 . . . . 0.0 111.338 174.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 61.2 mp0 -62.85 -41.75 99.48 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 124.344 1.058 . . . . 0.0 112.496 178.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 65.6 t80 -60.82 -51.77 67.9 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 124.417 1.087 . . . . 0.0 110.752 174.562 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 62.7 m -65.77 -36.66 84.18 Favored 'General case' 0 CA--C 1.537 0.46 0 N-CA-C 113.585 0.957 . . . . 0.0 113.585 179.756 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.12 -36.9 80.49 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 123.713 0.805 . . . . 0.0 112.768 176.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -70.46 -51.79 19.69 Favored Glycine 0 CA--C 1.533 1.206 0 C-N-CA 123.689 0.662 . . . . 0.0 112.789 173.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 35.4 mm-40 -67.53 -39.82 85.04 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 123.987 0.915 . . . . 0.0 112.739 -176.219 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 5.6 m -127.72 153.58 46.35 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.617 1.167 . . . . 0.0 111.894 -168.52 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 15.8 ptp180 -153.34 159.25 42.44 Favored 'General case' 0 N--CA 1.479 0.987 0 N-CA-C 115.591 1.7 . . . . 0.0 115.591 178.799 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 85.74 135.24 3.65 Favored Glycine 0 CA--C 1.533 1.204 0 N-CA-C 109.035 -1.626 . . . . 0.0 109.035 -146.441 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -62.03 -37.62 85.6 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 117.866 0.833 . . . . 0.0 112.516 -171.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 48.9 t -72.27 -32.78 44.03 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 C-N-CA 124.053 0.941 . . . . 0.0 111.488 178.585 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.3 m -65.15 -42.78 93.48 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 124.595 1.158 . . . . 0.0 111.721 173.711 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 84.3 mt-30 -67.93 -41.53 82.41 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 113.072 0.767 . . . . 0.0 113.072 171.002 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -65.67 -31.23 72.13 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.643 1.177 . . . . 0.0 113.45 178.339 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 54.3 t80 -65.65 -41.64 92.34 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.686 0.795 . . . . 0.0 112.381 166.396 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 52.9 t -66.46 -30.09 70.36 Favored 'General case' 0 CA--C 1.537 0.473 0 O-C-N 121.23 -0.919 . . . . 0.0 111.244 178.385 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.3 mp -65.66 -12.28 52.15 Favored 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 114.476 1.287 . . . . 0.0 114.476 169.471 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -102.54 -28.57 12.09 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 124.833 1.253 . . . . 0.0 113.281 168.426 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 83.7 m-70 -126.71 -6.49 6.26 Favored 'General case' 0 N--CA 1.477 0.878 0 N-CA-C 116.591 2.071 . . . . 0.0 116.591 -161.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 4.5 t 56.48 11.92 0.95 Allowed 'General case' 0 CA--C 1.553 1.079 0 N-CA-C 115.189 1.551 . . . . 0.0 115.189 -169.43 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 32.7 mttp -131.79 158.19 41.89 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 126.301 1.84 . . . . 0.0 109.882 -175.402 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 48.1 m -73.43 157.62 36.53 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-O 121.64 0.733 . . . . 0.0 112.112 171.519 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 19.7 tt -72.7 136.82 80.27 Favored Pre-proline 0 CA--C 1.543 0.678 0 C-N-CA 123.688 0.795 . . . . 0.0 112.879 -170.279 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 22.3 Cg_exo -70.72 109.41 2.49 Favored 'Trans proline' 0 CA--C 1.54 0.779 0 C-N-CA 123.481 2.787 . . . . 0.0 109.532 160.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 50.2 ptt85 . . . . . 0 C--O 1.254 1.302 0 C-N-CA 126.091 1.756 . . . . 0.0 113.436 -179.965 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.845 0 N-CA-C 110.799 -0.92 . . . . 0.0 110.799 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.9 m -77.96 29.37 0.17 Allowed 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 125.488 1.515 . . . . 0.0 115.004 -172.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 78.11 -168.61 54.12 Favored Glycine 0 CA--C 1.53 1.002 0 C-N-CA 126.086 1.803 . . . . 0.0 114.487 -174.014 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.2 m -135.52 -83.35 0.4 Allowed 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 125.892 1.677 . . . . 0.0 110.204 -176.163 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 85.7 mtp -148.23 134.98 19.95 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 126.092 1.757 . . . . 0.0 109.517 165.616 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 11.6 ptpt -68.38 -27.25 66.07 Favored 'General case' 0 N--CA 1.475 0.782 0 N-CA-C 113.909 1.077 . . . . 0.0 113.909 178.113 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 26.6 mp0 -64.03 -43.52 95.32 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 124.797 1.239 . . . . 0.0 111.963 170.328 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 18.8 t80 -70.2 -43.36 70.87 Favored 'General case' 0 N--CA 1.468 0.435 0 O-C-N 121.523 -0.736 . . . . 0.0 111.158 176.752 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 47.8 m -61.51 -36.72 81.32 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-O 118.357 -0.83 . . . . 0.0 112.984 174.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.21 -24.82 65.88 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 119.368 0.986 . . . . 0.0 113.099 172.455 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -74.73 -22.83 76.48 Favored Glycine 0 CA--C 1.534 1.28 0 C-N-CA 124.426 1.012 . . . . 0.0 114.182 170.572 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -99.95 -27.26 13.68 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 125.084 1.354 . . . . 0.0 114.03 179.015 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -158.13 145.38 18.04 Favored 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 113.042 0.756 . . . . 0.0 113.042 -158.084 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 9.5 ptp180 -146.96 162.6 38.41 Favored 'General case' 0 N--CA 1.476 0.827 0 N-CA-C 114.115 1.154 . . . . 0.0 114.115 174.684 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 90.93 144.87 13.05 Favored Glycine 0 CA--C 1.534 1.228 0 N-CA-C 110.472 -1.051 . . . . 0.0 110.472 -155.401 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 36.5 ttpt -56.23 -49.39 74.26 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 125.249 1.419 . . . . 0.0 112.117 -172.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 23.9 t -77.29 -33.47 19.97 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 C-N-CA 125.414 1.486 . . . . 0.0 111.291 -174.069 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.1 m -62.45 -49.41 75.55 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 125.347 1.459 . . . . 0.0 111.436 172.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -67.36 -37.38 83.12 Favored 'General case' 0 N--CA 1.468 0.449 0 N-CA-C 113.177 0.806 . . . . 0.0 113.177 172.763 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -59.79 -40.84 89.65 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 123.683 0.793 . . . . 0.0 112.022 174.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 34.1 t80 -60.8 -38.76 86.46 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 123.166 0.586 . . . . 0.0 112.193 170.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 35.0 t -70.11 -30.61 67.85 Favored 'General case' 0 CA--C 1.537 0.48 0 O-C-N 120.378 -1.451 . . . . 0.0 112.191 177.098 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 7.2 mp -76.3 1.0 17.32 Favored 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 114.405 1.261 . . . . 0.0 114.405 169.51 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 70.2 mttt -110.24 -21.07 12.42 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 126.148 1.779 . . . . 0.0 113.588 169.313 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 -144.45 -1.94 0.89 Allowed 'General case' 0 N--CA 1.48 1.059 0 N-CA-C 116.369 1.989 . . . . 0.0 116.369 -163.816 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 34.7 m 61.02 19.9 10.35 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 126.998 2.119 . . . . 0.0 116.395 -177.592 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 16.4 ptpt -150.79 162.61 40.41 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 126.789 2.036 . . . . 0.0 112.752 -177.533 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.7 t -75.0 155.43 37.34 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-O 122.403 1.097 . . . . 0.0 112.784 178.559 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 20.5 tt -68.79 133.78 90.33 Favored Pre-proline 0 CA--C 1.547 0.854 0 C-N-CA 125.322 1.449 . . . . 0.0 113.137 -168.327 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 78.6 Cg_endo -79.61 74.82 5.37 Favored 'Trans proline' 0 CA--C 1.54 0.796 0 C-N-CA 123.558 2.838 . . . . 0.0 110.314 177.225 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 8.2 ptm180 . . . . . 0 C--O 1.255 1.361 0 C-N-CA 126.513 1.925 . . . . 0.0 113.406 164.583 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.938 0 N-CA-C 109.711 -1.356 . . . . 0.0 109.711 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 99.0 p -110.1 -18.46 13.33 Favored 'General case' 0 N--CA 1.477 0.922 0 N-CA-C 114.423 1.268 . . . . 0.0 114.423 -179.085 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -163.84 160.99 33.88 Favored Glycine 0 CA--C 1.529 0.956 0 C-N-CA 124.69 1.138 . . . . 0.0 111.966 178.083 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 7.4 t -110.35 -83.28 0.57 Allowed 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 166.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 67.7 mtm -138.58 126.53 22.49 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 125.156 1.382 . . . . 0.0 108.712 164.235 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 25.2 ttpt -68.06 -26.58 65.93 Favored 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 114.359 1.244 . . . . 0.0 114.359 -165.414 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -81.77 -29.3 32.84 Favored 'General case' 0 N--CA 1.476 0.851 0 CA-C-N 119.282 0.946 . . . . 0.0 113.46 172.292 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 68.6 t80 -66.78 -41.69 87.25 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 124.083 0.953 . . . . 0.0 111.386 -179.185 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 96.3 m -72.52 -44.67 61.86 Favored 'General case' 0 CA--C 1.541 0.623 0 O-C-N 121.573 -0.704 . . . . 0.0 112.434 174.57 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.95 -29.33 69.72 Favored 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 114.068 1.136 . . . . 0.0 114.068 -178.71 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -77.84 -46.16 9.85 Favored Glycine 0 CA--C 1.528 0.898 0 C-N-CA 123.873 0.749 . . . . 0.0 113.448 176.121 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -70.99 -49.92 39.94 Favored 'General case' 0 CA--C 1.537 0.46 0 N-CA-C 113.506 0.928 . . . . 0.0 113.506 -175.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 74.6 m -130.72 157.89 41.58 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 124.698 1.199 . . . . 0.0 111.698 -164.36 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 69.4 mtt180 -144.69 166.94 23.77 Favored 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 113.775 1.028 . . . . 0.0 113.775 -175.768 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 90.4 128.09 3.68 Favored Glycine 0 CA--C 1.531 1.055 0 N-CA-C 107.763 -2.135 . . . . 0.0 107.763 -147.768 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 67.5 tttt -68.99 -23.03 64.06 Favored 'General case' 0 N--CA 1.472 0.645 0 O-C-N 121.953 -0.733 . . . . 0.0 112.329 -171.489 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 10.9 t -89.1 -28.31 5.23 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 C-N-CA 126.037 1.735 . . . . 0.0 111.383 174.442 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 16.1 t -61.14 -49.13 78.49 Favored 'General case' 0 N--CA 1.48 1.04 0 CA-C-N 119.653 1.115 . . . . 0.0 110.561 165.698 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 82.3 mt-30 -59.57 -42.38 92.32 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 123.392 0.677 . . . . 0.0 112.771 171.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -62.58 -39.84 95.0 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 113.549 0.944 . . . . 0.0 113.549 174.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 55.8 t80 -66.71 -36.66 83.0 Favored 'General case' 0 CA--C 1.536 0.438 0 O-C-N 121.337 -0.852 . . . . 0.0 111.147 176.46 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 43.7 t -69.73 -32.22 70.65 Favored 'General case' 0 CA--C 1.535 0.39 0 N-CA-C 112.604 0.594 . . . . 0.0 112.604 172.599 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.9 mp -62.34 -48.24 80.7 Favored 'General case' 0 CA--C 1.543 0.696 0 O-C-N 120.707 -1.246 . . . . 0.0 111.081 167.035 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 60.2 mttp -68.67 -31.78 71.14 Favored 'General case' 0 N--CA 1.476 0.868 0 N-CA-C 114.939 1.459 . . . . 0.0 114.939 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 94.3 m-70 -133.93 3.62 3.48 Favored 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 115.569 1.692 . . . . 0.0 115.569 -166.551 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . 0.254 1.8 t 54.94 11.25 0.46 Allowed 'General case' 0 N--CA 1.481 1.112 0 N-CA-C 116.683 2.105 . . . . 0.0 116.683 -177.23 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 9.4 ptpp? -132.5 151.32 51.95 Favored 'General case' 0 N--CA 1.466 0.327 0 C-N-CA 127.854 2.462 . . . . 0.0 109.212 174.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 70.0 m -75.82 159.49 30.95 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-O 121.16 0.505 . . . . 0.0 112.271 -177.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 15.9 tt -58.47 143.32 80.98 Favored Pre-proline 0 CA--C 1.551 0.992 0 C-N-CA 124.97 1.308 . . . . 0.0 112.452 -171.635 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_exo -57.54 149.43 66.86 Favored 'Trans proline' 0 C--N 1.357 0.99 0 C-N-CA 123.256 2.637 . . . . 0.0 116.63 -157.441 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 29.0 ptt180 . . . . . 0 C--O 1.258 1.505 0 C-N-CA 127.005 2.122 . . . . 0.0 114.051 -179.536 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.235 0 N-CA-C 110.393 -1.083 . . . . 0.0 110.393 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.5 m 52.65 38.75 26.86 Favored 'General case' 0 N--CA 1.48 1.046 0 CA-C-N 118.361 1.08 . . . . 0.0 113.529 176.534 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 109.47 -175.18 18.7 Favored Glycine 0 CA--C 1.531 1.08 0 C-N-CA 126.859 2.171 . . . . 0.0 112.782 -164.751 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 6.0 t -72.95 -78.11 0.09 Allowed 'General case' 0 CA--C 1.541 0.614 0 O-C-N 121.857 -0.79 . . . . 0.0 111.661 -174.023 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 71.3 mtp -151.8 129.41 11.49 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 127.238 2.215 . . . . 0.0 107.209 163.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 30.6 mtmm -68.0 -39.39 83.24 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 124.695 1.198 . . . . 0.0 112.698 -174.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -67.89 -45.77 73.51 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 123.676 0.79 . . . . 0.0 111.302 177.716 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 81.2 t80 -56.15 -53.55 55.71 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.556 1.142 . . . . 0.0 111.365 172.426 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 23.3 m -61.38 -32.07 71.98 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-O 118.111 -0.947 . . . . 0.0 113.088 -179.138 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.16 -31.35 69.95 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-N 120.026 1.285 . . . . 0.0 113.042 174.671 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -81.22 -25.49 54.86 Favored Glycine 0 CA--C 1.532 1.118 0 O-C-N 121.57 -0.706 . . . . 0.0 114.339 175.104 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 97.3 mm-40 -81.82 -48.01 12.12 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 117.817 0.809 . . . . 0.0 111.465 172.678 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 20.4 m -131.6 144.71 51.26 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 125.397 1.479 . . . . 0.0 111.746 -158.336 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 27.5 mmm180 -135.07 153.59 51.99 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 113.044 0.757 . . . . 0.0 113.044 -170.102 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 74.75 149.84 2.03 Favored Glycine 0 CA--C 1.532 1.118 0 CA-C-N 115.525 -0.761 . . . . 0.0 111.33 -162.529 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 53.7 tptt -55.42 -39.35 70.14 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 125.522 1.529 . . . . 0.0 112.473 -176.215 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 5.3 p -78.73 -34.29 17.32 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 N-CA-C 113.495 0.924 . . . . 0.0 113.495 -174.069 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.4 t -72.63 -42.26 64.62 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 118.372 0.533 . . . . 0.0 111.119 172.532 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -59.27 -42.2 90.68 Favored 'General case' 0 CA--C 1.546 0.816 0 N-CA-C 113.099 0.777 . . . . 0.0 113.099 168.355 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -62.99 -39.8 95.82 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.595 1.158 . . . . 0.0 112.334 175.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 17.8 t80 -62.44 -44.01 97.45 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 122.779 0.431 . . . . 0.0 112.056 171.226 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 36.6 t -64.73 -24.67 67.64 Favored 'General case' 0 N--CA 1.471 0.593 0 O-C-N 121.315 -0.865 . . . . 0.0 112.243 177.652 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.0 mp -81.17 -2.04 46.98 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 125.573 1.549 . . . . 0.0 114.754 172.621 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 51.0 mtmt -122.36 -19.48 6.43 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 125.434 1.493 . . . . 0.0 114.06 172.761 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 79.7 m-70 -137.69 1.87 2.37 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 125.33 1.452 . . . . 0.0 114.207 -169.393 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 4.2 t 45.55 35.57 2.11 Favored 'General case' 0 CA--C 1.548 0.901 0 N-CA-C 116.204 1.928 . . . . 0.0 116.204 -177.5 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 6.5 ptpp? -151.71 165.3 34.83 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 126.638 1.975 . . . . 0.0 110.477 173.331 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 29.7 m -76.33 148.18 37.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 117.603 0.183 . . . . 0.0 111.462 176.3 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 18.7 tt -59.31 138.6 88.65 Favored Pre-proline 0 CA--C 1.546 0.806 0 C-N-CA 124.137 0.975 . . . . 0.0 113.174 -169.574 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_exo -62.26 155.33 57.48 Favored 'Trans proline' 0 CA--C 1.536 0.608 0 C-N-CA 123.15 2.567 . . . . 0.0 115.144 178.647 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 13.8 ptm180 . . . . . 0 C--O 1.254 1.304 0 C-N-CA 126.258 1.823 . . . . 0.0 113.19 172.363 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.913 0 N-CA-C 110.215 -1.154 . . . . 0.0 110.215 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 77.2 p 54.96 111.75 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 127.265 2.226 . . . . 0.0 114.93 -170.756 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 71.45 -78.17 0.59 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 120.93 -1.106 . . . . 0.0 112.983 -177.666 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.2 m -126.98 -80.65 0.6 Allowed 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.644 1.577 . . . . 0.0 110.12 167.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 98.1 mtp -148.5 137.31 21.58 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 119.337 0.971 . . . . 0.0 110.942 173.107 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 45.2 mtmt -56.98 -45.34 82.98 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 125.206 1.402 . . . . 0.0 111.866 178.785 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 26.9 mp0 -69.45 -42.65 74.65 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 124.259 1.024 . . . . 0.0 111.288 -175.303 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 83.2 t80 -61.66 -50.37 72.8 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 124.603 1.161 . . . . 0.0 111.05 175.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 50.9 m -63.26 -34.18 77.1 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.101 0.96 . . . . 0.0 112.974 178.472 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.35 -19.76 63.02 Favored 'General case' 0 CA--C 1.546 0.798 0 N-CA-C 113.597 0.962 . . . . 0.0 113.597 176.124 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -87.11 -34.36 10.87 Favored Glycine 0 CA--C 1.535 1.334 0 C-N-CA 124.856 1.217 . . . . 0.0 113.063 168.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 15.3 mm-40 -71.08 -38.05 72.45 Favored 'General case' 0 CA--C 1.538 0.511 0 O-C-N 121.504 -0.998 . . . . 0.0 112.984 176.391 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -150.63 150.79 31.6 Favored 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 113.161 0.8 . . . . 0.0 113.161 -160.287 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 10.7 ptp85 -144.05 152.05 40.48 Favored 'General case' 0 N--CA 1.482 1.155 0 N-CA-C 115.162 1.541 . . . . 0.0 115.162 -179.232 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 92.28 143.99 13.25 Favored Glycine 0 CA--C 1.535 1.34 0 C-N-CA 124.928 1.251 . . . . 0.0 110.028 -157.336 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 30.7 mmmt -63.66 -36.04 82.53 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 118.019 0.91 . . . . 0.0 112.533 -170.676 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 14.2 t -79.08 -34.23 16.46 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 C-N-CA 124.513 1.125 . . . . 0.0 110.933 178.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.7 m -62.89 -46.78 86.25 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 124.083 0.953 . . . . 0.0 111.308 172.764 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -65.77 -38.97 90.49 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 113.512 0.93 . . . . 0.0 113.512 169.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -59.22 -41.25 88.18 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 120.123 1.328 . . . . 0.0 110.749 174.618 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 16.1 t80 -58.6 -39.04 79.29 Favored 'General case' 0 CA--C 1.538 0.51 0 O-C-N 121.472 -0.768 . . . . 0.0 112.253 174.279 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 35.1 t -72.5 -30.9 64.92 Favored 'General case' 0 CA--C 1.538 0.495 0 O-C-N 121.148 -0.97 . . . . 0.0 112.503 175.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 7.0 mp -74.57 -14.65 60.82 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 124.9 1.28 . . . . 0.0 113.854 170.165 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 47.1 mmtm -91.57 -31.03 16.07 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 125.26 1.424 . . . . 0.0 112.736 167.421 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.414 ' O ' ' HE3' ' A' ' 27' ' ' LYS . 98.5 m-70 -137.24 3.06 2.58 Favored 'General case' 0 N--CA 1.482 1.138 0 N-CA-C 117.274 2.324 . . . . 0.0 117.274 -162.264 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 68.5 m 58.05 18.79 5.43 Favored 'General case' 0 CA--C 1.552 1.029 0 CA-C-N 121.924 2.147 . . . . 0.0 115.755 -176.786 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.414 ' HE3' ' O ' ' A' ' 25' ' ' HIS . 10.2 ptpt -146.2 156.36 43.35 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 126.845 2.058 . . . . 0.0 111.557 -179.011 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 19.7 t -73.17 162.15 29.75 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-O 121.972 0.892 . . . . 0.0 111.946 176.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 16.9 tt -78.96 139.71 57.44 Favored Pre-proline 0 CA--C 1.548 0.903 0 C-N-CA 124.319 1.048 . . . . 0.0 111.87 -176.12 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo -62.84 145.21 94.61 Favored 'Trans proline' 0 CA--C 1.535 0.573 0 C-N-CA 123.13 2.553 . . . . 0.0 113.225 169.752 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 22.1 ptt-85 . . . . . 0 C--O 1.251 1.149 0 C-N-CA 125.5 1.52 . . . . 0.0 112.824 172.582 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.887 0 N-CA-C 109.661 -1.376 . . . . 0.0 109.661 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.3 m -72.22 108.45 5.39 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 118.348 1.074 . . . . 0.0 109.563 173.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 69.88 -94.87 0.45 Allowed Glycine 0 CA--C 1.532 1.107 0 O-C-N 121.576 -0.702 . . . . 0.0 111.642 -167.317 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.3 m -109.52 -96.26 0.4 Allowed 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 124.7 1.2 . . . . 0.0 109.142 160.312 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 67.0 mtm -150.6 144.82 25.51 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 124.867 1.267 . . . . 0.0 110.953 165.484 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -57.1 -45.17 83.6 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.297 1.039 . . . . 0.0 111.208 167.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -62.47 -32.99 73.97 Favored 'General case' 0 N--CA 1.477 0.912 0 N-CA-C 114.509 1.3 . . . . 0.0 114.509 -175.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 45.5 t80 -75.3 -53.81 8.14 Favored 'General case' 0 C--O 1.237 0.446 0 C-N-CA 123.486 0.715 . . . . 0.0 110.624 173.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -68.75 -20.51 64.37 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-O 117.875 -1.06 . . . . 0.0 113.44 -174.599 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.31 -17.73 55.1 Favored 'General case' 0 CA--C 1.546 0.817 0 CA-C-N 120.233 1.379 . . . . 0.0 113.875 171.258 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -90.19 -11.55 62.81 Favored Glycine 0 CA--C 1.54 1.62 0 CA-C-N 119.296 0.953 . . . . 0.0 114.895 170.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 72.7 mm-40 -116.27 -45.82 2.82 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-N 118.949 1.374 . . . . 0.0 112.608 -172.083 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 14.5 m -127.47 135.65 50.69 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 127.009 2.124 . . . . 0.0 110.044 -165.457 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 77.1 mtt85 -137.26 158.4 44.5 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 115.371 1.619 . . . . 0.0 115.371 -171.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 77.06 149.38 3.27 Favored Glycine 0 CA--C 1.532 1.115 0 CA-C-N 114.664 -1.153 . . . . 0.0 111.121 -160.489 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 39.5 ttmt -55.71 -34.45 65.12 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 124.922 1.289 . . . . 0.0 112.748 -174.443 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 47.2 t -81.15 -38.41 16.62 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 C-N-CA 124.233 1.013 . . . . 0.0 113.068 -173.292 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 10.8 t -67.95 -43.69 78.51 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 123.884 0.874 . . . . 0.0 110.944 172.085 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -61.89 -37.37 84.32 Favored 'General case' 0 CA--C 1.549 0.934 0 N-CA-C 113.496 0.925 . . . . 0.0 113.496 168.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -67.21 -35.42 79.57 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-N 119.86 1.209 . . . . 0.0 112.397 174.386 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 51.5 t80 -64.47 -39.8 94.48 Favored 'General case' 0 N--CA 1.47 0.568 0 O-C-N 121.276 -0.89 . . . . 0.0 112.024 168.376 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 41.3 t -62.79 -34.47 77.33 Favored 'General case' 0 N--CA 1.473 0.724 0 O-C-N 121.199 -0.938 . . . . 0.0 111.609 175.593 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.4 mp -67.67 -6.44 20.62 Favored 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 115.111 1.523 . . . . 0.0 115.111 172.78 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 11.0 mttm -115.04 -23.36 9.09 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 124.87 1.268 . . . . 0.0 112.43 172.112 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -140.86 2.05 1.73 Allowed 'General case' 0 CA--C 1.545 0.773 0 N-CA-C 117.037 2.236 . . . . 0.0 117.037 -163.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 73.2 m 55.39 15.46 1.41 Allowed 'General case' 0 CA--C 1.556 1.176 0 N-CA-C 116.68 2.104 . . . . 0.0 116.68 178.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -130.66 168.13 17.64 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 127.935 2.494 . . . . 0.0 110.24 175.248 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 21.7 m -73.59 167.63 20.94 Favored 'General case' 0 CA--C 1.543 0.695 0 O-C-N 122.342 -0.224 . . . . 0.0 110.966 167.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 19.9 tt -78.82 132.32 64.74 Favored Pre-proline 0 CA--C 1.549 0.934 0 CA-C-O 118.116 -0.945 . . . . 0.0 112.239 -177.14 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_exo -58.53 106.51 0.28 Allowed 'Trans proline' 0 CA--C 1.541 0.867 0 C-N-CA 123.487 2.791 . . . . 0.0 115.071 -173.081 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 91.9 mtt180 . . . . . 0 C--O 1.25 1.092 0 C-N-CA 126.992 2.117 . . . . 0.0 111.135 -177.276 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.546 0.812 0 N-CA-C 107.634 -1.247 . . . . 0.0 107.634 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 50.5 mtt -138.25 143.41 40.08 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.493 1.517 . . . . 0.0 107.412 145.722 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 32.6 ttpt -65.81 -23.54 66.72 Favored 'General case' 0 N--CA 1.481 1.095 0 CA-C-N 119.776 1.171 . . . . 0.0 113.039 -178.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 24.1 mp0 -68.6 -57.28 5.96 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.802 1.641 . . . . 0.0 110.843 170.51 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 67.4 t80 -53.33 -47.35 69.38 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 125.119 1.368 . . . . 0.0 111.831 177.021 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 80.7 m -63.5 -32.45 73.9 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-O 117.98 -1.01 . . . . 0.0 113.285 -176.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -82.72 -23.9 33.84 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 120.223 1.374 . . . . 0.0 113.697 173.199 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -75.75 -10.39 84.89 Favored Glycine 0 CA--C 1.536 1.404 0 C-N-CA 125.384 1.468 . . . . 0.0 114.834 171.322 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 64.8 mm-40 -122.16 -39.43 2.59 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-N 118.786 1.293 . . . . 0.0 114.09 178.354 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.422 ' SG ' ' HB3' ' A' ' 18' ' ' SER . 10.4 t -129.61 153.72 47.8 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.561 1.145 . . . . 0.0 111.652 -169.312 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 28.6 mmm180 -132.77 138.48 47.17 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 116.04 1.867 . . . . 0.0 116.04 -164.297 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 88.65 153.69 27.23 Favored Glycine 0 CA--C 1.531 1.033 0 C-N-CA 124.985 1.279 . . . . 0.0 111.942 -173.012 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -57.5 -43.14 83.94 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.974 1.31 . . . . 0.0 112.027 -167.445 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 39.7 t -80.77 -35.37 14.73 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 C-N-CA 124.754 1.222 . . . . 0.0 111.505 -173.827 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.422 ' HB3' ' SG ' ' A' ' 13' ' ' CYS . 1.5 m -65.03 -49.87 68.45 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 124.713 1.205 . . . . 0.0 111.107 173.171 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 81.5 mt-30 -58.61 -39.08 79.42 Favored 'General case' 0 CA--C 1.549 0.928 0 N-CA-C 112.965 0.728 . . . . 0.0 112.965 169.274 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -64.92 -36.16 83.47 Favored 'General case' 0 CA--C 1.541 0.621 0 O-C-N 120.54 -1.35 . . . . 0.0 112.72 174.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 18.8 t80 -62.36 -38.33 89.13 Favored 'General case' 0 CA--C 1.538 0.486 0 O-C-N 121.537 -0.727 . . . . 0.0 111.379 171.573 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 41.1 t -67.92 -33.46 74.72 Favored 'General case' 0 CA--C 1.542 0.649 0 O-C-N 121.268 -0.895 . . . . 0.0 112.42 175.752 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.3 mp -62.97 -20.36 65.18 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.329 1.452 . . . . 0.0 114.581 170.862 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 54.0 mttp -103.06 -35.61 8.46 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 126.053 1.741 . . . . 0.0 112.967 179.042 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -128.88 2.24 5.36 Favored 'General case' 0 N--CA 1.477 0.92 0 N-CA-C 114.755 1.391 . . . . 0.0 114.755 -163.032 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 91.2 m 53.69 27.03 6.4 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 125.563 1.545 . . . . 0.0 114.621 -177.535 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.3 ptmm? -148.16 164.97 32.3 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 125.976 1.71 . . . . 0.0 111.32 178.548 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.8 t -73.6 159.29 33.31 Favored 'General case' 0 CA--C 1.542 0.662 0 CA-C-O 121.449 0.642 . . . . 0.0 111.815 172.41 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 19.4 tt . . . . . 0 CA--C 1.544 0.744 0 C-N-CA 124.546 1.138 . . . . 0.0 111.558 -172.488 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 23.4 t . . . . . 0 CA--C 1.547 0.858 0 N-CA-C 107.104 -1.443 . . . . 0.0 107.104 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 64.9 mtt -150.67 138.34 19.78 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 126.953 2.101 . . . . 0.0 108.043 160.258 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 30.3 ttmt -60.61 -45.54 93.65 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.253 1.021 . . . . 0.0 113.221 -171.668 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 80.1 mt-10 -70.94 -42.76 69.39 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.62 1.168 . . . . 0.0 111.49 -177.713 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 66.2 t80 -58.41 -43.24 88.54 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 125.281 1.432 . . . . 0.0 111.682 176.51 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 52.6 m -65.76 -43.68 88.17 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 124.339 1.056 . . . . 0.0 112.557 176.622 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.46 -26.73 68.67 Favored 'General case' 0 CA--C 1.547 0.83 0 CA-C-N 118.505 0.593 . . . . 0.0 112.094 170.158 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -75.08 -8.85 83.7 Favored Glycine 0 CA--C 1.539 1.561 0 C-N-CA 125.104 1.335 . . . . 0.0 116.074 172.047 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -132.27 -9.89 3.31 Favored 'General case' 0 N--CA 1.481 1.078 0 N-CA-C 116.894 2.183 . . . . 0.0 116.894 176.129 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -145.96 155.17 42.66 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-N 120.251 1.387 . . . . 0.0 111.714 -175.819 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 9.7 ptp180 -153.77 148.75 26.71 Favored 'General case' 0 N--CA 1.482 1.159 0 N-CA-C 115.739 1.755 . . . . 0.0 115.739 -174.307 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 90.66 140.29 8.51 Favored Glycine 0 CA--C 1.534 1.23 0 N-CA-C 109.465 -1.454 . . . . 0.0 109.465 -153.215 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.4 tmtm? -66.84 -35.14 79.36 Favored 'General case' 0 N--CA 1.477 0.914 0 CA-C-N 118.414 1.107 . . . . 0.0 112.4 -169.239 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.7 p -71.96 -31.76 41.68 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 C-N-CA 123.728 0.811 . . . . 0.0 112.564 175.154 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.8 m -72.55 -45.45 59.23 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 125.855 1.662 . . . . 0.0 110.429 178.478 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 79.7 mt-30 -63.74 -35.31 80.15 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 123.631 0.772 . . . . 0.0 112.307 168.46 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -64.15 -39.89 94.97 Favored 'General case' 0 N--CA 1.474 0.757 0 O-C-N 120.956 -1.09 . . . . 0.0 112.3 172.412 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 10.0 t80 -56.14 -37.99 70.22 Favored 'General case' 0 N--CA 1.47 0.527 0 O-C-N 121.436 -0.79 . . . . 0.0 111.642 170.565 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 49.8 t -71.09 -33.18 69.94 Favored 'General case' 0 CA--C 1.539 0.55 0 O-C-N 120.632 -1.293 . . . . 0.0 112.44 177.56 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 7.6 mp -70.9 -18.7 62.66 Favored 'General case' 0 CA--C 1.546 0.818 0 N-CA-C 114.327 1.232 . . . . 0.0 114.327 169.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 56.9 mttp -101.93 -16.83 16.4 Favored 'General case' 0 N--CA 1.48 1.032 0 N-CA-C 115.026 1.491 . . . . 0.0 115.026 175.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 68.2 m-70 -139.67 -10.12 1.21 Allowed 'General case' 0 N--CA 1.479 0.989 0 N-CA-C 115.567 1.692 . . . . 0.0 115.567 -170.15 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . 0.25 2.8 t 54.55 34.9 22.23 Favored 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 125.72 1.608 . . . . 0.0 113.875 -171.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 46.9 mttp -143.99 159.26 42.9 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 129.222 3.009 . . . . 0.0 109.814 -178.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 10.8 t -76.77 161.83 28.16 Favored 'General case' 0 CA--C 1.545 0.753 0 CA-C-O 121.949 0.88 . . . . 0.0 111.42 164.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 19.1 tt . . . . . 0 CA--C 1.545 0.775 0 C-N-CA 125.509 1.524 . . . . 0.0 112.076 -173.323 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 7.1 t . . . . . 0 CA--C 1.544 0.747 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 83.7 mtp -142.54 130.77 22.1 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 125.22 1.408 . . . . 0.0 108.372 157.206 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 21.8 ttpp -66.95 -34.72 78.4 Favored 'General case' 0 N--CA 1.472 0.628 0 O-C-N 121.635 -0.666 . . . . 0.0 112.648 -174.506 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -69.89 -30.99 68.57 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 113.169 0.803 . . . . 0.0 113.169 177.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 92.7 t80 -67.5 -53.3 29.85 Favored 'General case' 0 CA--C 1.531 0.23 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 169.877 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 84.7 m -65.03 -38.89 92.38 Favored 'General case' 0 CA--C 1.535 0.383 0 N-CA-C 114.255 1.205 . . . . 0.0 114.255 -175.489 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -74.49 -19.16 60.48 Favored 'General case' 0 CA--C 1.54 0.575 0 N-CA-C 113.468 0.914 . . . . 0.0 113.468 174.765 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -81.93 -49.88 5.15 Favored Glycine 0 CA--C 1.529 0.949 0 C-N-CA 123.58 0.609 . . . . 0.0 112.348 174.031 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 10.8 mm100 -83.95 -18.36 37.53 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 125.037 1.335 . . . . 0.0 114.448 -175.033 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.7 t -139.26 148.69 43.38 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 124.551 1.14 . . . . 0.0 111.782 -173.399 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.82 151.35 41.06 Favored 'General case' 0 N--CA 1.479 1.013 0 N-CA-C 113.734 1.013 . . . . 0.0 113.734 -171.136 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 89.09 139.49 7.13 Favored Glycine 0 CA--C 1.533 1.194 0 C-N-CA 124.919 1.247 . . . . 0.0 110.171 -157.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 58.1 tttm -60.33 -39.05 85.71 Favored 'General case' 0 N--CA 1.479 0.994 0 CA-C-N 118.159 0.979 . . . . 0.0 112.224 -169.534 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 38.7 t -83.31 -26.56 7.77 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.502 0 C-N-CA 123.95 0.9 . . . . 0.0 111.852 -177.625 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.3 m -65.51 -49.04 70.46 Favored 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 124.543 1.137 . . . . 0.0 111.203 168.463 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -58.31 -40.34 81.77 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 122.861 0.464 . . . . 0.0 112.053 171.354 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -65.63 -39.47 91.49 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 112.96 0.726 . . . . 0.0 112.96 174.603 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 23.2 t80 -57.44 -35.68 70.42 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 120.006 1.275 . . . . 0.0 111.538 173.853 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 44.8 t -73.63 -31.34 63.47 Favored 'General case' 0 CA--C 1.535 0.375 0 O-C-N 121.492 -0.755 . . . . 0.0 112.378 176.418 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 6.7 mp -63.25 -44.77 94.26 Favored 'General case' 0 CA--C 1.544 0.712 0 O-C-N 120.912 -1.118 . . . . 0.0 111.121 165.744 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 48.4 mmtm -65.12 -35.82 82.32 Favored 'General case' 0 N--CA 1.474 0.755 0 O-C-N 121.033 -1.042 . . . . 0.0 113.715 178.014 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 89.7 m-70 -133.83 -4.43 2.84 Favored 'General case' 0 N--CA 1.484 1.232 0 N-CA-C 116.596 2.072 . . . . 0.0 116.596 -163.429 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . 0.268 1.8 t 50.71 36.07 13.33 Favored 'General case' 0 CA--C 1.552 1.037 0 N-CA-C 115.659 1.726 . . . . 0.0 115.659 -171.068 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.4 ptpt -145.22 158.0 43.93 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 127.013 2.125 . . . . 0.0 110.128 167.59 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 9.0 t -71.13 161.14 31.61 Favored 'General case' 0 CA--C 1.544 0.717 0 CA-C-O 121.413 0.625 . . . . 0.0 111.793 170.122 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 20.7 tt . . . . . 0 CA--C 1.548 0.891 0 C-N-CA 125.195 1.398 . . . . 0.0 112.853 -169.482 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 18.0 t . . . . . 0 N--CA 1.47 0.553 0 CA-C-O 119.93 -0.081 . . . . 0.0 110.95 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 94.3 mtp -139.41 115.31 10.19 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 126.476 1.91 . . . . 0.0 107.858 168.078 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 27.8 ttpp -57.43 -43.6 83.99 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 125.329 1.451 . . . . 0.0 112.938 -171.237 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -72.84 -42.69 63.5 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.382 0.673 . . . . 0.0 111.372 -176.638 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 79.0 t80 -56.38 -51.83 66.86 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 124.95 1.3 . . . . 0.0 111.128 176.273 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 66.9 m -67.48 -38.04 83.78 Favored 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 112.858 0.688 . . . . 0.0 112.858 -179.347 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.65 -26.41 65.31 Favored 'General case' 0 CA--C 1.547 0.854 0 N-CA-C 113.766 1.024 . . . . 0.0 113.766 175.77 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -94.14 -39.54 4.8 Favored Glycine 0 CA--C 1.534 1.263 0 C-N-CA 124.994 1.283 . . . . 0.0 114.963 -176.676 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 97.2 mm-40 -87.79 -18.47 29.29 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-N 119.106 1.453 . . . . 0.0 113.674 178.168 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.7 t -128.82 146.84 50.81 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.87 1.268 . . . . 0.0 111.923 -178.444 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 14.4 mmt85 -141.8 148.58 39.12 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 114.655 1.354 . . . . 0.0 114.655 -171.346 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 88.15 144.15 9.43 Favored Glycine 0 CA--C 1.531 1.078 0 N-CA-C 110.022 -1.231 . . . . 0.0 110.022 -159.486 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 26.8 tptp -53.98 -47.52 71.31 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 125.46 1.504 . . . . 0.0 112.412 -175.01 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 21.8 t -78.0 -33.62 18.49 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.574 0 C-N-CA 125.391 1.476 . . . . 0.0 111.097 -174.278 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.8 m -62.62 -50.33 71.67 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 124.381 1.072 . . . . 0.0 111.496 171.032 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -59.16 -41.77 89.14 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 112.438 0.532 . . . . 0.0 112.438 172.356 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -64.4 -39.82 94.6 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.334 0.653 . . . . 0.0 112.472 177.056 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 23.3 t80 -55.19 -39.06 69.16 Favored 'General case' 0 N--CA 1.474 0.756 0 O-C-N 121.263 -0.898 . . . . 0.0 111.442 170.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 43.0 t -73.38 -29.57 62.7 Favored 'General case' 0 CA--C 1.534 0.337 0 O-C-N 121.421 -0.8 . . . . 0.0 112.486 177.248 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.5 mp -67.37 -39.01 85.64 Favored 'General case' 0 CA--C 1.546 0.8 0 O-C-N 120.624 -1.298 . . . . 0.0 111.793 168.688 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 40.5 mmtm -71.24 -36.69 71.88 Favored 'General case' 0 N--CA 1.481 1.093 0 O-C-N 120.705 -1.247 . . . . 0.0 113.858 174.234 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 80.5 m-70 -126.26 -5.1 6.67 Favored 'General case' 0 N--CA 1.478 0.945 0 N-CA-C 114.99 1.478 . . . . 0.0 114.99 -161.606 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 2.0 t 54.76 16.28 1.36 Allowed 'General case' 0 CA--C 1.55 0.979 0 N-CA-C 116.409 2.003 . . . . 0.0 116.409 -171.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.0 ptpp? -131.51 156.97 44.77 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 126.993 2.117 . . . . 0.0 110.692 172.578 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 15.5 t -75.45 165.24 25.42 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-O 122.258 1.028 . . . . 0.0 111.522 174.394 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 19.1 tt . . . . . 0 CA--C 1.549 0.922 0 C-N-CA 125.495 1.518 . . . . 0.0 113.235 -165.062 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 6.8 t . . . . . 0 CA--C 1.543 0.71 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 64.5 mtt -136.18 135.16 38.92 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.743 1.217 . . . . 0.0 107.845 139.412 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 25.4 ttpp -59.23 -43.14 92.34 Favored 'General case' 0 N--CA 1.479 0.988 0 CA-C-N 119.345 0.975 . . . . 0.0 113.518 -172.378 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 6.7 mp0 -65.88 -45.95 80.18 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 123.329 0.652 . . . . 0.0 111.598 177.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 81.0 t80 -60.18 -43.36 95.93 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.643 1.177 . . . . 0.0 111.969 177.88 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 17.3 m -59.18 -25.99 64.41 Favored 'General case' 0 CA--C 1.538 0.486 0 N-CA-C 113.81 1.041 . . . . 0.0 113.81 177.069 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -73.79 -14.33 61.09 Favored 'General case' 0 CA--C 1.547 0.849 0 N-CA-C 114.315 1.228 . . . . 0.0 114.315 176.459 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -98.06 -35.81 4.93 Favored Glycine 0 CA--C 1.537 1.406 0 C-N-CA 124.933 1.254 . . . . 0.0 113.205 169.269 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 85.6 mm-40 -72.78 -23.66 60.83 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 118.55 1.175 . . . . 0.0 113.503 176.328 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.441 ' SG ' ' HB3' ' A' ' 18' ' ' SER . 3.9 t -152.99 152.39 31.36 Favored 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 114.174 1.176 . . . . 0.0 114.174 -173.369 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 29.4 mmm180 -135.15 148.5 49.75 Favored 'General case' 0 N--CA 1.48 1.061 0 N-CA-C 114.139 1.163 . . . . 0.0 114.139 -175.437 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 90.3 145.86 14.38 Favored Glycine 0 CA--C 1.531 1.058 0 C-N-CA 125.403 1.478 . . . . 0.0 110.741 -165.74 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 60.2 tttm -61.66 -43.56 98.62 Favored 'General case' 0 N--CA 1.476 0.852 0 CA-C-N 118.357 1.078 . . . . 0.0 112.62 -170.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 37.9 t -77.7 -33.08 18.59 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 C-N-CA 124.733 1.213 . . . . 0.0 111.284 -176.661 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.441 ' HB3' ' SG ' ' A' ' 13' ' ' CYS . 5.2 m -64.97 -48.13 75.12 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 124.927 1.291 . . . . 0.0 111.134 171.295 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -60.15 -37.64 80.73 Favored 'General case' 0 CA--C 1.545 0.765 0 O-C-N 121.17 -0.956 . . . . 0.0 113.324 168.486 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -62.7 -35.37 79.48 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-N 119.933 1.242 . . . . 0.0 111.936 172.725 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 16.6 t80 -62.57 -39.91 95.17 Favored 'General case' 0 N--CA 1.471 0.603 0 O-C-N 121.348 -0.845 . . . . 0.0 112.131 170.276 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 48.8 t -68.22 -32.49 72.73 Favored 'General case' 0 CA--C 1.54 0.563 0 O-C-N 121.41 -0.806 . . . . 0.0 111.97 176.345 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.6 mp -63.85 -30.08 71.2 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.903 1.281 . . . . 0.0 113.505 170.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -80.23 -47.01 15.29 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.513 1.125 . . . . 0.0 112.595 170.845 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 39.7 m80 -124.7 0.67 8.13 Favored 'General case' 0 N--CA 1.48 1.061 0 N-CA-C 116.104 1.89 . . . . 0.0 116.104 -152.726 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 81.3 m 59.48 13.37 3.23 Favored 'General case' 0 N--CA 1.479 1.009 0 N-CA-C 116.564 2.061 . . . . 0.0 116.564 -177.08 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -137.9 167.74 21.13 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 127.139 2.176 . . . . 0.0 112.03 178.542 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 6.0 t -88.04 159.16 18.38 Favored 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 113.259 0.837 . . . . 0.0 113.259 173.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 14.6 tt . . . . . 0 CA--C 1.547 0.864 0 C-N-CA 124.779 1.232 . . . . 0.0 112.176 -168.201 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.538 0.489 0 N-CA-C 107.062 -1.458 . . . . 0.0 107.062 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 56.0 mtt -147.21 141.56 26.33 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 125.029 1.332 . . . . 0.0 109.441 154.422 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -53.49 -41.93 66.76 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 125.054 1.342 . . . . 0.0 111.501 172.701 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 29.7 mp0 -64.3 -51.36 63.89 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 126.435 1.894 . . . . 0.0 112.216 -178.835 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 69.9 t80 -57.75 -48.4 79.75 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 125.231 1.412 . . . . 0.0 110.756 174.52 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 63.4 m -60.12 -32.52 71.07 Favored 'General case' 0 CA--C 1.534 0.353 0 N-CA-C 113.12 0.785 . . . . 0.0 113.12 177.868 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -81.54 -20.96 38.92 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 114.581 1.326 . . . . 0.0 114.581 174.62 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -80.16 -33.11 33.46 Favored Glycine 0 CA--C 1.535 1.31 0 C-N-CA 124.309 0.956 . . . . 0.0 113.62 171.486 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 -102.97 -11.38 18.24 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 125.109 1.364 . . . . 0.0 114.202 -174.9 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.2 t -148.43 151.81 35.88 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.787 1.235 . . . . 0.0 112.391 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 83.7 mtm-85 -142.17 153.46 44.07 Favored 'General case' 0 N--CA 1.48 1.069 0 N-CA-C 114.982 1.475 . . . . 0.0 114.982 -178.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 90.47 140.47 8.49 Favored Glycine 0 CA--C 1.531 1.032 0 N-CA-C 110.151 -1.18 . . . . 0.0 110.151 -160.026 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 32.5 ttmt -63.45 -37.46 87.37 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 124.47 1.108 . . . . 0.0 112.843 -168.695 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 43.2 t -79.9 -33.07 14.42 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 C-N-CA 125.448 1.499 . . . . 0.0 111.543 178.224 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.4 m -63.76 -47.29 81.61 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 124.593 1.157 . . . . 0.0 111.045 173.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -63.26 -34.85 78.57 Favored 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 113.51 0.93 . . . . 0.0 113.51 168.787 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -68.51 -34.85 76.61 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-N 119.726 1.148 . . . . 0.0 111.991 176.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 69.0 t80 -57.93 -39.75 78.78 Favored 'General case' 0 N--CA 1.477 0.888 0 O-C-N 120.558 -1.339 . . . . 0.0 112.546 166.814 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 52.6 t -67.77 -33.02 74.03 Favored 'General case' 0 CA--C 1.54 0.572 0 O-C-N 121.118 -0.989 . . . . 0.0 112.291 178.195 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.7 mp -64.52 -19.01 65.34 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 124.461 1.104 . . . . 0.0 113.83 168.815 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 84.7 mttt -94.91 -30.4 14.18 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.578 1.151 . . . . 0.0 113.557 173.484 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 52.3 m80 -140.95 7.7 2.06 Favored 'General case' 0 N--CA 1.479 1.022 0 N-CA-C 116.748 2.129 . . . . 0.0 116.748 -163.434 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 8.2 t 52.5 28.72 6.23 Favored 'General case' 0 CA--C 1.555 1.154 0 N-CA-C 115.789 1.774 . . . . 0.0 115.789 175.853 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -144.97 160.86 40.67 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 128.373 2.669 . . . . 0.0 109.171 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 11.8 t -76.01 157.4 33.07 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 119.551 1.068 . . . . 0.0 111.234 170.855 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 18.7 tt . . . . . 0 CA--C 1.544 0.721 0 C-N-CA 124.364 1.066 . . . . 0.0 112.222 -170.236 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.542 0.638 0 N-CA-C 109.581 -0.526 . . . . 0.0 109.581 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 65.8 mtt -149.3 147.69 28.65 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 125.425 1.49 . . . . 0.0 109.496 172.137 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 22.0 mtmm -60.2 -49.02 79.29 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.782 0.833 . . . . 0.0 111.236 175.306 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 54.5 mp0 -63.12 -41.18 99.29 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.075 0.95 . . . . 0.0 111.875 -176.096 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 81.1 t80 -55.42 -47.67 75.58 Favored 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 124.753 1.221 . . . . 0.0 112.129 179.077 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.7 m -86.07 -22.41 27.18 Favored 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 114.405 1.261 . . . . 0.0 114.405 -177.826 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.8 -26.48 68.13 Favored 'General case' 0 CA--C 1.554 1.097 0 CA-C-N 120.41 1.459 . . . . 0.0 112.062 160.458 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -80.59 7.4 58.17 Favored Glycine 0 CA--C 1.54 1.602 0 C-N-CA 126.287 1.898 . . . . 0.0 114.974 168.358 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 80.7 mm-40 -122.95 -57.65 1.7 Allowed 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.537 1.535 . . . . 0.0 111.462 174.089 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 96.2 m -150.08 165.03 33.99 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 125.393 1.477 . . . . 0.0 113.356 -169.242 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 19.8 mtp-105 -130.22 -179.65 5.37 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 125.176 1.39 . . . . 0.0 112.1 172.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 90.36 123.94 2.71 Favored Glycine 0 CA--C 1.522 0.481 0 N-CA-C 107.967 -2.053 . . . . 0.0 107.967 -161.231 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 37.1 tttp -53.95 -34.53 59.94 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 124.934 1.294 . . . . 0.0 112.505 -174.685 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 5.6 p -77.95 -29.44 15.79 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 C-N-CA 124.443 1.097 . . . . 0.0 113.311 178.629 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.6 t -71.82 -44.43 63.93 Favored 'General case' 0 N--CA 1.471 0.618 0 O-C-N 121.508 -0.745 . . . . 0.0 110.347 172.817 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -62.69 -39.48 94.1 Favored 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 113.159 0.8 . . . . 0.0 113.159 170.369 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -68.92 -34.83 76.03 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 119.858 1.208 . . . . 0.0 112.878 176.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 49.3 t80 -62.45 -40.39 96.47 Favored 'General case' 0 N--CA 1.471 0.587 0 O-C-N 120.997 -1.064 . . . . 0.0 111.773 169.421 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 43.9 t -60.93 -35.0 75.56 Favored 'General case' 0 N--CA 1.471 0.583 0 O-C-N 121.079 -1.013 . . . . 0.0 111.86 174.074 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 6.2 mp -69.36 -3.22 13.27 Favored 'General case' 0 CA--C 1.548 0.897 0 N-CA-C 115.024 1.49 . . . . 0.0 115.024 174.032 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 44.7 mmtm -111.04 -24.17 10.5 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 126.2 1.8 . . . . 0.0 114.133 163.398 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -135.83 -3.17 2.31 Favored 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 117.421 2.378 . . . . 0.0 117.421 -161.687 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 3.4 t 57.68 22.47 8.39 Favored 'General case' 0 CA--C 1.554 1.101 0 N-CA-C 116.103 1.89 . . . . 0.0 116.103 -177.038 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 16.8 ptpt -143.42 165.65 26.95 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 126.445 1.898 . . . . 0.0 111.172 174.302 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 31.2 m -55.64 155.17 5.9 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 122.459 0.304 . . . . 0.0 111.814 166.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 13.5 tt . . . . . 0 N--CA 1.476 0.864 0 CA-C-O 118.098 -0.953 . . . . 0.0 109.062 166.581 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.1 m . . . . . 0 CA--C 1.546 0.808 0 N-CA-C 112.323 0.49 . . . . 0.0 112.323 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 74.6 mtm -147.87 148.39 30.79 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 125.912 1.685 . . . . 0.0 108.766 170.147 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 55.9 mtmt -61.94 -48.68 79.31 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 123.611 0.764 . . . . 0.0 111.56 -178.667 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 33.7 mp0 -62.13 -40.54 96.28 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 123.712 0.805 . . . . 0.0 111.788 -178.869 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 66.8 t80 -62.93 -50.46 70.74 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 123.897 0.879 . . . . 0.0 111.601 176.085 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 57.5 m -64.77 -41.03 96.17 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 123.904 0.882 . . . . 0.0 112.419 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.47 -30.41 71.54 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 118.933 0.788 . . . . 0.0 112.777 175.733 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -69.46 -23.85 76.35 Favored Glycine 0 CA--C 1.537 1.439 0 O-C-N 121.423 -0.798 . . . . 0.0 114.556 174.748 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -118.97 -1.3 11.0 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 115.74 1.756 . . . . 0.0 115.74 -177.645 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -154.93 144.17 21.11 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 119.176 0.898 . . . . 0.0 112.421 -174.522 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 20.7 mmt85 -140.54 155.39 46.63 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.703 1.201 . . . . 0.0 114.068 -172.552 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 79.51 146.35 3.75 Favored Glycine 0 CA--C 1.534 1.224 0 N-CA-C 111.346 -0.702 . . . . 0.0 111.346 -162.424 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 64.1 mttm -55.77 -41.96 74.8 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 124.397 1.079 . . . . 0.0 113.273 -171.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.3 p -79.32 -33.54 15.6 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 N-CA-C 112.766 0.654 . . . . 0.0 112.766 -173.598 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -65.91 -47.73 73.8 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 125.006 1.322 . . . . 0.0 110.131 173.622 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -61.38 -40.48 94.48 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 113.277 0.843 . . . . 0.0 113.277 170.509 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -61.57 -39.8 92.46 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 119.14 0.882 . . . . 0.0 112.541 175.633 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 33.5 t80 -59.14 -41.04 87.34 Favored 'General case' 0 CA--C 1.538 0.498 0 O-C-N 122.056 -0.402 . . . . 0.0 111.825 172.163 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 45.5 t -68.01 -27.96 67.0 Favored 'General case' 0 CA--C 1.542 0.672 0 O-C-N 120.714 -1.241 . . . . 0.0 112.033 177.704 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 7.5 mp -78.67 -4.76 50.64 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 125.522 1.529 . . . . 0.0 114.455 170.414 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 57.1 mttp -108.99 -17.85 13.82 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 125.944 1.697 . . . . 0.0 113.564 169.431 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -143.25 -4.56 0.89 Allowed 'General case' 0 N--CA 1.477 0.909 0 N-CA-C 116.881 2.178 . . . . 0.0 116.881 -163.17 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 64.8 m 60.63 16.07 6.27 Favored 'General case' 0 N--CA 1.481 1.078 0 N-CA-C 116.709 2.114 . . . . 0.0 116.709 -175.261 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 17.9 ptpt -139.57 156.93 46.59 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 126.195 1.798 . . . . 0.0 111.802 177.82 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.7 t -69.7 156.58 38.76 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-O 121.281 0.562 . . . . 0.0 111.7 167.298 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 20.0 tt . . . . . 0 CA--C 1.544 0.732 0 C-N-CA 124.319 1.047 . . . . 0.0 113.011 -164.887 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.538 0.492 0 CA-C-O 120.396 0.141 . . . . 0.0 111.278 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 44.8 mtm -157.7 132.83 8.78 Favored 'General case' 0 C--O 1.239 0.514 0 C-N-CA 128.461 2.704 . . . . 0.0 108.162 163.809 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 34.0 mtmm -63.79 -44.77 92.36 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 124.639 1.176 . . . . 0.0 111.054 176.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 52.9 mp0 -65.54 -41.04 93.47 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 123.571 0.748 . . . . 0.0 112.241 -177.873 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 62.2 t80 -61.73 -41.24 97.38 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 126.383 1.873 . . . . 0.0 112.005 179.254 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 42.0 t -73.9 -56.66 4.68 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-O 119.321 -0.371 . . . . 0.0 111.436 174.123 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.68 -30.89 71.73 Favored 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 113.407 0.891 . . . . 0.0 113.407 -171.493 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -73.92 -19.4 79.76 Favored Glycine 0 CA--C 1.534 1.232 0 CA-C-O 119.027 -0.874 . . . . 0.0 114.803 176.538 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 86.4 mm-40 -113.52 -33.0 6.02 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 118.985 1.392 . . . . 0.0 113.411 -175.06 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 86.0 m -130.07 137.27 50.12 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 125.455 1.502 . . . . 0.0 110.963 -171.66 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 78.8 mtm-85 -133.69 168.18 19.16 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 113.69 0.996 . . . . 0.0 113.69 -168.706 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 87.09 134.59 4.14 Favored Glycine 0 CA--C 1.531 1.052 0 C-N-CA 125.082 1.325 . . . . 0.0 110.172 -161.045 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 82.8 tttt -55.34 -30.47 60.32 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 125.519 1.527 . . . . 0.0 112.555 -176.143 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.3 p -76.79 -38.48 29.73 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 N-CA-C 113.071 0.767 . . . . 0.0 113.071 179.433 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 6.3 t -69.9 -44.58 69.42 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 119.366 0.984 . . . . 0.0 109.595 174.532 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 82.5 mt-30 -63.4 -11.01 19.66 Favored 'General case' 0 CA--C 1.551 1.009 0 N-CA-C 116.663 2.098 . . . . 0.0 116.663 170.454 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -93.99 -45.51 7.56 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 125.436 1.494 . . . . 0.0 112.48 168.038 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 15.7 t80 -58.75 -39.79 81.95 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 123.323 0.649 . . . . 0.0 111.499 179.485 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 31.6 p -67.58 -28.29 67.65 Favored 'General case' 0 CA--C 1.534 0.349 0 O-C-N 121.046 -1.033 . . . . 0.0 112.183 178.8 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.4 mp -78.74 -5.74 54.02 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.179 0.992 . . . . 0.0 113.462 175.848 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 83.0 mttt -109.63 -18.93 13.36 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 127.0 2.12 . . . . 0.0 112.845 172.652 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -141.66 -5.36 1.05 Allowed 'General case' 0 N--CA 1.481 1.101 0 N-CA-C 117.971 2.582 . . . . 0.0 117.971 -164.896 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 7.4 t 64.51 -2.71 0.61 Allowed 'General case' 0 N--CA 1.484 1.269 0 CA-C-N 122.516 2.416 . . . . 0.0 115.753 -169.119 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 69.2 mttt -114.09 147.7 38.32 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 125.742 1.617 . . . . 0.0 111.424 -173.79 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 40.7 m -75.35 145.67 41.5 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-O 120.773 0.32 . . . . 0.0 110.295 164.7 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 20.1 tt . . . . . 0 CA--C 1.549 0.929 0 N-CA-C 114.12 1.155 . . . . 0.0 114.12 -159.245 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.3 m . . . . . 0 CA--C 1.54 0.588 0 N-CA-C 112.217 0.451 . . . . 0.0 112.217 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 72.2 mtm -149.13 137.75 21.08 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.577 1.151 . . . . 0.0 110.825 174.157 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 30.3 tttp -55.84 -39.02 70.84 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 125.379 1.471 . . . . 0.0 112.506 179.466 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 32.8 mp0 -66.75 -36.92 83.58 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.697 1.199 . . . . 0.0 112.975 176.277 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 64.7 t80 -71.11 -42.54 69.14 Favored 'General case' 0 N--CA 1.47 0.545 0 O-C-N 121.323 -0.86 . . . . 0.0 110.906 174.437 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 85.7 m -63.3 -39.82 95.64 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 123.512 0.725 . . . . 0.0 112.517 177.282 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.81 -28.3 62.48 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 118.959 0.799 . . . . 0.0 112.684 170.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -65.35 -46.02 88.18 Favored Glycine 0 CA--C 1.532 1.113 0 O-C-N 121.352 -0.842 . . . . 0.0 112.877 174.541 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 30.5 mm100 -98.07 -43.48 7.02 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.795 1.238 . . . . 0.0 114.298 -173.012 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 3.4 m -100.68 154.74 18.35 Favored 'General case' 0 CA--C 1.536 0.428 0 O-C-N 121.302 -0.874 . . . . 0.0 111.48 -166.341 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -138.52 144.33 39.9 Favored 'General case' 0 N--CA 1.471 0.585 0 N-CA-C 114.097 1.147 . . . . 0.0 114.097 178.791 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 91.43 140.28 8.95 Favored Glycine 0 CA--C 1.53 1.013 0 C-N-CA 124.808 1.194 . . . . 0.0 110.481 -163.834 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -62.3 -22.11 65.78 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 124.929 1.292 . . . . 0.0 113.515 -173.685 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 21.9 t -88.8 -37.43 10.15 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 C-N-CA 124.979 1.312 . . . . 0.0 111.269 177.843 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.6 m -65.61 -48.18 73.13 Favored 'General case' 0 C--O 1.232 0.155 0 C-N-CA 125.448 1.499 . . . . 0.0 111.575 175.638 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 90.7 mt-30 -60.3 -28.23 67.94 Favored 'General case' 0 CA--C 1.546 0.805 0 N-CA-C 113.893 1.071 . . . . 0.0 113.893 170.742 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -82.8 -33.99 27.1 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.263 1.025 . . . . 0.0 113.197 175.457 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 65.7 t80 -60.52 -33.8 73.16 Favored 'General case' 0 N--CA 1.471 0.616 0 O-C-N 120.62 -1.3 . . . . 0.0 111.157 172.802 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 20.4 t -68.44 -26.37 65.48 Favored 'General case' 0 CA--C 1.547 0.836 0 O-C-N 121.072 -1.017 . . . . 0.0 112.809 174.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.5 mp -78.26 -9.29 59.16 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 126.313 1.845 . . . . 0.0 114.049 169.745 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 58.2 mttp -101.97 -26.35 13.44 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 125.284 1.434 . . . . 0.0 112.453 169.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 52.9 m80 -140.48 2.54 1.84 Allowed 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 117.345 2.35 . . . . 0.0 117.345 -161.442 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 26.6 m 59.38 9.42 1.44 Allowed 'General case' 0 N--CA 1.482 1.128 0 N-CA-C 116.8 2.148 . . . . 0.0 116.8 -179.565 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.0 pttt -138.03 162.57 33.78 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 126.027 1.731 . . . . 0.0 111.825 172.288 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 68.6 m -73.88 157.79 35.67 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-O 121.649 0.738 . . . . 0.0 112.46 172.058 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 14.5 tt . . . . . 0 CA--C 1.552 1.034 0 C-N-CA 123.749 0.819 . . . . 0.0 112.774 -170.153 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.8 t . . . . . 0 CA--C 1.546 0.799 0 CA-C-O 119.778 -0.153 . . . . 0.0 110.746 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 83.0 mtp -157.38 144.43 18.39 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 127.517 2.327 . . . . 0.0 107.225 158.247 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 85.5 mttt -59.33 -45.22 91.95 Favored 'General case' 0 N--CA 1.48 1.049 0 CA-C-N 119.736 1.153 . . . . 0.0 112.692 -178.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 6.8 mp0 -66.93 -37.29 84.06 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.418 1.087 . . . . 0.0 113.256 179.072 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 84.1 t80 -65.33 -47.85 75.08 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.784 0.834 . . . . 0.0 110.768 177.067 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 92.7 m -65.65 -38.81 90.38 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-O 118.852 -0.594 . . . . 0.0 112.093 177.587 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.32 -33.64 76.18 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 119.157 0.889 . . . . 0.0 113.205 173.648 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -75.32 -47.55 12.59 Favored Glycine 0 CA--C 1.532 1.111 0 C-N-CA 124.689 1.138 . . . . 0.0 113.427 177.897 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 50.7 mm-40 -81.76 -41.88 20.57 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 118.477 1.139 . . . . 0.0 113.196 -177.89 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 10.7 m -110.59 167.64 10.07 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.689 1.196 . . . . 0.0 112.642 -169.872 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 81.3 mmt-85 -134.43 -168.48 2.15 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 124.932 1.293 . . . . 0.0 114.039 -175.913 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 67.8 6.18 42.6 Favored Glycine 0 CA--C 1.534 1.251 0 C-N-CA 126.159 1.837 . . . . 0.0 117.408 164.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 49.2 tttm 59.39 -30.05 0.04 OUTLIER 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 131.395 3.878 . . . . 0.0 114.639 -168.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 94.8 t -77.1 -42.71 31.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 C-N-CA 127.551 2.34 . . . . 0.0 113.018 175.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 16.2 t -71.1 -36.17 72.08 Favored 'General case' 0 N--CA 1.474 0.73 0 O-C-N 120.896 -1.127 . . . . 0.0 110.994 175.09 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 57.3 mt-30 -57.86 -41.93 83.46 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 123.856 0.862 . . . . 0.0 112.658 165.526 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -67.82 -42.11 82.03 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.37 1.068 . . . . 0.0 111.869 177.632 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 10.2 t80 -61.94 -38.34 88.07 Favored 'General case' 0 CA--C 1.535 0.393 0 N-CA-C 112.28 0.474 . . . . 0.0 112.28 171.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 41.4 t -66.21 -30.08 70.46 Favored 'General case' 0 CA--C 1.54 0.595 0 O-C-N 120.998 -1.064 . . . . 0.0 111.918 175.497 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.1 mp -73.84 -9.54 58.75 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 126.023 1.729 . . . . 0.0 114.539 170.832 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 59.3 mttp -107.39 -22.33 12.61 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 126.428 1.891 . . . . 0.0 113.708 172.589 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -142.92 -1.34 1.1 Allowed 'General case' 0 N--CA 1.479 1.019 0 N-CA-C 117.399 2.37 . . . . 0.0 117.399 -163.172 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.6 m 58.21 13.27 2.24 Favored 'General case' 0 N--CA 1.485 1.3 0 N-CA-C 116.6 2.074 . . . . 0.0 116.6 -171.721 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.3 ptpt -133.86 153.54 51.67 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 125.169 1.388 . . . . 0.0 112.088 178.544 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 59.7 m -70.69 150.99 45.4 Favored 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 169.748 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 18.4 tt . . . . . 0 CA--C 1.551 1.009 0 N-CA-C 113.224 0.824 . . . . 0.0 113.224 -163.943 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.8 t . . . . . 0 CA--C 1.545 0.778 0 N-CA-C 113.058 0.762 . . . . 0.0 113.058 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -170.92 138.7 1.35 Allowed 'General case' 0 N--CA 1.465 0.325 0 C-N-CA 128.306 2.643 . . . . 0.0 108.553 155.227 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 50.6 mtmt -66.23 -41.99 89.28 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-N 118.356 0.526 . . . . 0.0 111.457 179.53 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 21.7 mp0 -62.95 -38.59 91.68 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 124.724 1.209 . . . . 0.0 112.34 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 23.4 t80 -65.92 -51.21 60.56 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 124.478 1.111 . . . . 0.0 110.933 175.855 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 90.4 m -60.04 -44.96 94.31 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 123.052 0.541 . . . . 0.0 112.376 178.151 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -74.5 -23.5 58.85 Favored 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 113.763 1.023 . . . . 0.0 113.763 178.595 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -68.81 -49.36 43.0 Favored Glycine 0 CA--C 1.529 0.922 0 O-C-N 121.19 -0.944 . . . . 0.0 111.749 169.757 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -72.64 -49.06 34.39 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.09 0.956 . . . . 0.0 113.323 -177.49 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 74.2 m -141.78 157.48 44.97 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 113.999 1.111 . . . . 0.0 113.999 -163.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 84.2 mtm-85 -141.17 177.56 7.99 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 124.055 0.942 . . . . 0.0 112.441 174.694 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 93.98 123.62 3.75 Favored Glycine 0 CA--C 1.526 0.779 0 N-CA-C 107.478 -2.249 . . . . 0.0 107.478 -151.334 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -51.91 -38.16 55.23 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 123.942 0.897 . . . . 0.0 111.738 -176.696 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 46.2 t -84.36 -30.15 7.23 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 C-N-CA 124.406 1.082 . . . . 0.0 112.261 -175.409 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.5 t -63.12 -45.33 92.47 Favored 'General case' 0 N--CA 1.472 0.66 0 O-C-N 121.101 -0.999 . . . . 0.0 111.21 168.72 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 80.8 mt-30 -61.83 -35.35 77.99 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 113.257 0.836 . . . . 0.0 113.257 169.68 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -68.7 -42.77 77.28 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-N 120.047 1.294 . . . . 0.0 112.754 179.063 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -61.62 -36.15 79.92 Favored 'General case' 0 N--CA 1.468 0.469 0 O-C-N 121.675 -0.641 . . . . 0.0 111.321 172.676 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 44.0 t -71.24 -32.64 68.99 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 123.329 0.652 . . . . 0.0 112.198 177.267 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.6 mp -67.71 -25.15 65.52 Favored 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 113.363 0.875 . . . . 0.0 113.363 169.325 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 54.7 mttp -92.13 -32.82 14.99 Favored 'General case' 0 N--CA 1.48 1.029 0 N-CA-C 114.535 1.309 . . . . 0.0 114.535 177.31 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -131.35 2.58 4.22 Favored 'General case' 0 N--CA 1.478 0.953 0 N-CA-C 114.778 1.399 . . . . 0.0 114.778 -165.252 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 4.0 t 62.04 6.8 1.87 Allowed 'General case' 0 CA--C 1.552 1.031 0 C-N-CA 126.406 1.883 . . . . 0.0 115.008 -171.655 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 32.8 mttp -124.45 143.03 50.86 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 126.32 1.848 . . . . 0.0 110.759 -174.196 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 54.5 m -67.84 152.11 46.1 Favored 'General case' 0 C--N 1.322 -0.625 0 C-N-CA 123.182 0.593 . . . . 0.0 110.112 171.573 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 15.8 tt . . . . . 0 CA--C 1.542 0.667 0 CA-C-O 118.966 -0.54 . . . . 0.0 111.348 -170.746 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 7.8 t . . . . . 0 CA--C 1.537 0.449 0 N-CA-C 107.358 -1.349 . . . . 0.0 107.358 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 91.5 mmm -122.15 140.01 53.06 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.863 0.865 . . . . 0.0 108.955 134.32 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.85 -42.63 99.82 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 125.352 1.461 . . . . 0.0 112.648 -168.283 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 11.4 mp0 -72.54 -35.61 68.09 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.057 0.943 . . . . 0.0 111.3 -177.715 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 46.5 t80 -63.26 -44.28 95.58 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 123.756 0.822 . . . . 0.0 111.459 170.682 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 23.0 m -62.16 -32.44 73.06 Favored 'General case' 0 CA--C 1.539 0.52 0 N-CA-C 113.295 0.85 . . . . 0.0 113.295 177.016 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -73.41 -23.92 60.21 Favored 'General case' 0 CA--C 1.548 0.884 0 N-CA-C 113.939 1.088 . . . . 0.0 113.939 172.237 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -78.56 -28.54 55.03 Favored Glycine 0 CA--C 1.536 1.401 0 C-N-CA 124.266 0.936 . . . . 0.0 113.511 169.619 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 74.3 mm-40 -88.73 -28.25 20.65 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 125.052 1.341 . . . . 0.0 114.401 179.242 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -153.36 148.42 26.71 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 123.359 0.664 . . . . 0.0 112.51 -163.345 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 11.2 ptp180 -147.54 160.47 42.58 Favored 'General case' 0 N--CA 1.478 0.967 0 N-CA-C 114.553 1.316 . . . . 0.0 114.553 177.531 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 84.87 135.96 3.41 Favored Glycine 0 CA--C 1.535 1.328 0 N-CA-C 109.883 -1.287 . . . . 0.0 109.883 -146.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 37.4 ttpt -66.75 -29.82 69.88 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 124.136 0.975 . . . . 0.0 113.223 -173.457 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 26.1 t -75.57 -37.14 36.38 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.942 0 C-N-CA 124.926 1.291 . . . . 0.0 111.15 175.015 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -64.26 -48.26 76.43 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 125.249 1.42 . . . . 0.0 110.932 174.111 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 83.5 mt-30 -64.29 -39.31 93.67 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-O 118.68 -0.676 . . . . 0.0 112.507 171.568 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -59.16 -40.65 86.23 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 119.832 1.196 . . . . 0.0 112.23 174.438 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 40.1 t80 -60.98 -42.77 99.0 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 118.034 0.379 . . . . 0.0 111.86 171.182 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 42.5 t -67.31 -34.36 77.2 Favored 'General case' 0 CA--C 1.537 0.476 0 O-C-N 120.649 -1.282 . . . . 0.0 112.065 178.143 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 7.4 mp -68.23 -15.02 63.41 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 125.017 1.327 . . . . 0.0 113.576 172.012 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 77.0 mttt -98.86 -32.46 11.33 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 125.957 1.703 . . . . 0.0 112.701 174.027 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -132.46 -1.38 3.52 Favored 'General case' 0 N--CA 1.477 0.911 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -160.143 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 69.1 m 61.54 14.87 6.26 Favored 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 116.606 2.076 . . . . 0.0 116.606 -179.358 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 63.9 pttt -141.93 161.8 37.07 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 124.953 1.301 . . . . 0.0 111.788 170.223 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.2 t -68.36 153.61 43.41 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-O 121.985 0.898 . . . . 0.0 111.74 170.833 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 20.8 tt . . . . . 0 CA--C 1.551 1.013 0 C-N-CA 125.333 1.453 . . . . 0.0 112.895 -165.699 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.3 m . . . . . 0 CA--C 1.546 0.789 0 CA-C-O 119.66 -0.21 . . . . 0.0 110.673 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 72.2 mtm -143.95 140.16 29.51 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.251 1.02 . . . . 0.0 110.542 173.014 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 42.5 mtmt -54.21 -43.04 70.43 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 126.298 1.839 . . . . 0.0 111.542 174.885 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -59.63 -44.89 93.32 Favored 'General case' 0 N--CA 1.473 0.702 0 N-CA-C 113.477 0.917 . . . . 0.0 113.477 178.595 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 79.6 t80 -67.94 -47.1 69.62 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 123.82 0.848 . . . . 0.0 110.603 175.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 99.3 m -64.32 -33.67 76.38 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 113.784 1.031 . . . . 0.0 113.784 -178.623 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -80.41 -14.31 58.42 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 114.156 1.169 . . . . 0.0 114.156 178.608 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -86.31 -48.09 4.69 Favored Glycine 0 CA--C 1.534 1.242 0 C-N-CA 124.406 1.003 . . . . 0.0 112.048 166.546 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 75.8 mm-40 -72.85 -26.06 61.33 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 114.213 1.19 . . . . 0.0 114.213 -178.302 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -145.18 145.93 31.55 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 123.731 0.813 . . . . 0.0 112.573 -172.746 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 31.2 mmm180 -135.5 144.78 46.54 Favored 'General case' 0 N--CA 1.481 1.101 0 N-CA-C 113.979 1.103 . . . . 0.0 113.979 -168.687 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 88.54 147.69 14.98 Favored Glycine 0 CA--C 1.531 1.06 0 C-N-CA 124.395 0.998 . . . . 0.0 111.255 -164.295 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 55.0 tttm -59.74 -40.8 89.3 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.141 0.976 . . . . 0.0 112.486 -167.257 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 11.5 p -74.52 -33.39 32.55 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 C-N-CA 124.985 1.314 . . . . 0.0 113.128 -178.841 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -72.71 -47.27 48.55 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 126.095 1.758 . . . . 0.0 109.763 -178.454 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 92.6 mt-30 -55.97 -41.48 74.82 Favored 'General case' 0 CA--C 1.545 0.784 0 N-CA-C 112.508 0.559 . . . . 0.0 112.508 165.188 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -66.49 -33.13 74.99 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 124.205 1.002 . . . . 0.0 113.102 179.754 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 26.1 t80 -59.95 -46.15 90.34 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 123.551 0.741 . . . . 0.0 112.156 169.436 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 53.6 t -65.45 -28.55 69.3 Favored 'General case' 0 CA--C 1.541 0.626 0 O-C-N 121.318 -0.864 . . . . 0.0 112.094 178.92 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.3 mp -73.06 2.37 7.19 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 125.78 1.632 . . . . 0.0 114.786 169.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 79.2 mttt -125.84 -13.84 6.29 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 125.049 1.339 . . . . 0.0 114.238 168.187 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 90.1 m-70 -137.26 -2.73 2.0 Favored 'General case' 0 N--CA 1.477 0.915 0 N-CA-C 115.622 1.712 . . . . 0.0 115.622 -168.532 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 3.4 t 59.4 6.43 0.77 Allowed 'General case' 0 CA--C 1.551 0.99 0 N-CA-C 116.061 1.874 . . . . 0.0 116.061 -174.01 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.9 ptmm? -130.71 166.0 21.69 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 126.374 1.87 . . . . 0.0 112.148 -178.684 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 6.8 t -72.53 161.46 30.77 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-O 121.293 0.568 . . . . 0.0 112.494 172.209 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 20.8 tt . . . . . 0 CA--C 1.552 1.02 0 C-N-CA 127.02 2.128 . . . . 0.0 112.775 -171.318 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.2 t . . . . . 0 CA--C 1.538 0.488 0 N-CA-C 107.679 -1.23 . . . . 0.0 107.679 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 58.4 mtt -144.73 148.95 34.76 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 125.122 1.369 . . . . 0.0 107.784 147.484 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 39.5 ttpt -60.97 -43.68 98.44 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 119.199 0.909 . . . . 0.0 111.338 174.844 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 61.2 mp0 -62.85 -41.75 99.48 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 124.344 1.058 . . . . 0.0 112.496 178.858 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 65.6 t80 -60.82 -51.77 67.9 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 124.417 1.087 . . . . 0.0 110.752 174.562 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 62.7 m -65.77 -36.66 84.18 Favored 'General case' 0 CA--C 1.537 0.46 0 N-CA-C 113.585 0.957 . . . . 0.0 113.585 179.756 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.12 -36.9 80.49 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 123.713 0.805 . . . . 0.0 112.768 176.805 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -70.46 -51.79 19.69 Favored Glycine 0 CA--C 1.533 1.206 0 C-N-CA 123.689 0.662 . . . . 0.0 112.789 173.85 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 35.4 mm-40 -67.53 -39.82 85.04 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 123.987 0.915 . . . . 0.0 112.739 -176.219 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 5.6 m -127.72 153.58 46.35 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.617 1.167 . . . . 0.0 111.894 -168.52 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 15.8 ptp180 -153.34 159.25 42.44 Favored 'General case' 0 N--CA 1.479 0.987 0 N-CA-C 115.591 1.7 . . . . 0.0 115.591 178.799 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 85.74 135.24 3.65 Favored Glycine 0 CA--C 1.533 1.204 0 N-CA-C 109.035 -1.626 . . . . 0.0 109.035 -146.441 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -62.03 -37.62 85.6 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 117.866 0.833 . . . . 0.0 112.516 -171.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 48.9 t -72.27 -32.78 44.03 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 C-N-CA 124.053 0.941 . . . . 0.0 111.488 178.585 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.3 m -65.15 -42.78 93.48 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 124.595 1.158 . . . . 0.0 111.721 173.711 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 84.3 mt-30 -67.93 -41.53 82.41 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 113.072 0.767 . . . . 0.0 113.072 171.002 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -65.67 -31.23 72.13 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.643 1.177 . . . . 0.0 113.45 178.339 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 54.3 t80 -65.65 -41.64 92.34 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.686 0.795 . . . . 0.0 112.381 166.396 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 52.9 t -66.46 -30.09 70.36 Favored 'General case' 0 CA--C 1.537 0.473 0 O-C-N 121.23 -0.919 . . . . 0.0 111.244 178.385 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.3 mp -65.66 -12.28 52.15 Favored 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 114.476 1.287 . . . . 0.0 114.476 169.471 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -102.54 -28.57 12.09 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 124.833 1.253 . . . . 0.0 113.281 168.426 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 83.7 m-70 -126.71 -6.49 6.26 Favored 'General case' 0 N--CA 1.477 0.878 0 N-CA-C 116.591 2.071 . . . . 0.0 116.591 -161.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 4.5 t 56.48 11.92 0.95 Allowed 'General case' 0 CA--C 1.553 1.079 0 N-CA-C 115.189 1.551 . . . . 0.0 115.189 -169.43 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 32.7 mttp -131.79 158.19 41.89 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 126.301 1.84 . . . . 0.0 109.882 -175.402 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 48.1 m -73.43 157.62 36.53 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-O 121.64 0.733 . . . . 0.0 112.112 171.519 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 19.7 tt . . . . . 0 CA--C 1.543 0.678 0 C-N-CA 123.688 0.795 . . . . 0.0 112.879 -170.279 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.2 m . . . . . 0 CA--C 1.542 0.652 0 N-CA-C 110.204 -0.295 . . . . 0.0 110.204 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 85.7 mtp -148.23 134.98 19.95 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 126.092 1.757 . . . . 0.0 109.517 165.616 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 11.6 ptpt -68.38 -27.25 66.07 Favored 'General case' 0 N--CA 1.475 0.782 0 N-CA-C 113.909 1.077 . . . . 0.0 113.909 178.113 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 26.6 mp0 -64.03 -43.52 95.32 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 124.797 1.239 . . . . 0.0 111.963 170.328 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 18.8 t80 -70.2 -43.36 70.87 Favored 'General case' 0 N--CA 1.468 0.435 0 O-C-N 121.523 -0.736 . . . . 0.0 111.158 176.752 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 47.8 m -61.51 -36.72 81.32 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-O 118.357 -0.83 . . . . 0.0 112.984 174.9 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.21 -24.82 65.88 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 119.368 0.986 . . . . 0.0 113.099 172.455 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -74.73 -22.83 76.48 Favored Glycine 0 CA--C 1.534 1.28 0 C-N-CA 124.426 1.012 . . . . 0.0 114.182 170.572 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -99.95 -27.26 13.68 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 125.084 1.354 . . . . 0.0 114.03 179.015 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -158.13 145.38 18.04 Favored 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 113.042 0.756 . . . . 0.0 113.042 -158.084 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 9.5 ptp180 -146.96 162.6 38.41 Favored 'General case' 0 N--CA 1.476 0.827 0 N-CA-C 114.115 1.154 . . . . 0.0 114.115 174.684 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 90.93 144.87 13.05 Favored Glycine 0 CA--C 1.534 1.228 0 N-CA-C 110.472 -1.051 . . . . 0.0 110.472 -155.401 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 36.5 ttpt -56.23 -49.39 74.26 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 125.249 1.419 . . . . 0.0 112.117 -172.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 23.9 t -77.29 -33.47 19.97 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 C-N-CA 125.414 1.486 . . . . 0.0 111.291 -174.069 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.1 m -62.45 -49.41 75.55 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 125.347 1.459 . . . . 0.0 111.436 172.902 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -67.36 -37.38 83.12 Favored 'General case' 0 N--CA 1.468 0.449 0 N-CA-C 113.177 0.806 . . . . 0.0 113.177 172.763 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -59.79 -40.84 89.65 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 123.683 0.793 . . . . 0.0 112.022 174.849 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 34.1 t80 -60.8 -38.76 86.46 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 123.166 0.586 . . . . 0.0 112.193 170.907 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 35.0 t -70.11 -30.61 67.85 Favored 'General case' 0 CA--C 1.537 0.48 0 O-C-N 120.378 -1.451 . . . . 0.0 112.191 177.098 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 7.2 mp -76.3 1.0 17.32 Favored 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 114.405 1.261 . . . . 0.0 114.405 169.51 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 70.2 mttt -110.24 -21.07 12.42 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 126.148 1.779 . . . . 0.0 113.588 169.313 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 -144.45 -1.94 0.89 Allowed 'General case' 0 N--CA 1.48 1.059 0 N-CA-C 116.369 1.989 . . . . 0.0 116.369 -163.816 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 34.7 m 61.02 19.9 10.35 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 126.998 2.119 . . . . 0.0 116.395 -177.592 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 16.4 ptpt -150.79 162.61 40.41 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 126.789 2.036 . . . . 0.0 112.752 -177.533 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.7 t -75.0 155.43 37.34 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-O 122.403 1.097 . . . . 0.0 112.784 178.559 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 20.5 tt . . . . . 0 CA--C 1.547 0.854 0 C-N-CA 125.322 1.449 . . . . 0.0 113.137 -168.327 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 7.4 t . . . . . 0 CA--C 1.537 0.462 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 67.7 mtm -138.58 126.53 22.49 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 125.156 1.382 . . . . 0.0 108.712 164.235 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 25.2 ttpt -68.06 -26.58 65.93 Favored 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 114.359 1.244 . . . . 0.0 114.359 -165.414 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -81.77 -29.3 32.84 Favored 'General case' 0 N--CA 1.476 0.851 0 CA-C-N 119.282 0.946 . . . . 0.0 113.46 172.292 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 68.6 t80 -66.78 -41.69 87.25 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 124.083 0.953 . . . . 0.0 111.386 -179.185 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 96.3 m -72.52 -44.67 61.86 Favored 'General case' 0 CA--C 1.541 0.623 0 O-C-N 121.573 -0.704 . . . . 0.0 112.434 174.57 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.95 -29.33 69.72 Favored 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 114.068 1.136 . . . . 0.0 114.068 -178.71 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -77.84 -46.16 9.85 Favored Glycine 0 CA--C 1.528 0.898 0 C-N-CA 123.873 0.749 . . . . 0.0 113.448 176.121 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -70.99 -49.92 39.94 Favored 'General case' 0 CA--C 1.537 0.46 0 N-CA-C 113.506 0.928 . . . . 0.0 113.506 -175.87 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 74.6 m -130.72 157.89 41.58 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 124.698 1.199 . . . . 0.0 111.698 -164.36 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 69.4 mtt180 -144.69 166.94 23.77 Favored 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 113.775 1.028 . . . . 0.0 113.775 -175.768 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 90.4 128.09 3.68 Favored Glycine 0 CA--C 1.531 1.055 0 N-CA-C 107.763 -2.135 . . . . 0.0 107.763 -147.768 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 67.5 tttt -68.99 -23.03 64.06 Favored 'General case' 0 N--CA 1.472 0.645 0 O-C-N 121.953 -0.733 . . . . 0.0 112.329 -171.489 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 10.9 t -89.1 -28.31 5.23 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 C-N-CA 126.037 1.735 . . . . 0.0 111.383 174.442 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 16.1 t -61.14 -49.13 78.49 Favored 'General case' 0 N--CA 1.48 1.04 0 CA-C-N 119.653 1.115 . . . . 0.0 110.561 165.698 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 82.3 mt-30 -59.57 -42.38 92.32 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 123.392 0.677 . . . . 0.0 112.771 171.887 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -62.58 -39.84 95.0 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 113.549 0.944 . . . . 0.0 113.549 174.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 55.8 t80 -66.71 -36.66 83.0 Favored 'General case' 0 CA--C 1.536 0.438 0 O-C-N 121.337 -0.852 . . . . 0.0 111.147 176.46 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 43.7 t -69.73 -32.22 70.65 Favored 'General case' 0 CA--C 1.535 0.39 0 N-CA-C 112.604 0.594 . . . . 0.0 112.604 172.599 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.9 mp -62.34 -48.24 80.7 Favored 'General case' 0 CA--C 1.543 0.696 0 O-C-N 120.707 -1.246 . . . . 0.0 111.081 167.035 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 60.2 mttp -68.67 -31.78 71.14 Favored 'General case' 0 N--CA 1.476 0.868 0 N-CA-C 114.939 1.459 . . . . 0.0 114.939 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 94.3 m-70 -133.93 3.62 3.48 Favored 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 115.569 1.692 . . . . 0.0 115.569 -166.551 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . 0.254 1.8 t 54.94 11.25 0.46 Allowed 'General case' 0 N--CA 1.481 1.112 0 N-CA-C 116.683 2.105 . . . . 0.0 116.683 -177.23 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 9.4 ptpp? -132.5 151.32 51.95 Favored 'General case' 0 N--CA 1.466 0.327 0 C-N-CA 127.854 2.462 . . . . 0.0 109.212 174.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 70.0 m -75.82 159.49 30.95 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-O 121.16 0.505 . . . . 0.0 112.271 -177.845 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 15.9 tt . . . . . 0 CA--C 1.551 0.992 0 C-N-CA 124.97 1.308 . . . . 0.0 112.452 -171.635 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 6.0 t . . . . . 0 CA--C 1.541 0.614 0 CA-C-O 120.694 0.283 . . . . 0.0 111.661 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 71.3 mtp -151.8 129.41 11.49 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 127.238 2.215 . . . . 0.0 107.209 163.919 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 30.6 mtmm -68.0 -39.39 83.24 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 124.695 1.198 . . . . 0.0 112.698 -174.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -67.89 -45.77 73.51 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 123.676 0.79 . . . . 0.0 111.302 177.716 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 81.2 t80 -56.15 -53.55 55.71 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.556 1.142 . . . . 0.0 111.365 172.426 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 23.3 m -61.38 -32.07 71.98 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-O 118.111 -0.947 . . . . 0.0 113.088 -179.138 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.16 -31.35 69.95 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-N 120.026 1.285 . . . . 0.0 113.042 174.671 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -81.22 -25.49 54.86 Favored Glycine 0 CA--C 1.532 1.118 0 O-C-N 121.57 -0.706 . . . . 0.0 114.339 175.104 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 97.3 mm-40 -81.82 -48.01 12.12 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 117.817 0.809 . . . . 0.0 111.465 172.678 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 20.4 m -131.6 144.71 51.26 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 125.397 1.479 . . . . 0.0 111.746 -158.336 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 27.5 mmm180 -135.07 153.59 51.99 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 113.044 0.757 . . . . 0.0 113.044 -170.102 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 74.75 149.84 2.03 Favored Glycine 0 CA--C 1.532 1.118 0 CA-C-N 115.525 -0.761 . . . . 0.0 111.33 -162.529 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 53.7 tptt -55.42 -39.35 70.14 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 125.522 1.529 . . . . 0.0 112.473 -176.215 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 5.3 p -78.73 -34.29 17.32 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 N-CA-C 113.495 0.924 . . . . 0.0 113.495 -174.069 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.4 t -72.63 -42.26 64.62 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 118.372 0.533 . . . . 0.0 111.119 172.532 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -59.27 -42.2 90.68 Favored 'General case' 0 CA--C 1.546 0.816 0 N-CA-C 113.099 0.777 . . . . 0.0 113.099 168.355 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -62.99 -39.8 95.82 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.595 1.158 . . . . 0.0 112.334 175.779 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 17.8 t80 -62.44 -44.01 97.45 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 122.779 0.431 . . . . 0.0 112.056 171.226 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 36.6 t -64.73 -24.67 67.64 Favored 'General case' 0 N--CA 1.471 0.593 0 O-C-N 121.315 -0.865 . . . . 0.0 112.243 177.652 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.0 mp -81.17 -2.04 46.98 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 125.573 1.549 . . . . 0.0 114.754 172.621 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 51.0 mtmt -122.36 -19.48 6.43 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 125.434 1.493 . . . . 0.0 114.06 172.761 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 79.7 m-70 -137.69 1.87 2.37 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 125.33 1.452 . . . . 0.0 114.207 -169.393 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 4.2 t 45.55 35.57 2.11 Favored 'General case' 0 CA--C 1.548 0.901 0 N-CA-C 116.204 1.928 . . . . 0.0 116.204 -177.5 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 6.5 ptpp? -151.71 165.3 34.83 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 126.638 1.975 . . . . 0.0 110.477 173.331 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 29.7 m -76.33 148.18 37.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 117.603 0.183 . . . . 0.0 111.462 176.3 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 18.7 tt . . . . . 0 CA--C 1.546 0.806 0 C-N-CA 124.137 0.975 . . . . 0.0 113.174 -169.574 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.2 m . . . . . 0 CA--C 1.543 0.688 0 CA-C-O 119.345 -0.36 . . . . 0.0 110.12 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 98.1 mtp -148.5 137.31 21.58 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 119.337 0.971 . . . . 0.0 110.942 173.107 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 45.2 mtmt -56.98 -45.34 82.98 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 125.206 1.402 . . . . 0.0 111.866 178.785 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 26.9 mp0 -69.45 -42.65 74.65 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 124.259 1.024 . . . . 0.0 111.288 -175.303 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 83.2 t80 -61.66 -50.37 72.8 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 124.603 1.161 . . . . 0.0 111.05 175.915 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 50.9 m -63.26 -34.18 77.1 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.101 0.96 . . . . 0.0 112.974 178.472 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.35 -19.76 63.02 Favored 'General case' 0 CA--C 1.546 0.798 0 N-CA-C 113.597 0.962 . . . . 0.0 113.597 176.124 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -87.11 -34.36 10.87 Favored Glycine 0 CA--C 1.535 1.334 0 C-N-CA 124.856 1.217 . . . . 0.0 113.063 168.884 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 15.3 mm-40 -71.08 -38.05 72.45 Favored 'General case' 0 CA--C 1.538 0.511 0 O-C-N 121.504 -0.998 . . . . 0.0 112.984 176.391 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.407 ' SG ' ' HB3' ' A' ' 18' ' ' SER . 0.1 OUTLIER -150.63 150.79 31.6 Favored 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 113.161 0.8 . . . . 0.0 113.161 -160.287 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 10.7 ptp85 -144.05 152.05 40.48 Favored 'General case' 0 N--CA 1.482 1.155 0 N-CA-C 115.162 1.541 . . . . 0.0 115.162 -179.232 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 92.28 143.99 13.25 Favored Glycine 0 CA--C 1.535 1.34 0 C-N-CA 124.928 1.251 . . . . 0.0 110.028 -157.336 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 30.7 mmmt -63.66 -36.04 82.53 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 118.019 0.91 . . . . 0.0 112.533 -170.676 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 14.2 t -79.08 -34.23 16.46 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 C-N-CA 124.513 1.125 . . . . 0.0 110.933 178.885 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.407 ' HB3' ' SG ' ' A' ' 13' ' ' CYS . 2.7 m -62.89 -46.78 86.25 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 124.083 0.953 . . . . 0.0 111.308 172.764 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -65.77 -38.97 90.49 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 113.512 0.93 . . . . 0.0 113.512 169.848 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -59.22 -41.25 88.18 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 120.123 1.328 . . . . 0.0 110.749 174.618 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 16.1 t80 -58.6 -39.04 79.29 Favored 'General case' 0 CA--C 1.538 0.51 0 O-C-N 121.472 -0.768 . . . . 0.0 112.253 174.279 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 35.1 t -72.5 -30.9 64.92 Favored 'General case' 0 CA--C 1.538 0.495 0 O-C-N 121.148 -0.97 . . . . 0.0 112.503 175.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 7.0 mp -74.57 -14.65 60.82 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 124.9 1.28 . . . . 0.0 113.854 170.165 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 47.1 mmtm -91.57 -31.03 16.07 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 125.26 1.424 . . . . 0.0 112.736 167.421 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.412 ' O ' ' HE3' ' A' ' 27' ' ' LYS . 98.5 m-70 -137.24 3.06 2.58 Favored 'General case' 0 N--CA 1.482 1.138 0 N-CA-C 117.274 2.324 . . . . 0.0 117.274 -162.264 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 68.5 m 58.05 18.79 5.43 Favored 'General case' 0 CA--C 1.552 1.029 0 CA-C-N 121.924 2.147 . . . . 0.0 115.755 -176.786 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.412 ' HE3' ' O ' ' A' ' 25' ' ' HIS . 10.2 ptpt -146.2 156.36 43.35 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 126.845 2.058 . . . . 0.0 111.557 -179.011 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 19.7 t -73.17 162.15 29.75 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-O 121.972 0.892 . . . . 0.0 111.946 176.915 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 16.9 tt . . . . . 0 CA--C 1.548 0.903 0 C-N-CA 124.319 1.048 . . . . 0.0 111.87 -176.12 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.3 m . . . . . 0 CA--C 1.545 0.786 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 67.0 mtm -150.6 144.82 25.51 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 124.867 1.267 . . . . 0.0 110.953 165.484 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -57.1 -45.17 83.6 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.297 1.039 . . . . 0.0 111.208 167.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -62.47 -32.99 73.97 Favored 'General case' 0 N--CA 1.477 0.912 0 N-CA-C 114.509 1.3 . . . . 0.0 114.509 -175.908 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 45.5 t80 -75.3 -53.81 8.14 Favored 'General case' 0 C--O 1.237 0.446 0 C-N-CA 123.486 0.715 . . . . 0.0 110.624 173.923 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -68.75 -20.51 64.37 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-O 117.875 -1.06 . . . . 0.0 113.44 -174.599 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.31 -17.73 55.1 Favored 'General case' 0 CA--C 1.546 0.817 0 CA-C-N 120.233 1.379 . . . . 0.0 113.875 171.258 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -90.19 -11.55 62.81 Favored Glycine 0 CA--C 1.54 1.62 0 CA-C-N 119.296 0.953 . . . . 0.0 114.895 170.84 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 72.7 mm-40 -116.27 -45.82 2.82 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-N 118.949 1.374 . . . . 0.0 112.608 -172.083 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 14.5 m -127.47 135.65 50.69 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 127.009 2.124 . . . . 0.0 110.044 -165.457 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 77.1 mtt85 -137.26 158.4 44.5 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 115.371 1.619 . . . . 0.0 115.371 -171.827 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 77.06 149.38 3.27 Favored Glycine 0 CA--C 1.532 1.115 0 CA-C-N 114.664 -1.153 . . . . 0.0 111.121 -160.489 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 39.5 ttmt -55.71 -34.45 65.12 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 124.922 1.289 . . . . 0.0 112.748 -174.443 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 47.2 t -81.15 -38.41 16.62 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 C-N-CA 124.233 1.013 . . . . 0.0 113.068 -173.292 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 10.8 t -67.95 -43.69 78.51 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 123.884 0.874 . . . . 0.0 110.944 172.085 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -61.89 -37.37 84.32 Favored 'General case' 0 CA--C 1.549 0.934 0 N-CA-C 113.496 0.925 . . . . 0.0 113.496 168.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -67.21 -35.42 79.57 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-N 119.86 1.209 . . . . 0.0 112.397 174.386 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 51.5 t80 -64.47 -39.8 94.48 Favored 'General case' 0 N--CA 1.47 0.568 0 O-C-N 121.276 -0.89 . . . . 0.0 112.024 168.376 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 41.3 t -62.79 -34.47 77.33 Favored 'General case' 0 N--CA 1.473 0.724 0 O-C-N 121.199 -0.938 . . . . 0.0 111.609 175.593 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.4 mp -67.67 -6.44 20.62 Favored 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 115.111 1.523 . . . . 0.0 115.111 172.78 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 11.0 mttm -115.04 -23.36 9.09 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 124.87 1.268 . . . . 0.0 112.43 172.112 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 53.4 m80 -140.86 2.05 1.73 Allowed 'General case' 0 CA--C 1.545 0.773 0 N-CA-C 117.037 2.236 . . . . 0.0 117.037 -163.843 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 73.2 m 55.39 15.46 1.41 Allowed 'General case' 0 CA--C 1.556 1.176 0 N-CA-C 116.68 2.104 . . . . 0.0 116.68 178.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -130.66 168.13 17.64 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 127.935 2.494 . . . . 0.0 110.24 175.248 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 21.7 m -73.59 167.63 20.94 Favored 'General case' 0 CA--C 1.543 0.695 0 O-C-N 122.342 -0.224 . . . . 0.0 110.966 167.879 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 19.9 tt . . . . . 0 CA--C 1.549 0.934 0 CA-C-O 118.116 -0.945 . . . . 0.0 112.239 -177.14 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 1.002 0 N-CA-C 110.781 -0.928 . . . . 0.0 110.781 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 79.9 p -74.42 -1.28 20.41 Favored 'General case' 0 N--CA 1.477 0.911 0 N-CA-C 115.766 1.765 . . . . 0.0 115.766 178.046 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 95.53 105.71 2.1 Favored Glycine 0 CA--C 1.532 1.148 0 C-N-CA 125.673 1.606 . . . . 0.0 110.756 -167.156 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -58.78 -59.04 6.06 Favored 'General case' 0 CA--C 1.546 0.812 0 O-C-N 119.704 -2.056 . . . . 0.0 107.634 -45.304 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 50.5 mtt -138.25 143.41 40.08 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.493 1.517 . . . . 0.0 107.412 145.722 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 32.6 ttpt -65.81 -23.54 66.72 Favored 'General case' 0 N--CA 1.481 1.095 0 CA-C-N 119.776 1.171 . . . . 0.0 113.039 -178.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 24.1 mp0 -68.6 -57.28 5.96 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.802 1.641 . . . . 0.0 110.843 170.51 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 67.4 t80 -53.33 -47.35 69.38 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 125.119 1.368 . . . . 0.0 111.831 177.021 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 80.7 m -63.5 -32.45 73.9 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-O 117.98 -1.01 . . . . 0.0 113.285 -176.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -82.72 -23.9 33.84 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 120.223 1.374 . . . . 0.0 113.697 173.199 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -75.75 -10.39 84.89 Favored Glycine 0 CA--C 1.536 1.404 0 C-N-CA 125.384 1.468 . . . . 0.0 114.834 171.322 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 64.8 mm-40 -122.16 -39.43 2.59 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-N 118.786 1.293 . . . . 0.0 114.09 178.354 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.422 ' SG ' ' HB3' ' A' ' 18' ' ' SER . 10.4 t -129.61 153.72 47.8 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.561 1.145 . . . . 0.0 111.652 -169.312 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 28.6 mmm180 -132.77 138.48 47.17 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 116.04 1.867 . . . . 0.0 116.04 -164.297 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 88.65 153.69 27.23 Favored Glycine 0 CA--C 1.531 1.033 0 C-N-CA 124.985 1.279 . . . . 0.0 111.942 -173.012 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -57.5 -43.14 83.94 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.974 1.31 . . . . 0.0 112.027 -167.445 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 39.7 t -80.77 -35.37 14.73 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 C-N-CA 124.754 1.222 . . . . 0.0 111.505 -173.827 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.422 ' HB3' ' SG ' ' A' ' 13' ' ' CYS . 1.5 m -65.03 -49.87 68.45 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 124.713 1.205 . . . . 0.0 111.107 173.171 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 81.5 mt-30 -58.61 -39.08 79.42 Favored 'General case' 0 CA--C 1.549 0.928 0 N-CA-C 112.965 0.728 . . . . 0.0 112.965 169.274 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -64.92 -36.16 83.47 Favored 'General case' 0 CA--C 1.541 0.621 0 O-C-N 120.54 -1.35 . . . . 0.0 112.72 174.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 18.8 t80 -62.36 -38.33 89.13 Favored 'General case' 0 CA--C 1.538 0.486 0 O-C-N 121.537 -0.727 . . . . 0.0 111.379 171.573 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 41.1 t -67.92 -33.46 74.72 Favored 'General case' 0 CA--C 1.542 0.649 0 O-C-N 121.268 -0.895 . . . . 0.0 112.42 175.752 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.3 mp -62.97 -20.36 65.18 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.329 1.452 . . . . 0.0 114.581 170.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 54.0 mttp -103.06 -35.61 8.46 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 126.053 1.741 . . . . 0.0 112.967 179.042 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -128.88 2.24 5.36 Favored 'General case' 0 N--CA 1.477 0.92 0 N-CA-C 114.755 1.391 . . . . 0.0 114.755 -163.032 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 91.2 m 53.69 27.03 6.4 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 125.563 1.545 . . . . 0.0 114.621 -177.535 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.3 ptmm? -148.16 164.97 32.3 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 125.976 1.71 . . . . 0.0 111.32 178.548 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.8 t -73.6 159.29 33.31 Favored 'General case' 0 CA--C 1.542 0.662 0 CA-C-O 121.449 0.642 . . . . 0.0 111.815 172.41 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 19.4 tt -77.88 137.15 62.06 Favored Pre-proline 0 CA--C 1.544 0.744 0 C-N-CA 124.546 1.138 . . . . 0.0 111.558 -172.488 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_endo -72.87 165.8 31.78 Favored 'Trans proline' 0 CA--C 1.543 0.959 0 C-N-CA 122.883 2.389 . . . . 0.0 113.097 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 31.1 mmt180 . . . . . 0 C--O 1.257 1.469 0 C-N-CA 126.171 1.788 . . . . 0.0 111.358 -179.846 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.329 0 N-CA-C 110.545 -1.022 . . . . 0.0 110.545 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.1 p -108.78 155.22 21.02 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.753 1.221 . . . . 0.0 111.673 164.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -132.92 -66.73 0.08 OUTLIER Glycine 0 N--CA 1.467 0.76 0 C-N-CA 128.903 3.144 . . . . 0.0 110.831 -1.074 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 23.4 t -142.76 -101.68 0.13 Allowed 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 126.144 1.778 . . . . 0.0 107.104 171.136 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 64.9 mtt -150.67 138.34 19.78 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 126.953 2.101 . . . . 0.0 108.043 160.258 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 30.3 ttmt -60.61 -45.54 93.65 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.253 1.021 . . . . 0.0 113.221 -171.668 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 80.1 mt-10 -70.94 -42.76 69.39 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.62 1.168 . . . . 0.0 111.49 -177.713 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 66.2 t80 -58.41 -43.24 88.54 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 125.281 1.432 . . . . 0.0 111.682 176.51 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 52.6 m -65.76 -43.68 88.17 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 124.339 1.056 . . . . 0.0 112.557 176.622 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.46 -26.73 68.67 Favored 'General case' 0 CA--C 1.547 0.83 0 CA-C-N 118.505 0.593 . . . . 0.0 112.094 170.158 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -75.08 -8.85 83.7 Favored Glycine 0 CA--C 1.539 1.561 0 C-N-CA 125.104 1.335 . . . . 0.0 116.074 172.047 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -132.27 -9.89 3.31 Favored 'General case' 0 N--CA 1.481 1.078 0 N-CA-C 116.894 2.183 . . . . 0.0 116.894 176.129 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -145.96 155.17 42.66 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-N 120.251 1.387 . . . . 0.0 111.714 -175.819 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 9.7 ptp180 -153.77 148.75 26.71 Favored 'General case' 0 N--CA 1.482 1.159 0 N-CA-C 115.739 1.755 . . . . 0.0 115.739 -174.307 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 90.66 140.29 8.51 Favored Glycine 0 CA--C 1.534 1.23 0 N-CA-C 109.465 -1.454 . . . . 0.0 109.465 -153.215 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.4 tmtm? -66.84 -35.14 79.36 Favored 'General case' 0 N--CA 1.477 0.914 0 CA-C-N 118.414 1.107 . . . . 0.0 112.4 -169.239 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.7 p -71.96 -31.76 41.68 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 C-N-CA 123.728 0.811 . . . . 0.0 112.564 175.154 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.8 m -72.55 -45.45 59.23 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 125.855 1.662 . . . . 0.0 110.429 178.478 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 79.7 mt-30 -63.74 -35.31 80.15 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 123.631 0.772 . . . . 0.0 112.307 168.46 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -64.15 -39.89 94.97 Favored 'General case' 0 N--CA 1.474 0.757 0 O-C-N 120.956 -1.09 . . . . 0.0 112.3 172.412 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 10.0 t80 -56.14 -37.99 70.22 Favored 'General case' 0 N--CA 1.47 0.527 0 O-C-N 121.436 -0.79 . . . . 0.0 111.642 170.565 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 49.8 t -71.09 -33.18 69.94 Favored 'General case' 0 CA--C 1.539 0.55 0 O-C-N 120.632 -1.293 . . . . 0.0 112.44 177.56 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 7.6 mp -70.9 -18.7 62.66 Favored 'General case' 0 CA--C 1.546 0.818 0 N-CA-C 114.327 1.232 . . . . 0.0 114.327 169.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 56.9 mttp -101.93 -16.83 16.4 Favored 'General case' 0 N--CA 1.48 1.032 0 N-CA-C 115.026 1.491 . . . . 0.0 115.026 175.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 68.2 m-70 -139.67 -10.12 1.21 Allowed 'General case' 0 N--CA 1.479 0.989 0 N-CA-C 115.567 1.692 . . . . 0.0 115.567 -170.15 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . 0.25 2.8 t 54.55 34.9 22.23 Favored 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 125.72 1.608 . . . . 0.0 113.875 -171.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 46.9 mttp -143.99 159.26 42.9 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 129.222 3.009 . . . . 0.0 109.814 -178.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 10.8 t -76.77 161.83 28.16 Favored 'General case' 0 CA--C 1.545 0.753 0 CA-C-O 121.949 0.88 . . . . 0.0 111.42 164.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 19.1 tt -75.13 146.64 82.33 Favored Pre-proline 0 CA--C 1.545 0.775 0 C-N-CA 125.509 1.524 . . . . 0.0 112.076 -173.323 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -96.18 159.04 1.34 Allowed 'Trans proline' 0 CA--C 1.539 0.759 0 C-N-CA 123.346 2.697 . . . . 0.0 112.926 170.71 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 64.9 mtp180 . . . . . 0 C--O 1.254 1.332 0 C-N-CA 125.814 1.646 . . . . 0.0 111.466 166.853 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.048 0 N-CA-C 111.409 -0.676 . . . . 0.0 111.409 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 61.6 p -131.67 -7.45 3.63 Favored 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 114.451 1.278 . . . . 0.0 114.451 175.144 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -161.54 164.72 35.25 Favored Glycine 0 CA--C 1.531 1.088 0 C-N-CA 124.347 0.975 . . . . 0.0 113.316 166.445 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 7.1 t -127.86 -83.15 0.6 Allowed 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 124.835 1.254 . . . . 0.0 109.398 169.149 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 83.7 mtp -142.54 130.77 22.1 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 125.22 1.408 . . . . 0.0 108.372 157.206 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 21.8 ttpp -66.95 -34.72 78.4 Favored 'General case' 0 N--CA 1.472 0.628 0 O-C-N 121.635 -0.666 . . . . 0.0 112.648 -174.506 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -69.89 -30.99 68.57 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 113.169 0.803 . . . . 0.0 113.169 177.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 92.7 t80 -67.5 -53.3 29.85 Favored 'General case' 0 CA--C 1.531 0.23 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 169.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 84.7 m -65.03 -38.89 92.38 Favored 'General case' 0 CA--C 1.535 0.383 0 N-CA-C 114.255 1.205 . . . . 0.0 114.255 -175.489 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -74.49 -19.16 60.48 Favored 'General case' 0 CA--C 1.54 0.575 0 N-CA-C 113.468 0.914 . . . . 0.0 113.468 174.765 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -81.93 -49.88 5.15 Favored Glycine 0 CA--C 1.529 0.949 0 C-N-CA 123.58 0.609 . . . . 0.0 112.348 174.031 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 10.8 mm100 -83.95 -18.36 37.53 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 125.037 1.335 . . . . 0.0 114.448 -175.033 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.7 t -139.26 148.69 43.38 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 124.551 1.14 . . . . 0.0 111.782 -173.399 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.82 151.35 41.06 Favored 'General case' 0 N--CA 1.479 1.013 0 N-CA-C 113.734 1.013 . . . . 0.0 113.734 -171.136 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 89.09 139.49 7.13 Favored Glycine 0 CA--C 1.533 1.194 0 C-N-CA 124.919 1.247 . . . . 0.0 110.171 -157.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 58.1 tttm -60.33 -39.05 85.71 Favored 'General case' 0 N--CA 1.479 0.994 0 CA-C-N 118.159 0.979 . . . . 0.0 112.224 -169.534 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 38.7 t -83.31 -26.56 7.77 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.502 0 C-N-CA 123.95 0.9 . . . . 0.0 111.852 -177.625 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.3 m -65.51 -49.04 70.46 Favored 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 124.543 1.137 . . . . 0.0 111.203 168.463 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -58.31 -40.34 81.77 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 122.861 0.464 . . . . 0.0 112.053 171.354 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -65.63 -39.47 91.49 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 112.96 0.726 . . . . 0.0 112.96 174.603 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 23.2 t80 -57.44 -35.68 70.42 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 120.006 1.275 . . . . 0.0 111.538 173.853 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 44.8 t -73.63 -31.34 63.47 Favored 'General case' 0 CA--C 1.535 0.375 0 O-C-N 121.492 -0.755 . . . . 0.0 112.378 176.418 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 6.7 mp -63.25 -44.77 94.26 Favored 'General case' 0 CA--C 1.544 0.712 0 O-C-N 120.912 -1.118 . . . . 0.0 111.121 165.744 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 48.4 mmtm -65.12 -35.82 82.32 Favored 'General case' 0 N--CA 1.474 0.755 0 O-C-N 121.033 -1.042 . . . . 0.0 113.715 178.014 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 89.7 m-70 -133.83 -4.43 2.84 Favored 'General case' 0 N--CA 1.484 1.232 0 N-CA-C 116.596 2.072 . . . . 0.0 116.596 -163.429 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . 0.268 1.8 t 50.71 36.07 13.33 Favored 'General case' 0 CA--C 1.552 1.037 0 N-CA-C 115.659 1.726 . . . . 0.0 115.659 -171.068 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.4 ptpt -145.22 158.0 43.93 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 127.013 2.125 . . . . 0.0 110.128 167.59 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 9.0 t -71.13 161.14 31.61 Favored 'General case' 0 CA--C 1.544 0.717 0 CA-C-O 121.413 0.625 . . . . 0.0 111.793 170.122 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 20.7 tt -77.78 144.02 68.02 Favored Pre-proline 0 CA--C 1.548 0.891 0 C-N-CA 125.195 1.398 . . . . 0.0 112.853 -169.482 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -63.35 169.38 9.62 Favored 'Trans proline' 0 CA--C 1.54 0.794 0 C-N-CA 123.343 2.695 . . . . 0.0 114.458 171.475 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 44.0 ttp180 . . . . . 0 C--O 1.253 1.258 0 C-N-CA 126.438 1.895 . . . . 0.0 112.989 174.101 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.205 0 N-CA-C 111.504 -0.638 . . . . 0.0 111.504 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 74.9 m -122.04 153.38 38.69 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 126.048 1.739 . . . . 0.0 112.203 -178.718 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 81.56 -171.8 53.1 Favored Glycine 0 CA--C 1.536 1.387 0 O-C-N 121.587 -0.696 . . . . 0.0 114.707 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 18.0 t -122.04 -77.36 0.59 Allowed 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 124.011 0.925 . . . . 0.0 110.95 170.333 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 94.3 mtp -139.41 115.31 10.19 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 126.476 1.91 . . . . 0.0 107.858 168.078 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 27.8 ttpp -57.43 -43.6 83.99 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 125.329 1.451 . . . . 0.0 112.938 -171.237 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -72.84 -42.69 63.5 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.382 0.673 . . . . 0.0 111.372 -176.638 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 79.0 t80 -56.38 -51.83 66.86 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 124.95 1.3 . . . . 0.0 111.128 176.273 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 66.9 m -67.48 -38.04 83.78 Favored 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 112.858 0.688 . . . . 0.0 112.858 -179.347 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.65 -26.41 65.31 Favored 'General case' 0 CA--C 1.547 0.854 0 N-CA-C 113.766 1.024 . . . . 0.0 113.766 175.77 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -94.14 -39.54 4.8 Favored Glycine 0 CA--C 1.534 1.263 0 C-N-CA 124.994 1.283 . . . . 0.0 114.963 -176.676 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 97.2 mm-40 -87.79 -18.47 29.29 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-N 119.106 1.453 . . . . 0.0 113.674 178.168 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.7 t -128.82 146.84 50.81 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.87 1.268 . . . . 0.0 111.923 -178.444 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 14.4 mmt85 -141.8 148.58 39.12 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 114.655 1.354 . . . . 0.0 114.655 -171.346 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 88.15 144.15 9.43 Favored Glycine 0 CA--C 1.531 1.078 0 N-CA-C 110.022 -1.231 . . . . 0.0 110.022 -159.486 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 26.8 tptp -53.98 -47.52 71.31 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 125.46 1.504 . . . . 0.0 112.412 -175.01 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 21.8 t -78.0 -33.62 18.49 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.574 0 C-N-CA 125.391 1.476 . . . . 0.0 111.097 -174.278 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.8 m -62.62 -50.33 71.67 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 124.381 1.072 . . . . 0.0 111.496 171.032 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -59.16 -41.77 89.14 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 112.438 0.532 . . . . 0.0 112.438 172.356 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -64.4 -39.82 94.6 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.334 0.653 . . . . 0.0 112.472 177.056 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 23.3 t80 -55.19 -39.06 69.16 Favored 'General case' 0 N--CA 1.474 0.756 0 O-C-N 121.263 -0.898 . . . . 0.0 111.442 170.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 43.0 t -73.38 -29.57 62.7 Favored 'General case' 0 CA--C 1.534 0.337 0 O-C-N 121.421 -0.8 . . . . 0.0 112.486 177.248 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.5 mp -67.37 -39.01 85.64 Favored 'General case' 0 CA--C 1.546 0.8 0 O-C-N 120.624 -1.298 . . . . 0.0 111.793 168.688 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 40.5 mmtm -71.24 -36.69 71.88 Favored 'General case' 0 N--CA 1.481 1.093 0 O-C-N 120.705 -1.247 . . . . 0.0 113.858 174.234 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 80.5 m-70 -126.26 -5.1 6.67 Favored 'General case' 0 N--CA 1.478 0.945 0 N-CA-C 114.99 1.478 . . . . 0.0 114.99 -161.606 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 2.0 t 54.76 16.28 1.36 Allowed 'General case' 0 CA--C 1.55 0.979 0 N-CA-C 116.409 2.003 . . . . 0.0 116.409 -171.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.0 ptpp? -131.51 156.97 44.77 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 126.993 2.117 . . . . 0.0 110.692 172.578 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 15.5 t -75.45 165.24 25.42 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-O 122.258 1.028 . . . . 0.0 111.522 174.394 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 19.1 tt -83.03 155.98 67.23 Favored Pre-proline 0 CA--C 1.549 0.922 0 C-N-CA 125.495 1.518 . . . . 0.0 113.235 -165.062 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -69.15 30.32 0.17 Allowed 'Trans proline' 0 CA--C 1.547 1.126 1 C-N-CA 125.398 4.065 . . . . 0.0 116.064 167.414 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 78.7 mtt180 . . . . . 0 C--O 1.252 1.231 0 C-N-CA 126.29 1.836 . . . . 0.0 109.489 -174.916 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.423 0 N-CA-C 111.475 -0.65 . . . . 0.0 111.475 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 91.6 p -75.9 2.13 13.3 Favored 'General case' 0 N--CA 1.481 1.117 0 N-CA-C 115.492 1.664 . . . . 0.0 115.492 -174.123 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 99.11 101.08 2.27 Favored Glycine 0 CA--C 1.531 1.043 0 C-N-CA 126.578 2.037 . . . . 0.0 111.694 -176.547 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 6.8 t -57.55 -51.45 69.43 Favored 'General case' 0 CA--C 1.543 0.71 0 O-C-N 119.14 -2.388 . . . . 0.0 108.571 -40.815 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 64.5 mtt -136.18 135.16 38.92 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.743 1.217 . . . . 0.0 107.845 139.412 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 25.4 ttpp -59.23 -43.14 92.34 Favored 'General case' 0 N--CA 1.479 0.988 0 CA-C-N 119.345 0.975 . . . . 0.0 113.518 -172.378 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 6.7 mp0 -65.88 -45.95 80.18 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 123.329 0.652 . . . . 0.0 111.598 177.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 81.0 t80 -60.18 -43.36 95.93 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.643 1.177 . . . . 0.0 111.969 177.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 17.3 m -59.18 -25.99 64.41 Favored 'General case' 0 CA--C 1.538 0.486 0 N-CA-C 113.81 1.041 . . . . 0.0 113.81 177.069 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -73.79 -14.33 61.09 Favored 'General case' 0 CA--C 1.547 0.849 0 N-CA-C 114.315 1.228 . . . . 0.0 114.315 176.459 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -98.06 -35.81 4.93 Favored Glycine 0 CA--C 1.537 1.406 0 C-N-CA 124.933 1.254 . . . . 0.0 113.205 169.269 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 85.6 mm-40 -72.78 -23.66 60.83 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 118.55 1.175 . . . . 0.0 113.503 176.328 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.441 ' SG ' ' HB3' ' A' ' 18' ' ' SER . 3.9 t -152.99 152.39 31.36 Favored 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 114.174 1.176 . . . . 0.0 114.174 -173.369 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 29.4 mmm180 -135.15 148.5 49.75 Favored 'General case' 0 N--CA 1.48 1.061 0 N-CA-C 114.139 1.163 . . . . 0.0 114.139 -175.437 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 90.3 145.86 14.38 Favored Glycine 0 CA--C 1.531 1.058 0 C-N-CA 125.403 1.478 . . . . 0.0 110.741 -165.74 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 60.2 tttm -61.66 -43.56 98.62 Favored 'General case' 0 N--CA 1.476 0.852 0 CA-C-N 118.357 1.078 . . . . 0.0 112.62 -170.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 37.9 t -77.7 -33.08 18.59 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 C-N-CA 124.733 1.213 . . . . 0.0 111.284 -176.661 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.441 ' HB3' ' SG ' ' A' ' 13' ' ' CYS . 5.2 m -64.97 -48.13 75.12 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 124.927 1.291 . . . . 0.0 111.134 171.295 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -60.15 -37.64 80.73 Favored 'General case' 0 CA--C 1.545 0.765 0 O-C-N 121.17 -0.956 . . . . 0.0 113.324 168.486 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -62.7 -35.37 79.48 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-N 119.933 1.242 . . . . 0.0 111.936 172.725 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 16.6 t80 -62.57 -39.91 95.17 Favored 'General case' 0 N--CA 1.471 0.603 0 O-C-N 121.348 -0.845 . . . . 0.0 112.131 170.276 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 48.8 t -68.22 -32.49 72.73 Favored 'General case' 0 CA--C 1.54 0.563 0 O-C-N 121.41 -0.806 . . . . 0.0 111.97 176.345 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.6 mp -63.85 -30.08 71.2 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.903 1.281 . . . . 0.0 113.505 170.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -80.23 -47.01 15.29 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.513 1.125 . . . . 0.0 112.595 170.845 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 39.7 m80 -124.7 0.67 8.13 Favored 'General case' 0 N--CA 1.48 1.061 0 N-CA-C 116.104 1.89 . . . . 0.0 116.104 -152.726 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 81.3 m 59.48 13.37 3.23 Favored 'General case' 0 N--CA 1.479 1.009 0 N-CA-C 116.564 2.061 . . . . 0.0 116.564 -177.08 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -137.9 167.74 21.13 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 127.139 2.176 . . . . 0.0 112.03 178.542 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 6.0 t -88.04 159.16 18.38 Favored 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 113.259 0.837 . . . . 0.0 113.259 173.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 14.6 tt -83.37 131.13 53.89 Favored Pre-proline 0 CA--C 1.547 0.864 0 C-N-CA 124.779 1.232 . . . . 0.0 112.176 -168.201 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -74.49 152.5 43.59 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.845 2.363 . . . . 0.0 113.64 -178.616 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.35 0 C-N-CA 129.403 3.081 . . . . 0.0 115.707 4.148 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.228 0 N-CA-C 110.536 -1.026 . . . . 0.0 110.536 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 m -68.94 108.08 3.36 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 118.515 1.158 . . . . 0.0 112.013 -170.742 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 69.22 -57.16 0.61 Allowed Glycine 0 CA--C 1.536 1.406 0 C-N-CA 126.131 1.824 . . . . 0.0 114.664 -173.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -132.11 -73.15 0.52 Allowed 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 126.5 1.92 . . . . 0.0 107.062 163.043 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 56.0 mtt -147.21 141.56 26.33 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 125.029 1.332 . . . . 0.0 109.441 154.422 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -53.49 -41.93 66.76 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 125.054 1.342 . . . . 0.0 111.501 172.701 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 29.7 mp0 -64.3 -51.36 63.89 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 126.435 1.894 . . . . 0.0 112.216 -178.835 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 69.9 t80 -57.75 -48.4 79.75 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 125.231 1.412 . . . . 0.0 110.756 174.52 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 63.4 m -60.12 -32.52 71.07 Favored 'General case' 0 CA--C 1.534 0.353 0 N-CA-C 113.12 0.785 . . . . 0.0 113.12 177.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -81.54 -20.96 38.92 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 114.581 1.326 . . . . 0.0 114.581 174.62 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -80.16 -33.11 33.46 Favored Glycine 0 CA--C 1.535 1.31 0 C-N-CA 124.309 0.956 . . . . 0.0 113.62 171.486 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 -102.97 -11.38 18.24 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 125.109 1.364 . . . . 0.0 114.202 -174.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.2 t -148.43 151.81 35.88 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.787 1.235 . . . . 0.0 112.391 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 83.7 mtm-85 -142.17 153.46 44.07 Favored 'General case' 0 N--CA 1.48 1.069 0 N-CA-C 114.982 1.475 . . . . 0.0 114.982 -178.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 90.47 140.47 8.49 Favored Glycine 0 CA--C 1.531 1.032 0 N-CA-C 110.151 -1.18 . . . . 0.0 110.151 -160.026 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 32.5 ttmt -63.45 -37.46 87.37 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 124.47 1.108 . . . . 0.0 112.843 -168.695 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 43.2 t -79.9 -33.07 14.42 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 C-N-CA 125.448 1.499 . . . . 0.0 111.543 178.224 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.4 m -63.76 -47.29 81.61 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 124.593 1.157 . . . . 0.0 111.045 173.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -63.26 -34.85 78.57 Favored 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 113.51 0.93 . . . . 0.0 113.51 168.787 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -68.51 -34.85 76.61 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-N 119.726 1.148 . . . . 0.0 111.991 176.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 69.0 t80 -57.93 -39.75 78.78 Favored 'General case' 0 N--CA 1.477 0.888 0 O-C-N 120.558 -1.339 . . . . 0.0 112.546 166.814 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 52.6 t -67.77 -33.02 74.03 Favored 'General case' 0 CA--C 1.54 0.572 0 O-C-N 121.118 -0.989 . . . . 0.0 112.291 178.195 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.7 mp -64.52 -19.01 65.34 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 124.461 1.104 . . . . 0.0 113.83 168.815 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 84.7 mttt -94.91 -30.4 14.18 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.578 1.151 . . . . 0.0 113.557 173.484 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 52.3 m80 -140.95 7.7 2.06 Favored 'General case' 0 N--CA 1.479 1.022 0 N-CA-C 116.748 2.129 . . . . 0.0 116.748 -163.434 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 8.2 t 52.5 28.72 6.23 Favored 'General case' 0 CA--C 1.555 1.154 0 N-CA-C 115.789 1.774 . . . . 0.0 115.789 175.853 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -144.97 160.86 40.67 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 128.373 2.669 . . . . 0.0 109.171 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 11.8 t -76.01 157.4 33.07 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 119.551 1.068 . . . . 0.0 111.234 170.855 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 18.7 tt -64.38 134.73 96.08 Favored Pre-proline 0 CA--C 1.544 0.721 0 C-N-CA 124.364 1.066 . . . . 0.0 112.222 -170.236 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -69.96 111.03 2.74 Favored 'Trans proline' 0 C--N 1.348 0.541 0 C-N-CA 123.129 2.553 . . . . 0.0 110.73 178.682 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 40.5 ttm180 . . . . . 0 C--O 1.247 0.938 0 C-N-CA 127.463 2.305 . . . . 0.0 109.585 -173.676 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.537 0 N-CA-C 111.476 -0.649 . . . . 0.0 111.476 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 56.0 m -78.59 47.58 0.73 Allowed 'General case' 0 N--CA 1.481 1.075 0 C-N-CA 124.806 1.242 . . . . 0.0 113.352 178.03 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 74.9 -79.61 0.98 Allowed Glycine 0 CA--C 1.528 0.899 0 C-N-CA 124.852 1.215 . . . . 0.0 112.92 -179.209 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -144.65 -93.35 0.1 Allowed 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 125.595 1.558 . . . . 0.0 109.581 170.137 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 65.8 mtt -149.3 147.69 28.65 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 125.425 1.49 . . . . 0.0 109.496 172.137 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 22.0 mtmm -60.2 -49.02 79.29 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.782 0.833 . . . . 0.0 111.236 175.306 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 54.5 mp0 -63.12 -41.18 99.29 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.075 0.95 . . . . 0.0 111.875 -176.096 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 81.1 t80 -55.42 -47.67 75.58 Favored 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 124.753 1.221 . . . . 0.0 112.129 179.077 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.7 m -86.07 -22.41 27.18 Favored 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 114.405 1.261 . . . . 0.0 114.405 -177.826 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.8 -26.48 68.13 Favored 'General case' 0 CA--C 1.554 1.097 0 CA-C-N 120.41 1.459 . . . . 0.0 112.062 160.458 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -80.59 7.4 58.17 Favored Glycine 0 CA--C 1.54 1.602 0 C-N-CA 126.287 1.898 . . . . 0.0 114.974 168.358 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 80.7 mm-40 -122.95 -57.65 1.7 Allowed 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.537 1.535 . . . . 0.0 111.462 174.089 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 96.2 m -150.08 165.03 33.99 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 125.393 1.477 . . . . 0.0 113.356 -169.242 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 19.8 mtp-105 -130.22 -179.65 5.37 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 125.176 1.39 . . . . 0.0 112.1 172.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 90.36 123.94 2.71 Favored Glycine 0 CA--C 1.522 0.481 0 N-CA-C 107.967 -2.053 . . . . 0.0 107.967 -161.231 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 37.1 tttp -53.95 -34.53 59.94 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 124.934 1.294 . . . . 0.0 112.505 -174.685 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 5.6 p -77.95 -29.44 15.79 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 C-N-CA 124.443 1.097 . . . . 0.0 113.311 178.629 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.6 t -71.82 -44.43 63.93 Favored 'General case' 0 N--CA 1.471 0.618 0 O-C-N 121.508 -0.745 . . . . 0.0 110.347 172.817 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -62.69 -39.48 94.1 Favored 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 113.159 0.8 . . . . 0.0 113.159 170.369 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -68.92 -34.83 76.03 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 119.858 1.208 . . . . 0.0 112.878 176.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 49.3 t80 -62.45 -40.39 96.47 Favored 'General case' 0 N--CA 1.471 0.587 0 O-C-N 120.997 -1.064 . . . . 0.0 111.773 169.421 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 43.9 t -60.93 -35.0 75.56 Favored 'General case' 0 N--CA 1.471 0.583 0 O-C-N 121.079 -1.013 . . . . 0.0 111.86 174.074 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 6.2 mp -69.36 -3.22 13.27 Favored 'General case' 0 CA--C 1.548 0.897 0 N-CA-C 115.024 1.49 . . . . 0.0 115.024 174.032 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 44.7 mmtm -111.04 -24.17 10.5 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 126.2 1.8 . . . . 0.0 114.133 163.398 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -135.83 -3.17 2.31 Favored 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 117.421 2.378 . . . . 0.0 117.421 -161.687 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 3.4 t 57.68 22.47 8.39 Favored 'General case' 0 CA--C 1.554 1.101 0 N-CA-C 116.103 1.89 . . . . 0.0 116.103 -177.038 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 16.8 ptpt -143.42 165.65 26.95 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 126.445 1.898 . . . . 0.0 111.172 174.302 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 31.2 m -55.64 155.17 5.9 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 122.459 0.304 . . . . 0.0 111.814 166.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 13.5 tt -61.29 137.9 94.51 Favored Pre-proline 0 N--CA 1.476 0.864 0 CA-C-O 118.098 -0.953 . . . . 0.0 109.062 166.581 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_exo -52.83 121.94 10.15 Favored 'Trans proline' 0 CA--C 1.539 0.728 0 N-CA-C 116.771 1.796 . . . . 0.0 116.771 -147.357 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 13.3 ttp180 . . . . . 0 C--O 1.252 1.204 0 C-N-CA 128.586 2.754 . . . . 0.0 109.467 -173.193 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 1.023 0 N-CA-C 110.394 -1.082 . . . . 0.0 110.394 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.9 p -131.53 166.4 21.46 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 125.391 1.477 . . . . 0.0 112.465 173.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -82.26 172.85 52.86 Favored Glycine 0 CA--C 1.529 0.935 0 C-N-CA 124.117 0.865 . . . . 0.0 114.147 -176.361 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.1 m -108.91 -90.26 0.46 Allowed 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 124.302 1.041 . . . . 0.0 112.323 179.368 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 74.6 mtm -147.87 148.39 30.79 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 125.912 1.685 . . . . 0.0 108.766 170.147 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 55.9 mtmt -61.94 -48.68 79.31 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 123.611 0.764 . . . . 0.0 111.56 -178.667 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 33.7 mp0 -62.13 -40.54 96.28 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 123.712 0.805 . . . . 0.0 111.788 -178.869 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 66.8 t80 -62.93 -50.46 70.74 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 123.897 0.879 . . . . 0.0 111.601 176.085 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 57.5 m -64.77 -41.03 96.17 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 123.904 0.882 . . . . 0.0 112.419 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.47 -30.41 71.54 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 118.933 0.788 . . . . 0.0 112.777 175.733 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -69.46 -23.85 76.35 Favored Glycine 0 CA--C 1.537 1.439 0 O-C-N 121.423 -0.798 . . . . 0.0 114.556 174.748 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -118.97 -1.3 11.0 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 115.74 1.756 . . . . 0.0 115.74 -177.645 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -154.93 144.17 21.11 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 119.176 0.898 . . . . 0.0 112.421 -174.522 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 20.7 mmt85 -140.54 155.39 46.63 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.703 1.201 . . . . 0.0 114.068 -172.552 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 79.51 146.35 3.75 Favored Glycine 0 CA--C 1.534 1.224 0 N-CA-C 111.346 -0.702 . . . . 0.0 111.346 -162.424 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 64.1 mttm -55.77 -41.96 74.8 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 124.397 1.079 . . . . 0.0 113.273 -171.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.3 p -79.32 -33.54 15.6 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 N-CA-C 112.766 0.654 . . . . 0.0 112.766 -173.598 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -65.91 -47.73 73.8 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 125.006 1.322 . . . . 0.0 110.131 173.622 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -61.38 -40.48 94.48 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 113.277 0.843 . . . . 0.0 113.277 170.509 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -61.57 -39.8 92.46 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 119.14 0.882 . . . . 0.0 112.541 175.633 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 33.5 t80 -59.14 -41.04 87.34 Favored 'General case' 0 CA--C 1.538 0.498 0 O-C-N 122.056 -0.402 . . . . 0.0 111.825 172.163 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 45.5 t -68.01 -27.96 67.0 Favored 'General case' 0 CA--C 1.542 0.672 0 O-C-N 120.714 -1.241 . . . . 0.0 112.033 177.704 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 7.5 mp -78.67 -4.76 50.64 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 125.522 1.529 . . . . 0.0 114.455 170.414 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 57.1 mttp -108.99 -17.85 13.82 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 125.944 1.697 . . . . 0.0 113.564 169.431 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -143.25 -4.56 0.89 Allowed 'General case' 0 N--CA 1.477 0.909 0 N-CA-C 116.881 2.178 . . . . 0.0 116.881 -163.17 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 64.8 m 60.63 16.07 6.27 Favored 'General case' 0 N--CA 1.481 1.078 0 N-CA-C 116.709 2.114 . . . . 0.0 116.709 -175.261 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 17.9 ptpt -139.57 156.93 46.59 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 126.195 1.798 . . . . 0.0 111.802 177.82 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.7 t -69.7 156.58 38.76 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-O 121.281 0.562 . . . . 0.0 111.7 167.298 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 20.0 tt -73.72 123.59 89.49 Favored Pre-proline 0 CA--C 1.544 0.732 0 C-N-CA 124.319 1.047 . . . . 0.0 113.011 -164.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 97.9 Cg_endo -78.14 118.71 4.43 Favored 'Trans proline' 0 C--N 1.351 0.71 0 C-N-CA 122.857 2.371 . . . . 0.0 110.986 176.469 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 87.0 mtt-85 . . . . . 0 C--O 1.258 1.502 0 C-N-CA 125.295 1.438 . . . . 0.0 111.282 171.511 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.039 0 N-CA-C 111.848 -0.501 . . . . 0.0 111.848 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.8 m -146.75 10.15 1.05 Allowed 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 127.255 2.222 . . . . 0.0 113.681 5.419 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -91.57 157.74 24.83 Favored Glycine 0 CA--C 1.529 0.968 0 C-N-CA 125.156 1.36 . . . . 0.0 113.143 177.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -87.18 -56.94 3.15 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.693 1.197 . . . . 0.0 111.278 -176.029 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 44.8 mtm -157.7 132.83 8.78 Favored 'General case' 0 C--O 1.239 0.514 0 C-N-CA 128.461 2.704 . . . . 0.0 108.162 163.809 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 34.0 mtmm -63.79 -44.77 92.36 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 124.639 1.176 . . . . 0.0 111.054 176.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 52.9 mp0 -65.54 -41.04 93.47 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 123.571 0.748 . . . . 0.0 112.241 -177.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 62.2 t80 -61.73 -41.24 97.38 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 126.383 1.873 . . . . 0.0 112.005 179.254 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 42.0 t -73.9 -56.66 4.68 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-O 119.321 -0.371 . . . . 0.0 111.436 174.123 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.68 -30.89 71.73 Favored 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 113.407 0.891 . . . . 0.0 113.407 -171.493 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -73.92 -19.4 79.76 Favored Glycine 0 CA--C 1.534 1.232 0 CA-C-O 119.027 -0.874 . . . . 0.0 114.803 176.538 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 86.4 mm-40 -113.52 -33.0 6.02 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 118.985 1.392 . . . . 0.0 113.411 -175.06 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 86.0 m -130.07 137.27 50.12 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 125.455 1.502 . . . . 0.0 110.963 -171.66 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 78.8 mtm-85 -133.69 168.18 19.16 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 113.69 0.996 . . . . 0.0 113.69 -168.706 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 87.09 134.59 4.14 Favored Glycine 0 CA--C 1.531 1.052 0 C-N-CA 125.082 1.325 . . . . 0.0 110.172 -161.045 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 82.8 tttt -55.34 -30.47 60.32 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 125.519 1.527 . . . . 0.0 112.555 -176.143 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.3 p -76.79 -38.48 29.73 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 N-CA-C 113.071 0.767 . . . . 0.0 113.071 179.433 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 6.3 t -69.9 -44.58 69.42 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 119.366 0.984 . . . . 0.0 109.595 174.532 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 82.5 mt-30 -63.4 -11.01 19.66 Favored 'General case' 0 CA--C 1.551 1.009 0 N-CA-C 116.663 2.098 . . . . 0.0 116.663 170.454 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -93.99 -45.51 7.56 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 125.436 1.494 . . . . 0.0 112.48 168.038 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 15.7 t80 -58.75 -39.79 81.95 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 123.323 0.649 . . . . 0.0 111.499 179.485 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 31.6 p -67.58 -28.29 67.65 Favored 'General case' 0 CA--C 1.534 0.349 0 O-C-N 121.046 -1.033 . . . . 0.0 112.183 178.8 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.4 mp -78.74 -5.74 54.02 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.179 0.992 . . . . 0.0 113.462 175.848 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 83.0 mttt -109.63 -18.93 13.36 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 127.0 2.12 . . . . 0.0 112.845 172.652 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -141.66 -5.36 1.05 Allowed 'General case' 0 N--CA 1.481 1.101 0 N-CA-C 117.971 2.582 . . . . 0.0 117.971 -164.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 7.4 t 64.51 -2.71 0.61 Allowed 'General case' 0 N--CA 1.484 1.269 0 CA-C-N 122.516 2.416 . . . . 0.0 115.753 -169.119 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 69.2 mttt -114.09 147.7 38.32 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 125.742 1.617 . . . . 0.0 111.424 -173.79 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 40.7 m -75.35 145.67 41.5 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-O 120.773 0.32 . . . . 0.0 110.295 164.7 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 20.1 tt -67.8 130.1 93.06 Favored Pre-proline 0 CA--C 1.549 0.929 0 N-CA-C 114.12 1.155 . . . . 0.0 114.12 -159.245 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_endo -91.47 132.36 1.4 Allowed 'Trans proline' 0 CA--C 1.542 0.905 0 C-N-CA 123.651 2.901 . . . . 0.0 111.864 171.165 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 28.3 ptt180 . . . . . 0 C--O 1.253 1.261 0 C-N-CA 126.798 2.039 . . . . 0.0 111.987 -176.967 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.39 0 CA-C-O 119.317 -0.713 . . . . 0.0 111.642 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 90.5 p -144.32 157.97 43.99 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 124.647 1.179 . . . . 0.0 112.696 170.163 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -75.84 156.52 47.8 Favored Glycine 0 CA--C 1.533 1.192 0 N-CA-C 115.692 1.037 . . . . 0.0 115.692 -169.635 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.3 m -94.45 -88.73 0.24 Allowed 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.388 1.075 . . . . 0.0 112.217 179.707 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 72.2 mtm -149.13 137.75 21.08 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.577 1.151 . . . . 0.0 110.825 174.157 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 30.3 tttp -55.84 -39.02 70.84 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 125.379 1.471 . . . . 0.0 112.506 179.466 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 32.8 mp0 -66.75 -36.92 83.58 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.697 1.199 . . . . 0.0 112.975 176.277 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 64.7 t80 -71.11 -42.54 69.14 Favored 'General case' 0 N--CA 1.47 0.545 0 O-C-N 121.323 -0.86 . . . . 0.0 110.906 174.437 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 85.7 m -63.3 -39.82 95.64 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 123.512 0.725 . . . . 0.0 112.517 177.282 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.81 -28.3 62.48 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 118.959 0.799 . . . . 0.0 112.684 170.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -65.35 -46.02 88.18 Favored Glycine 0 CA--C 1.532 1.113 0 O-C-N 121.352 -0.842 . . . . 0.0 112.877 174.541 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 30.5 mm100 -98.07 -43.48 7.02 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.795 1.238 . . . . 0.0 114.298 -173.012 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 3.4 m -100.68 154.74 18.35 Favored 'General case' 0 CA--C 1.536 0.428 0 O-C-N 121.302 -0.874 . . . . 0.0 111.48 -166.341 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -138.52 144.33 39.9 Favored 'General case' 0 N--CA 1.471 0.585 0 N-CA-C 114.097 1.147 . . . . 0.0 114.097 178.791 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 91.43 140.28 8.95 Favored Glycine 0 CA--C 1.53 1.013 0 C-N-CA 124.808 1.194 . . . . 0.0 110.481 -163.834 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -62.3 -22.11 65.78 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 124.929 1.292 . . . . 0.0 113.515 -173.685 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 21.9 t -88.8 -37.43 10.15 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 C-N-CA 124.979 1.312 . . . . 0.0 111.269 177.843 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.6 m -65.61 -48.18 73.13 Favored 'General case' 0 C--O 1.232 0.155 0 C-N-CA 125.448 1.499 . . . . 0.0 111.575 175.638 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 90.7 mt-30 -60.3 -28.23 67.94 Favored 'General case' 0 CA--C 1.546 0.805 0 N-CA-C 113.893 1.071 . . . . 0.0 113.893 170.742 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -82.8 -33.99 27.1 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.263 1.025 . . . . 0.0 113.197 175.457 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 65.7 t80 -60.52 -33.8 73.16 Favored 'General case' 0 N--CA 1.471 0.616 0 O-C-N 120.62 -1.3 . . . . 0.0 111.157 172.802 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 20.4 t -68.44 -26.37 65.48 Favored 'General case' 0 CA--C 1.547 0.836 0 O-C-N 121.072 -1.017 . . . . 0.0 112.809 174.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.5 mp -78.26 -9.29 59.16 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 126.313 1.845 . . . . 0.0 114.049 169.745 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 58.2 mttp -101.97 -26.35 13.44 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 125.284 1.434 . . . . 0.0 112.453 169.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 52.9 m80 -140.48 2.54 1.84 Allowed 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 117.345 2.35 . . . . 0.0 117.345 -161.442 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 26.6 m 59.38 9.42 1.44 Allowed 'General case' 0 N--CA 1.482 1.128 0 N-CA-C 116.8 2.148 . . . . 0.0 116.8 -179.565 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.0 pttt -138.03 162.57 33.78 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 126.027 1.731 . . . . 0.0 111.825 172.288 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 68.6 m -73.88 157.79 35.67 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-O 121.649 0.738 . . . . 0.0 112.46 172.058 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.406 ' HA ' ' HD3' ' A' ' 30' ' ' PRO . 14.5 tt -75.08 138.1 72.48 Favored Pre-proline 0 CA--C 1.552 1.034 0 C-N-CA 123.749 0.819 . . . . 0.0 112.774 -170.153 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 29' ' ' ILE . 77.8 Cg_exo -60.22 165.43 10.8 Favored 'Trans proline' 0 C--N 1.355 0.907 0 C-N-CA 124.265 3.31 . . . . 0.0 115.066 177.172 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 6.6 ptt-85 . . . . . 0 C--O 1.25 1.1 0 C-N-CA 126.867 2.067 . . . . 0.0 113.057 -175.019 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.101 0 N-CA-C 110.218 -1.153 . . . . 0.0 110.218 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.5 p -78.54 -14.8 59.16 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 114.328 1.233 . . . . 0.0 114.328 -178.859 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 56.52 -124.63 35.63 Favored Glycine 0 CA--C 1.529 0.915 0 C-N-CA 124.272 0.939 . . . . 0.0 112.191 -179.706 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.8 t -66.33 -76.32 0.08 Allowed 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 123.203 0.601 . . . . 0.0 110.746 166.252 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 83.0 mtp -157.38 144.43 18.39 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 127.517 2.327 . . . . 0.0 107.225 158.247 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 85.5 mttt -59.33 -45.22 91.95 Favored 'General case' 0 N--CA 1.48 1.049 0 CA-C-N 119.736 1.153 . . . . 0.0 112.692 -178.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 6.8 mp0 -66.93 -37.29 84.06 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.418 1.087 . . . . 0.0 113.256 179.072 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 84.1 t80 -65.33 -47.85 75.08 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.784 0.834 . . . . 0.0 110.768 177.067 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 92.7 m -65.65 -38.81 90.38 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-O 118.852 -0.594 . . . . 0.0 112.093 177.587 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.32 -33.64 76.18 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 119.157 0.889 . . . . 0.0 113.205 173.648 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -75.32 -47.55 12.59 Favored Glycine 0 CA--C 1.532 1.111 0 C-N-CA 124.689 1.138 . . . . 0.0 113.427 177.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 50.7 mm-40 -81.76 -41.88 20.57 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 118.477 1.139 . . . . 0.0 113.196 -177.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 10.7 m -110.59 167.64 10.07 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.689 1.196 . . . . 0.0 112.642 -169.872 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 81.3 mmt-85 -134.43 -168.48 2.15 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 124.932 1.293 . . . . 0.0 114.039 -175.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 67.8 6.18 42.6 Favored Glycine 0 CA--C 1.534 1.251 0 C-N-CA 126.159 1.837 . . . . 0.0 117.408 164.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 49.2 tttm 59.39 -30.05 0.04 OUTLIER 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 131.395 3.878 . . . . 0.0 114.639 -168.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 94.8 t -77.1 -42.71 31.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 C-N-CA 127.551 2.34 . . . . 0.0 113.018 175.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 16.2 t -71.1 -36.17 72.08 Favored 'General case' 0 N--CA 1.474 0.73 0 O-C-N 120.896 -1.127 . . . . 0.0 110.994 175.09 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 57.3 mt-30 -57.86 -41.93 83.46 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 123.856 0.862 . . . . 0.0 112.658 165.526 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -67.82 -42.11 82.03 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.37 1.068 . . . . 0.0 111.869 177.632 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 10.2 t80 -61.94 -38.34 88.07 Favored 'General case' 0 CA--C 1.535 0.393 0 N-CA-C 112.28 0.474 . . . . 0.0 112.28 171.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 41.4 t -66.21 -30.08 70.46 Favored 'General case' 0 CA--C 1.54 0.595 0 O-C-N 120.998 -1.064 . . . . 0.0 111.918 175.497 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.1 mp -73.84 -9.54 58.75 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 126.023 1.729 . . . . 0.0 114.539 170.832 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 59.3 mttp -107.39 -22.33 12.61 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 126.428 1.891 . . . . 0.0 113.708 172.589 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -142.92 -1.34 1.1 Allowed 'General case' 0 N--CA 1.479 1.019 0 N-CA-C 117.399 2.37 . . . . 0.0 117.399 -163.172 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.6 m 58.21 13.27 2.24 Favored 'General case' 0 N--CA 1.485 1.3 0 N-CA-C 116.6 2.074 . . . . 0.0 116.6 -171.721 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.3 ptpt -133.86 153.54 51.67 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 125.169 1.388 . . . . 0.0 112.088 178.544 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 59.7 m -70.69 150.99 45.4 Favored 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 169.748 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 18.4 tt -68.01 137.29 92.09 Favored Pre-proline 0 CA--C 1.551 1.009 0 N-CA-C 113.224 0.824 . . . . 0.0 113.224 -163.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -61.62 155.72 51.8 Favored 'Trans proline' 0 C--N 1.35 0.639 0 C-N-CA 123.433 2.756 . . . . 0.0 113.336 171.816 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 25.0 ptt180 . . . . . 0 C--O 1.247 0.972 0 C-N-CA 126.019 1.728 . . . . 0.0 112.66 175.485 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.073 0 N-CA-C 111.356 -0.698 . . . . 0.0 111.356 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.6 m -69.33 123.78 22.11 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 117.441 0.62 . . . . 0.0 110.595 173.268 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 62.18 -163.1 26.68 Favored Glycine 0 CA--C 1.535 1.321 0 C-N-CA 124.742 1.163 . . . . 0.0 115.876 -178.822 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.8 t -63.55 -51.77 63.99 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 124.938 1.295 . . . . 0.0 113.058 -174.557 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -170.92 138.7 1.35 Allowed 'General case' 0 N--CA 1.465 0.325 0 C-N-CA 128.306 2.643 . . . . 0.0 108.553 155.227 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 50.6 mtmt -66.23 -41.99 89.28 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-N 118.356 0.526 . . . . 0.0 111.457 179.53 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 21.7 mp0 -62.95 -38.59 91.68 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 124.724 1.209 . . . . 0.0 112.34 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 23.4 t80 -65.92 -51.21 60.56 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 124.478 1.111 . . . . 0.0 110.933 175.855 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 90.4 m -60.04 -44.96 94.31 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 123.052 0.541 . . . . 0.0 112.376 178.151 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -74.5 -23.5 58.85 Favored 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 113.763 1.023 . . . . 0.0 113.763 178.595 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -68.81 -49.36 43.0 Favored Glycine 0 CA--C 1.529 0.922 0 O-C-N 121.19 -0.944 . . . . 0.0 111.749 169.757 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -72.64 -49.06 34.39 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.09 0.956 . . . . 0.0 113.323 -177.49 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 74.2 m -141.78 157.48 44.97 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 113.999 1.111 . . . . 0.0 113.999 -163.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 84.2 mtm-85 -141.17 177.56 7.99 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 124.055 0.942 . . . . 0.0 112.441 174.694 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 93.98 123.62 3.75 Favored Glycine 0 CA--C 1.526 0.779 0 N-CA-C 107.478 -2.249 . . . . 0.0 107.478 -151.334 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -51.91 -38.16 55.23 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 123.942 0.897 . . . . 0.0 111.738 -176.696 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 46.2 t -84.36 -30.15 7.23 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 C-N-CA 124.406 1.082 . . . . 0.0 112.261 -175.409 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.5 t -63.12 -45.33 92.47 Favored 'General case' 0 N--CA 1.472 0.66 0 O-C-N 121.101 -0.999 . . . . 0.0 111.21 168.72 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 80.8 mt-30 -61.83 -35.35 77.99 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 113.257 0.836 . . . . 0.0 113.257 169.68 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -68.7 -42.77 77.28 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-N 120.047 1.294 . . . . 0.0 112.754 179.063 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -61.62 -36.15 79.92 Favored 'General case' 0 N--CA 1.468 0.469 0 O-C-N 121.675 -0.641 . . . . 0.0 111.321 172.676 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 44.0 t -71.24 -32.64 68.99 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 123.329 0.652 . . . . 0.0 112.198 177.267 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.6 mp -67.71 -25.15 65.52 Favored 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 113.363 0.875 . . . . 0.0 113.363 169.325 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 54.7 mttp -92.13 -32.82 14.99 Favored 'General case' 0 N--CA 1.48 1.029 0 N-CA-C 114.535 1.309 . . . . 0.0 114.535 177.31 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -131.35 2.58 4.22 Favored 'General case' 0 N--CA 1.478 0.953 0 N-CA-C 114.778 1.399 . . . . 0.0 114.778 -165.252 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 4.0 t 62.04 6.8 1.87 Allowed 'General case' 0 CA--C 1.552 1.031 0 C-N-CA 126.406 1.883 . . . . 0.0 115.008 -171.655 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 32.8 mttp -124.45 143.03 50.86 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 126.32 1.848 . . . . 0.0 110.759 -174.196 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 54.5 m -67.84 152.11 46.1 Favored 'General case' 0 C--N 1.322 -0.625 0 C-N-CA 123.182 0.593 . . . . 0.0 110.112 171.573 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 15.8 tt -67.95 131.1 92.49 Favored Pre-proline 0 CA--C 1.542 0.667 0 CA-C-O 118.966 -0.54 . . . . 0.0 111.348 -170.746 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_endo -74.27 135.14 20.12 Favored 'Trans proline' 0 CA--C 1.535 0.559 0 C-N-CA 122.332 2.021 . . . . 0.0 109.963 172.689 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? . . . . . 0 C--O 1.251 1.138 0 C-N-CA 126.183 1.793 . . . . 0.0 111.638 179.693 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.841 0 N-CA-C 110.385 -1.086 . . . . 0.0 110.385 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.7 p -79.88 -32.95 40.36 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 123.745 0.818 . . . . 0.0 112.965 -178.357 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 87.52 128.66 2.75 Favored Glycine 0 CA--C 1.536 1.352 0 C-N-CA 125.861 1.696 . . . . 0.0 112.914 -176.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 7.8 t -58.9 -56.89 16.45 Favored 'General case' 0 CA--C 1.537 0.449 0 O-C-N 118.411 -2.817 . . . . 0.0 107.358 -47.779 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 91.5 mmm -122.15 140.01 53.06 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.863 0.865 . . . . 0.0 108.955 134.32 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.85 -42.63 99.82 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 125.352 1.461 . . . . 0.0 112.648 -168.283 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 11.4 mp0 -72.54 -35.61 68.09 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.057 0.943 . . . . 0.0 111.3 -177.715 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 46.5 t80 -63.26 -44.28 95.58 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 123.756 0.822 . . . . 0.0 111.459 170.682 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 23.0 m -62.16 -32.44 73.06 Favored 'General case' 0 CA--C 1.539 0.52 0 N-CA-C 113.295 0.85 . . . . 0.0 113.295 177.016 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -73.41 -23.92 60.21 Favored 'General case' 0 CA--C 1.548 0.884 0 N-CA-C 113.939 1.088 . . . . 0.0 113.939 172.237 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -78.56 -28.54 55.03 Favored Glycine 0 CA--C 1.536 1.401 0 C-N-CA 124.266 0.936 . . . . 0.0 113.511 169.619 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 74.3 mm-40 -88.73 -28.25 20.65 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 125.052 1.341 . . . . 0.0 114.401 179.242 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -153.36 148.42 26.71 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 123.359 0.664 . . . . 0.0 112.51 -163.345 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 11.2 ptp180 -147.54 160.47 42.58 Favored 'General case' 0 N--CA 1.478 0.967 0 N-CA-C 114.553 1.316 . . . . 0.0 114.553 177.531 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 84.87 135.96 3.41 Favored Glycine 0 CA--C 1.535 1.328 0 N-CA-C 109.883 -1.287 . . . . 0.0 109.883 -146.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 37.4 ttpt -66.75 -29.82 69.88 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 124.136 0.975 . . . . 0.0 113.223 -173.457 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 26.1 t -75.57 -37.14 36.38 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.942 0 C-N-CA 124.926 1.291 . . . . 0.0 111.15 175.015 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -64.26 -48.26 76.43 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 125.249 1.42 . . . . 0.0 110.932 174.111 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 83.5 mt-30 -64.29 -39.31 93.67 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-O 118.68 -0.676 . . . . 0.0 112.507 171.568 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -59.16 -40.65 86.23 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 119.832 1.196 . . . . 0.0 112.23 174.438 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 40.1 t80 -60.98 -42.77 99.0 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 118.034 0.379 . . . . 0.0 111.86 171.182 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 42.5 t -67.31 -34.36 77.2 Favored 'General case' 0 CA--C 1.537 0.476 0 O-C-N 120.649 -1.282 . . . . 0.0 112.065 178.143 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 7.4 mp -68.23 -15.02 63.41 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 125.017 1.327 . . . . 0.0 113.576 172.012 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 77.0 mttt -98.86 -32.46 11.33 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 125.957 1.703 . . . . 0.0 112.701 174.027 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -132.46 -1.38 3.52 Favored 'General case' 0 N--CA 1.477 0.911 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -160.143 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 69.1 m 61.54 14.87 6.26 Favored 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 116.606 2.076 . . . . 0.0 116.606 -179.358 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 63.9 pttt -141.93 161.8 37.07 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 124.953 1.301 . . . . 0.0 111.788 170.223 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.2 t -68.36 153.61 43.41 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-O 121.985 0.898 . . . . 0.0 111.74 170.833 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.419 ' HA ' ' HD3' ' A' ' 30' ' ' PRO . 20.8 tt -64.67 134.4 96.01 Favored Pre-proline 0 CA--C 1.551 1.013 0 C-N-CA 125.333 1.453 . . . . 0.0 112.895 -165.699 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 29' ' ' ILE . 50.4 Cg_exo -64.82 130.57 26.5 Favored 'Trans proline' 0 C--N 1.353 0.786 0 C-N-CA 123.229 2.619 . . . . 0.0 113.617 178.529 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 8.9 ptm180 . . . . . 0 C--O 1.253 1.287 0 C-N-CA 127.569 2.348 . . . . 0.0 112.583 -173.569 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.181 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 56.6 p -111.05 156.59 21.07 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.241 1.017 . . . . 0.0 113.314 178.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -79.76 157.78 42.13 Favored Glycine 0 N--CA 1.464 0.551 0 C-N-CA 124.83 1.205 . . . . 0.0 114.298 -176.612 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.3 m -91.23 -92.7 0.14 Allowed 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 125.166 1.386 . . . . 0.0 110.673 177.468 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 72.2 mtm -143.95 140.16 29.51 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.251 1.02 . . . . 0.0 110.542 173.014 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 42.5 mtmt -54.21 -43.04 70.43 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 126.298 1.839 . . . . 0.0 111.542 174.885 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -59.63 -44.89 93.32 Favored 'General case' 0 N--CA 1.473 0.702 0 N-CA-C 113.477 0.917 . . . . 0.0 113.477 178.595 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 79.6 t80 -67.94 -47.1 69.62 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 123.82 0.848 . . . . 0.0 110.603 175.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 99.3 m -64.32 -33.67 76.38 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 113.784 1.031 . . . . 0.0 113.784 -178.623 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -80.41 -14.31 58.42 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 114.156 1.169 . . . . 0.0 114.156 178.608 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -86.31 -48.09 4.69 Favored Glycine 0 CA--C 1.534 1.242 0 C-N-CA 124.406 1.003 . . . . 0.0 112.048 166.546 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 75.8 mm-40 -72.85 -26.06 61.33 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 114.213 1.19 . . . . 0.0 114.213 -178.302 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -145.18 145.93 31.55 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 123.731 0.813 . . . . 0.0 112.573 -172.746 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 31.2 mmm180 -135.5 144.78 46.54 Favored 'General case' 0 N--CA 1.481 1.101 0 N-CA-C 113.979 1.103 . . . . 0.0 113.979 -168.687 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 88.54 147.69 14.98 Favored Glycine 0 CA--C 1.531 1.06 0 C-N-CA 124.395 0.998 . . . . 0.0 111.255 -164.295 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 55.0 tttm -59.74 -40.8 89.3 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.141 0.976 . . . . 0.0 112.486 -167.257 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 11.5 p -74.52 -33.39 32.55 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 C-N-CA 124.985 1.314 . . . . 0.0 113.128 -178.841 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -72.71 -47.27 48.55 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 126.095 1.758 . . . . 0.0 109.763 -178.454 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 92.6 mt-30 -55.97 -41.48 74.82 Favored 'General case' 0 CA--C 1.545 0.784 0 N-CA-C 112.508 0.559 . . . . 0.0 112.508 165.188 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -66.49 -33.13 74.99 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 124.205 1.002 . . . . 0.0 113.102 179.754 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 26.1 t80 -59.95 -46.15 90.34 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 123.551 0.741 . . . . 0.0 112.156 169.436 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 53.6 t -65.45 -28.55 69.3 Favored 'General case' 0 CA--C 1.541 0.626 0 O-C-N 121.318 -0.864 . . . . 0.0 112.094 178.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.3 mp -73.06 2.37 7.19 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 125.78 1.632 . . . . 0.0 114.786 169.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 79.2 mttt -125.84 -13.84 6.29 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 125.049 1.339 . . . . 0.0 114.238 168.187 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 90.1 m-70 -137.26 -2.73 2.0 Favored 'General case' 0 N--CA 1.477 0.915 0 N-CA-C 115.622 1.712 . . . . 0.0 115.622 -168.532 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 3.4 t 59.4 6.43 0.77 Allowed 'General case' 0 CA--C 1.551 0.99 0 N-CA-C 116.061 1.874 . . . . 0.0 116.061 -174.01 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.9 ptmm? -130.71 166.0 21.69 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 126.374 1.87 . . . . 0.0 112.148 -178.684 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 6.8 t -72.53 161.46 30.77 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-O 121.293 0.568 . . . . 0.0 112.494 172.209 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 20.8 tt -69.04 149.26 97.83 Favored Pre-proline 0 CA--C 1.552 1.02 0 C-N-CA 127.02 2.128 . . . . 0.0 112.775 -171.318 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 94.2 Cg_exo -56.86 124.65 16.76 Favored 'Trans proline' 0 C--N 1.359 1.086 0 C-N-CA 123.527 2.818 . . . . 0.0 116.052 -165.225 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 18.8 ptt180 . . . . . 0 C--O 1.253 1.279 0 C-N-CA 126.25 1.82 . . . . 0.0 112.992 174.918 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.838 0 N-CA-C 110.861 -0.895 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.9 m -70.42 110.63 5.44 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 124.31 1.044 . . . . 0.0 111.639 -177.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 69.85 -76.68 0.42 Allowed Glycine 0 N--CA 1.468 0.796 0 C-N-CA 124.049 0.833 . . . . 0.0 111.088 -169.6 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.2 t -124.31 -69.9 0.78 Allowed 'General case' 0 CA--C 1.538 0.488 0 N-CA-C 107.679 -1.23 . . . . 0.0 107.679 159.126 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 58.4 mtt -144.73 148.95 34.76 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 125.122 1.369 . . . . 0.0 107.784 147.484 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 39.5 ttpt -60.97 -43.68 98.44 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 119.199 0.909 . . . . 0.0 111.338 174.844 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 61.2 mp0 -62.85 -41.75 99.48 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 124.344 1.058 . . . . 0.0 112.496 178.858 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 65.6 t80 -60.82 -51.77 67.9 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 124.417 1.087 . . . . 0.0 110.752 174.562 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 62.7 m -65.77 -36.66 84.18 Favored 'General case' 0 CA--C 1.537 0.46 0 N-CA-C 113.585 0.957 . . . . 0.0 113.585 179.756 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.12 -36.9 80.49 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 123.713 0.805 . . . . 0.0 112.768 176.805 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -70.46 -51.79 19.69 Favored Glycine 0 CA--C 1.533 1.206 0 C-N-CA 123.689 0.662 . . . . 0.0 112.789 173.85 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 35.4 mm-40 -67.53 -39.82 85.04 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 123.987 0.915 . . . . 0.0 112.739 -176.219 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 5.6 m -127.72 153.58 46.35 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.617 1.167 . . . . 0.0 111.894 -168.52 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 15.8 ptp180 -153.34 159.25 42.44 Favored 'General case' 0 N--CA 1.479 0.987 0 N-CA-C 115.591 1.7 . . . . 0.0 115.591 178.799 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 85.74 135.24 3.65 Favored Glycine 0 CA--C 1.533 1.204 0 N-CA-C 109.035 -1.626 . . . . 0.0 109.035 -146.441 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -62.03 -37.62 85.6 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 117.866 0.833 . . . . 0.0 112.516 -171.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 48.9 t -72.27 -32.78 44.03 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 C-N-CA 124.053 0.941 . . . . 0.0 111.488 178.585 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.3 m -65.15 -42.78 93.48 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 124.595 1.158 . . . . 0.0 111.721 173.711 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 84.3 mt-30 -67.93 -41.53 82.41 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 113.072 0.767 . . . . 0.0 113.072 171.002 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -65.67 -31.23 72.13 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.643 1.177 . . . . 0.0 113.45 178.339 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 54.3 t80 -65.65 -41.64 92.34 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.686 0.795 . . . . 0.0 112.381 166.396 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 52.9 t -66.46 -30.09 70.36 Favored 'General case' 0 CA--C 1.537 0.473 0 O-C-N 121.23 -0.919 . . . . 0.0 111.244 178.385 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.3 mp -65.66 -12.28 52.15 Favored 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 114.476 1.287 . . . . 0.0 114.476 169.471 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -102.54 -28.57 12.09 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 124.833 1.253 . . . . 0.0 113.281 168.426 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 83.7 m-70 -126.71 -6.49 6.26 Favored 'General case' 0 N--CA 1.477 0.878 0 N-CA-C 116.591 2.071 . . . . 0.0 116.591 -161.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 4.5 t 56.48 11.92 0.95 Allowed 'General case' 0 CA--C 1.553 1.079 0 N-CA-C 115.189 1.551 . . . . 0.0 115.189 -169.43 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 32.7 mttp -131.79 158.19 41.89 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 126.301 1.84 . . . . 0.0 109.882 -175.402 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 48.1 m -73.43 157.62 36.53 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-O 121.64 0.733 . . . . 0.0 112.112 171.519 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 19.7 tt -72.7 136.82 80.27 Favored Pre-proline 0 CA--C 1.543 0.678 0 C-N-CA 123.688 0.795 . . . . 0.0 112.879 -170.279 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 22.3 Cg_exo -70.72 109.41 2.49 Favored 'Trans proline' 0 CA--C 1.54 0.779 0 C-N-CA 123.481 2.787 . . . . 0.0 109.532 160.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 50.2 ptt85 . . . . . 0 C--O 1.254 1.302 0 C-N-CA 126.091 1.756 . . . . 0.0 113.436 -179.965 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.845 0 N-CA-C 110.799 -0.92 . . . . 0.0 110.799 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.9 m -77.96 29.37 0.17 Allowed 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 125.488 1.515 . . . . 0.0 115.004 -172.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 78.11 -168.61 54.12 Favored Glycine 0 CA--C 1.53 1.002 0 C-N-CA 126.086 1.803 . . . . 0.0 114.487 -174.014 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.2 m -135.52 -83.35 0.4 Allowed 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 125.892 1.677 . . . . 0.0 110.204 -176.163 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 85.7 mtp -148.23 134.98 19.95 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 126.092 1.757 . . . . 0.0 109.517 165.616 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 11.6 ptpt -68.38 -27.25 66.07 Favored 'General case' 0 N--CA 1.475 0.782 0 N-CA-C 113.909 1.077 . . . . 0.0 113.909 178.113 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 26.6 mp0 -64.03 -43.52 95.32 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 124.797 1.239 . . . . 0.0 111.963 170.328 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 18.8 t80 -70.2 -43.36 70.87 Favored 'General case' 0 N--CA 1.468 0.435 0 O-C-N 121.523 -0.736 . . . . 0.0 111.158 176.752 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 47.8 m -61.51 -36.72 81.32 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-O 118.357 -0.83 . . . . 0.0 112.984 174.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.21 -24.82 65.88 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 119.368 0.986 . . . . 0.0 113.099 172.455 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -74.73 -22.83 76.48 Favored Glycine 0 CA--C 1.534 1.28 0 C-N-CA 124.426 1.012 . . . . 0.0 114.182 170.572 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -99.95 -27.26 13.68 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 125.084 1.354 . . . . 0.0 114.03 179.015 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -158.13 145.38 18.04 Favored 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 113.042 0.756 . . . . 0.0 113.042 -158.084 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 9.5 ptp180 -146.96 162.6 38.41 Favored 'General case' 0 N--CA 1.476 0.827 0 N-CA-C 114.115 1.154 . . . . 0.0 114.115 174.684 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 90.93 144.87 13.05 Favored Glycine 0 CA--C 1.534 1.228 0 N-CA-C 110.472 -1.051 . . . . 0.0 110.472 -155.401 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 36.5 ttpt -56.23 -49.39 74.26 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 125.249 1.419 . . . . 0.0 112.117 -172.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 23.9 t -77.29 -33.47 19.97 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 C-N-CA 125.414 1.486 . . . . 0.0 111.291 -174.069 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.1 m -62.45 -49.41 75.55 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 125.347 1.459 . . . . 0.0 111.436 172.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -67.36 -37.38 83.12 Favored 'General case' 0 N--CA 1.468 0.449 0 N-CA-C 113.177 0.806 . . . . 0.0 113.177 172.763 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -59.79 -40.84 89.65 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 123.683 0.793 . . . . 0.0 112.022 174.849 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 34.1 t80 -60.8 -38.76 86.46 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 123.166 0.586 . . . . 0.0 112.193 170.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 35.0 t -70.11 -30.61 67.85 Favored 'General case' 0 CA--C 1.537 0.48 0 O-C-N 120.378 -1.451 . . . . 0.0 112.191 177.098 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 7.2 mp -76.3 1.0 17.32 Favored 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 114.405 1.261 . . . . 0.0 114.405 169.51 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 70.2 mttt -110.24 -21.07 12.42 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 126.148 1.779 . . . . 0.0 113.588 169.313 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 -144.45 -1.94 0.89 Allowed 'General case' 0 N--CA 1.48 1.059 0 N-CA-C 116.369 1.989 . . . . 0.0 116.369 -163.816 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 34.7 m 61.02 19.9 10.35 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 126.998 2.119 . . . . 0.0 116.395 -177.592 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 16.4 ptpt -150.79 162.61 40.41 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 126.789 2.036 . . . . 0.0 112.752 -177.533 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.7 t -75.0 155.43 37.34 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-O 122.403 1.097 . . . . 0.0 112.784 178.559 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 20.5 tt -68.79 133.78 90.33 Favored Pre-proline 0 CA--C 1.547 0.854 0 C-N-CA 125.322 1.449 . . . . 0.0 113.137 -168.327 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 78.6 Cg_endo -79.61 74.82 5.37 Favored 'Trans proline' 0 CA--C 1.54 0.796 0 C-N-CA 123.558 2.838 . . . . 0.0 110.314 177.225 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 8.2 ptm180 . . . . . 0 C--O 1.255 1.361 0 C-N-CA 126.513 1.925 . . . . 0.0 113.406 164.583 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.938 0 N-CA-C 109.711 -1.356 . . . . 0.0 109.711 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 99.0 p -110.1 -18.46 13.33 Favored 'General case' 0 N--CA 1.477 0.922 0 N-CA-C 114.423 1.268 . . . . 0.0 114.423 -179.085 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -163.84 160.99 33.88 Favored Glycine 0 CA--C 1.529 0.956 0 C-N-CA 124.69 1.138 . . . . 0.0 111.966 178.083 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 7.4 t -110.35 -83.28 0.57 Allowed 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 166.892 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 67.7 mtm -138.58 126.53 22.49 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 125.156 1.382 . . . . 0.0 108.712 164.235 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 25.2 ttpt -68.06 -26.58 65.93 Favored 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 114.359 1.244 . . . . 0.0 114.359 -165.414 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -81.77 -29.3 32.84 Favored 'General case' 0 N--CA 1.476 0.851 0 CA-C-N 119.282 0.946 . . . . 0.0 113.46 172.292 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 68.6 t80 -66.78 -41.69 87.25 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 124.083 0.953 . . . . 0.0 111.386 -179.185 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 96.3 m -72.52 -44.67 61.86 Favored 'General case' 0 CA--C 1.541 0.623 0 O-C-N 121.573 -0.704 . . . . 0.0 112.434 174.57 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.95 -29.33 69.72 Favored 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 114.068 1.136 . . . . 0.0 114.068 -178.71 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -77.84 -46.16 9.85 Favored Glycine 0 CA--C 1.528 0.898 0 C-N-CA 123.873 0.749 . . . . 0.0 113.448 176.121 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -70.99 -49.92 39.94 Favored 'General case' 0 CA--C 1.537 0.46 0 N-CA-C 113.506 0.928 . . . . 0.0 113.506 -175.87 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 74.6 m -130.72 157.89 41.58 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 124.698 1.199 . . . . 0.0 111.698 -164.36 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 69.4 mtt180 -144.69 166.94 23.77 Favored 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 113.775 1.028 . . . . 0.0 113.775 -175.768 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 90.4 128.09 3.68 Favored Glycine 0 CA--C 1.531 1.055 0 N-CA-C 107.763 -2.135 . . . . 0.0 107.763 -147.768 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 67.5 tttt -68.99 -23.03 64.06 Favored 'General case' 0 N--CA 1.472 0.645 0 O-C-N 121.953 -0.733 . . . . 0.0 112.329 -171.489 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 10.9 t -89.1 -28.31 5.23 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 C-N-CA 126.037 1.735 . . . . 0.0 111.383 174.442 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 16.1 t -61.14 -49.13 78.49 Favored 'General case' 0 N--CA 1.48 1.04 0 CA-C-N 119.653 1.115 . . . . 0.0 110.561 165.698 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 82.3 mt-30 -59.57 -42.38 92.32 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 123.392 0.677 . . . . 0.0 112.771 171.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -62.58 -39.84 95.0 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 113.549 0.944 . . . . 0.0 113.549 174.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 55.8 t80 -66.71 -36.66 83.0 Favored 'General case' 0 CA--C 1.536 0.438 0 O-C-N 121.337 -0.852 . . . . 0.0 111.147 176.46 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 43.7 t -69.73 -32.22 70.65 Favored 'General case' 0 CA--C 1.535 0.39 0 N-CA-C 112.604 0.594 . . . . 0.0 112.604 172.599 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.9 mp -62.34 -48.24 80.7 Favored 'General case' 0 CA--C 1.543 0.696 0 O-C-N 120.707 -1.246 . . . . 0.0 111.081 167.035 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 60.2 mttp -68.67 -31.78 71.14 Favored 'General case' 0 N--CA 1.476 0.868 0 N-CA-C 114.939 1.459 . . . . 0.0 114.939 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 94.3 m-70 -133.93 3.62 3.48 Favored 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 115.569 1.692 . . . . 0.0 115.569 -166.551 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . 0.254 1.8 t 54.94 11.25 0.46 Allowed 'General case' 0 N--CA 1.481 1.112 0 N-CA-C 116.683 2.105 . . . . 0.0 116.683 -177.23 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 9.4 ptpp? -132.5 151.32 51.95 Favored 'General case' 0 N--CA 1.466 0.327 0 C-N-CA 127.854 2.462 . . . . 0.0 109.212 174.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 70.0 m -75.82 159.49 30.95 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-O 121.16 0.505 . . . . 0.0 112.271 -177.845 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.45 ' HA ' ' HD3' ' A' ' 30' ' ' PRO . 15.9 tt -58.47 143.32 80.98 Favored Pre-proline 0 CA--C 1.551 0.992 0 C-N-CA 124.97 1.308 . . . . 0.0 112.452 -171.635 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.45 ' HD3' ' HA ' ' A' ' 29' ' ' ILE . 85.3 Cg_exo -57.54 149.43 66.86 Favored 'Trans proline' 0 C--N 1.357 0.99 0 C-N-CA 123.256 2.637 . . . . 0.0 116.63 -157.441 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 29.0 ptt180 . . . . . 0 C--O 1.258 1.505 0 C-N-CA 127.005 2.122 . . . . 0.0 114.051 -179.536 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.235 0 N-CA-C 110.393 -1.083 . . . . 0.0 110.393 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.5 m 52.65 38.75 26.86 Favored 'General case' 0 N--CA 1.48 1.046 0 CA-C-N 118.361 1.08 . . . . 0.0 113.529 176.534 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 109.47 -175.18 18.7 Favored Glycine 0 CA--C 1.531 1.08 0 C-N-CA 126.859 2.171 . . . . 0.0 112.782 -164.751 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 6.0 t -72.95 -78.11 0.09 Allowed 'General case' 0 CA--C 1.541 0.614 0 O-C-N 121.857 -0.79 . . . . 0.0 111.661 -174.023 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 71.3 mtp -151.8 129.41 11.49 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 127.238 2.215 . . . . 0.0 107.209 163.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 30.6 mtmm -68.0 -39.39 83.24 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 124.695 1.198 . . . . 0.0 112.698 -174.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -67.89 -45.77 73.51 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 123.676 0.79 . . . . 0.0 111.302 177.716 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 81.2 t80 -56.15 -53.55 55.71 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.556 1.142 . . . . 0.0 111.365 172.426 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 23.3 m -61.38 -32.07 71.98 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-O 118.111 -0.947 . . . . 0.0 113.088 -179.138 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.16 -31.35 69.95 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-N 120.026 1.285 . . . . 0.0 113.042 174.671 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -81.22 -25.49 54.86 Favored Glycine 0 CA--C 1.532 1.118 0 O-C-N 121.57 -0.706 . . . . 0.0 114.339 175.104 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 97.3 mm-40 -81.82 -48.01 12.12 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 117.817 0.809 . . . . 0.0 111.465 172.678 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 20.4 m -131.6 144.71 51.26 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 125.397 1.479 . . . . 0.0 111.746 -158.336 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 27.5 mmm180 -135.07 153.59 51.99 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 113.044 0.757 . . . . 0.0 113.044 -170.102 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 74.75 149.84 2.03 Favored Glycine 0 CA--C 1.532 1.118 0 CA-C-N 115.525 -0.761 . . . . 0.0 111.33 -162.529 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 53.7 tptt -55.42 -39.35 70.14 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 125.522 1.529 . . . . 0.0 112.473 -176.215 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 5.3 p -78.73 -34.29 17.32 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 N-CA-C 113.495 0.924 . . . . 0.0 113.495 -174.069 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.4 t -72.63 -42.26 64.62 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 118.372 0.533 . . . . 0.0 111.119 172.532 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -59.27 -42.2 90.68 Favored 'General case' 0 CA--C 1.546 0.816 0 N-CA-C 113.099 0.777 . . . . 0.0 113.099 168.355 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -62.99 -39.8 95.82 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.595 1.158 . . . . 0.0 112.334 175.779 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 17.8 t80 -62.44 -44.01 97.45 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 122.779 0.431 . . . . 0.0 112.056 171.226 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 36.6 t -64.73 -24.67 67.64 Favored 'General case' 0 N--CA 1.471 0.593 0 O-C-N 121.315 -0.865 . . . . 0.0 112.243 177.652 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.0 mp -81.17 -2.04 46.98 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 125.573 1.549 . . . . 0.0 114.754 172.621 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 51.0 mtmt -122.36 -19.48 6.43 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 125.434 1.493 . . . . 0.0 114.06 172.761 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 79.7 m-70 -137.69 1.87 2.37 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 125.33 1.452 . . . . 0.0 114.207 -169.393 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 4.2 t 45.55 35.57 2.11 Favored 'General case' 0 CA--C 1.548 0.901 0 N-CA-C 116.204 1.928 . . . . 0.0 116.204 -177.5 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 6.5 ptpp? -151.71 165.3 34.83 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 126.638 1.975 . . . . 0.0 110.477 173.331 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 29.7 m -76.33 148.18 37.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 117.603 0.183 . . . . 0.0 111.462 176.3 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 18.7 tt -59.31 138.6 88.65 Favored Pre-proline 0 CA--C 1.546 0.806 0 C-N-CA 124.137 0.975 . . . . 0.0 113.174 -169.574 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_exo -62.26 155.33 57.48 Favored 'Trans proline' 0 CA--C 1.536 0.608 0 C-N-CA 123.15 2.567 . . . . 0.0 115.144 178.647 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 13.8 ptm180 . . . . . 0 C--O 1.254 1.304 0 C-N-CA 126.258 1.823 . . . . 0.0 113.19 172.363 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.913 0 N-CA-C 110.215 -1.154 . . . . 0.0 110.215 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 77.2 p 54.96 111.75 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 127.265 2.226 . . . . 0.0 114.93 -170.756 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 71.45 -78.17 0.59 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 120.93 -1.106 . . . . 0.0 112.983 -177.666 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.2 m -126.98 -80.65 0.6 Allowed 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.644 1.577 . . . . 0.0 110.12 167.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 98.1 mtp -148.5 137.31 21.58 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 119.337 0.971 . . . . 0.0 110.942 173.107 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 45.2 mtmt -56.98 -45.34 82.98 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 125.206 1.402 . . . . 0.0 111.866 178.785 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 26.9 mp0 -69.45 -42.65 74.65 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 124.259 1.024 . . . . 0.0 111.288 -175.303 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 83.2 t80 -61.66 -50.37 72.8 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 124.603 1.161 . . . . 0.0 111.05 175.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 50.9 m -63.26 -34.18 77.1 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.101 0.96 . . . . 0.0 112.974 178.472 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.35 -19.76 63.02 Favored 'General case' 0 CA--C 1.546 0.798 0 N-CA-C 113.597 0.962 . . . . 0.0 113.597 176.124 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -87.11 -34.36 10.87 Favored Glycine 0 CA--C 1.535 1.334 0 C-N-CA 124.856 1.217 . . . . 0.0 113.063 168.884 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 15.3 mm-40 -71.08 -38.05 72.45 Favored 'General case' 0 CA--C 1.538 0.511 0 O-C-N 121.504 -0.998 . . . . 0.0 112.984 176.391 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.407 ' SG ' ' HB3' ' A' ' 18' ' ' SER . 0.1 OUTLIER -150.63 150.79 31.6 Favored 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 113.161 0.8 . . . . 0.0 113.161 -160.287 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 10.7 ptp85 -144.05 152.05 40.48 Favored 'General case' 0 N--CA 1.482 1.155 0 N-CA-C 115.162 1.541 . . . . 0.0 115.162 -179.232 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 92.28 143.99 13.25 Favored Glycine 0 CA--C 1.535 1.34 0 C-N-CA 124.928 1.251 . . . . 0.0 110.028 -157.336 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 30.7 mmmt -63.66 -36.04 82.53 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 118.019 0.91 . . . . 0.0 112.533 -170.676 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 14.2 t -79.08 -34.23 16.46 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 C-N-CA 124.513 1.125 . . . . 0.0 110.933 178.885 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.407 ' HB3' ' SG ' ' A' ' 13' ' ' CYS . 2.7 m -62.89 -46.78 86.25 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 124.083 0.953 . . . . 0.0 111.308 172.764 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -65.77 -38.97 90.49 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 113.512 0.93 . . . . 0.0 113.512 169.848 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -59.22 -41.25 88.18 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 120.123 1.328 . . . . 0.0 110.749 174.618 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 16.1 t80 -58.6 -39.04 79.29 Favored 'General case' 0 CA--C 1.538 0.51 0 O-C-N 121.472 -0.768 . . . . 0.0 112.253 174.279 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 35.1 t -72.5 -30.9 64.92 Favored 'General case' 0 CA--C 1.538 0.495 0 O-C-N 121.148 -0.97 . . . . 0.0 112.503 175.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 7.0 mp -74.57 -14.65 60.82 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 124.9 1.28 . . . . 0.0 113.854 170.165 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 47.1 mmtm -91.57 -31.03 16.07 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 125.26 1.424 . . . . 0.0 112.736 167.421 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.412 ' O ' ' HE3' ' A' ' 27' ' ' LYS . 98.5 m-70 -137.24 3.06 2.58 Favored 'General case' 0 N--CA 1.482 1.138 0 N-CA-C 117.274 2.324 . . . . 0.0 117.274 -162.264 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 68.5 m 58.05 18.79 5.43 Favored 'General case' 0 CA--C 1.552 1.029 0 CA-C-N 121.924 2.147 . . . . 0.0 115.755 -176.786 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.412 ' HE3' ' O ' ' A' ' 25' ' ' HIS . 10.2 ptpt -146.2 156.36 43.35 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 126.845 2.058 . . . . 0.0 111.557 -179.011 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 19.7 t -73.17 162.15 29.75 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-O 121.972 0.892 . . . . 0.0 111.946 176.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 16.9 tt -78.96 139.71 57.44 Favored Pre-proline 0 CA--C 1.548 0.903 0 C-N-CA 124.319 1.048 . . . . 0.0 111.87 -176.12 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo -62.84 145.21 94.61 Favored 'Trans proline' 0 CA--C 1.535 0.573 0 C-N-CA 123.13 2.553 . . . . 0.0 113.225 169.752 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 22.1 ptt-85 . . . . . 0 C--O 1.251 1.149 0 C-N-CA 125.5 1.52 . . . . 0.0 112.824 172.582 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.887 0 N-CA-C 109.661 -1.376 . . . . 0.0 109.661 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.3 m -72.22 108.45 5.39 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 118.348 1.074 . . . . 0.0 109.563 173.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 69.88 -94.87 0.45 Allowed Glycine 0 CA--C 1.532 1.107 0 O-C-N 121.576 -0.702 . . . . 0.0 111.642 -167.317 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.3 m -109.52 -96.26 0.4 Allowed 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 124.7 1.2 . . . . 0.0 109.142 160.312 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 67.0 mtm -150.6 144.82 25.51 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 124.867 1.267 . . . . 0.0 110.953 165.484 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -57.1 -45.17 83.6 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.297 1.039 . . . . 0.0 111.208 167.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -62.47 -32.99 73.97 Favored 'General case' 0 N--CA 1.477 0.912 0 N-CA-C 114.509 1.3 . . . . 0.0 114.509 -175.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 45.5 t80 -75.3 -53.81 8.14 Favored 'General case' 0 C--O 1.237 0.446 0 C-N-CA 123.486 0.715 . . . . 0.0 110.624 173.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -68.75 -20.51 64.37 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-O 117.875 -1.06 . . . . 0.0 113.44 -174.599 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.31 -17.73 55.1 Favored 'General case' 0 CA--C 1.546 0.817 0 CA-C-N 120.233 1.379 . . . . 0.0 113.875 171.258 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -90.19 -11.55 62.81 Favored Glycine 0 CA--C 1.54 1.62 0 CA-C-N 119.296 0.953 . . . . 0.0 114.895 170.84 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 72.7 mm-40 -116.27 -45.82 2.82 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-N 118.949 1.374 . . . . 0.0 112.608 -172.083 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 14.5 m -127.47 135.65 50.69 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 127.009 2.124 . . . . 0.0 110.044 -165.457 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 77.1 mtt85 -137.26 158.4 44.5 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 115.371 1.619 . . . . 0.0 115.371 -171.827 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 77.06 149.38 3.27 Favored Glycine 0 CA--C 1.532 1.115 0 CA-C-N 114.664 -1.153 . . . . 0.0 111.121 -160.489 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 39.5 ttmt -55.71 -34.45 65.12 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 124.922 1.289 . . . . 0.0 112.748 -174.443 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 47.2 t -81.15 -38.41 16.62 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 C-N-CA 124.233 1.013 . . . . 0.0 113.068 -173.292 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 10.8 t -67.95 -43.69 78.51 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 123.884 0.874 . . . . 0.0 110.944 172.085 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -61.89 -37.37 84.32 Favored 'General case' 0 CA--C 1.549 0.934 0 N-CA-C 113.496 0.925 . . . . 0.0 113.496 168.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -67.21 -35.42 79.57 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-N 119.86 1.209 . . . . 0.0 112.397 174.386 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 51.5 t80 -64.47 -39.8 94.48 Favored 'General case' 0 N--CA 1.47 0.568 0 O-C-N 121.276 -0.89 . . . . 0.0 112.024 168.376 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 41.3 t -62.79 -34.47 77.33 Favored 'General case' 0 N--CA 1.473 0.724 0 O-C-N 121.199 -0.938 . . . . 0.0 111.609 175.593 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.4 mp -67.67 -6.44 20.62 Favored 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 115.111 1.523 . . . . 0.0 115.111 172.78 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 11.0 mttm -115.04 -23.36 9.09 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 124.87 1.268 . . . . 0.0 112.43 172.112 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 53.4 m80 -140.86 2.05 1.73 Allowed 'General case' 0 CA--C 1.545 0.773 0 N-CA-C 117.037 2.236 . . . . 0.0 117.037 -163.843 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 73.2 m 55.39 15.46 1.41 Allowed 'General case' 0 CA--C 1.556 1.176 0 N-CA-C 116.68 2.104 . . . . 0.0 116.68 178.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -130.66 168.13 17.64 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 127.935 2.494 . . . . 0.0 110.24 175.248 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 21.7 m -73.59 167.63 20.94 Favored 'General case' 0 CA--C 1.543 0.695 0 O-C-N 122.342 -0.224 . . . . 0.0 110.966 167.879 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 19.9 tt -78.82 132.32 64.74 Favored Pre-proline 0 CA--C 1.549 0.934 0 CA-C-O 118.116 -0.945 . . . . 0.0 112.239 -177.14 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_exo -58.53 106.51 0.28 Allowed 'Trans proline' 0 CA--C 1.541 0.867 0 C-N-CA 123.487 2.791 . . . . 0.0 115.071 -173.081 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 91.9 mtt180 . . . . . 0 C--O 1.25 1.092 0 C-N-CA 126.992 2.117 . . . . 0.0 111.135 -177.276 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.546 0.812 0 N-CA-C 107.634 -1.247 . . . . 0.0 107.634 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 50.5 mtt -138.25 143.41 40.08 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.493 1.517 . . . . 0.0 107.412 145.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 32.6 ttpt -65.81 -23.54 66.72 Favored 'General case' 0 N--CA 1.481 1.095 0 CA-C-N 119.776 1.171 . . . . 0.0 113.039 -178.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 24.1 mp0 -68.6 -57.28 5.96 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.802 1.641 . . . . 0.0 110.843 170.51 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 67.4 t80 -53.33 -47.35 69.38 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 125.119 1.368 . . . . 0.0 111.831 177.021 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 80.7 m -63.5 -32.45 73.9 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-O 117.98 -1.01 . . . . 0.0 113.285 -176.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -82.72 -23.9 33.84 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 120.223 1.374 . . . . 0.0 113.697 173.199 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -75.75 -10.39 84.89 Favored Glycine 0 CA--C 1.536 1.404 0 C-N-CA 125.384 1.468 . . . . 0.0 114.834 171.322 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 64.8 mm-40 -122.16 -39.43 2.59 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-N 118.786 1.293 . . . . 0.0 114.09 178.354 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.422 ' SG ' ' HB3' ' A' ' 18' ' ' SER . 10.4 t -129.61 153.72 47.8 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.561 1.145 . . . . 0.0 111.652 -169.312 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 28.6 mmm180 -132.77 138.48 47.17 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 116.04 1.867 . . . . 0.0 116.04 -164.297 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 88.65 153.69 27.23 Favored Glycine 0 CA--C 1.531 1.033 0 C-N-CA 124.985 1.279 . . . . 0.0 111.942 -173.012 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -57.5 -43.14 83.94 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.974 1.31 . . . . 0.0 112.027 -167.445 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 39.7 t -80.77 -35.37 14.73 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 C-N-CA 124.754 1.222 . . . . 0.0 111.505 -173.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.422 ' HB3' ' SG ' ' A' ' 13' ' ' CYS . 1.5 m -65.03 -49.87 68.45 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 124.713 1.205 . . . . 0.0 111.107 173.171 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 81.5 mt-30 -58.61 -39.08 79.42 Favored 'General case' 0 CA--C 1.549 0.928 0 N-CA-C 112.965 0.728 . . . . 0.0 112.965 169.274 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -64.92 -36.16 83.47 Favored 'General case' 0 CA--C 1.541 0.621 0 O-C-N 120.54 -1.35 . . . . 0.0 112.72 174.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 18.8 t80 -62.36 -38.33 89.13 Favored 'General case' 0 CA--C 1.538 0.486 0 O-C-N 121.537 -0.727 . . . . 0.0 111.379 171.573 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 41.1 t -67.92 -33.46 74.72 Favored 'General case' 0 CA--C 1.542 0.649 0 O-C-N 121.268 -0.895 . . . . 0.0 112.42 175.752 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.3 mp -62.97 -20.36 65.18 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.329 1.452 . . . . 0.0 114.581 170.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 54.0 mttp -103.06 -35.61 8.46 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 126.053 1.741 . . . . 0.0 112.967 179.042 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -128.88 2.24 5.36 Favored 'General case' 0 N--CA 1.477 0.92 0 N-CA-C 114.755 1.391 . . . . 0.0 114.755 -163.032 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 91.2 m 53.69 27.03 6.4 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 125.563 1.545 . . . . 0.0 114.621 -177.535 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.3 ptmm? -148.16 164.97 32.3 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 125.976 1.71 . . . . 0.0 111.32 178.548 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.8 t -73.6 159.29 33.31 Favored 'General case' 0 CA--C 1.542 0.662 0 CA-C-O 121.449 0.642 . . . . 0.0 111.815 172.41 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 19.4 tt . . . . . 0 CA--C 1.544 0.744 0 C-N-CA 124.546 1.138 . . . . 0.0 111.558 -172.488 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 23.4 t . . . . . 0 CA--C 1.547 0.858 0 N-CA-C 107.104 -1.443 . . . . 0.0 107.104 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 64.9 mtt -150.67 138.34 19.78 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 126.953 2.101 . . . . 0.0 108.043 160.258 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 30.3 ttmt -60.61 -45.54 93.65 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.253 1.021 . . . . 0.0 113.221 -171.668 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 80.1 mt-10 -70.94 -42.76 69.39 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.62 1.168 . . . . 0.0 111.49 -177.713 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 66.2 t80 -58.41 -43.24 88.54 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 125.281 1.432 . . . . 0.0 111.682 176.51 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 52.6 m -65.76 -43.68 88.17 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 124.339 1.056 . . . . 0.0 112.557 176.622 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.46 -26.73 68.67 Favored 'General case' 0 CA--C 1.547 0.83 0 CA-C-N 118.505 0.593 . . . . 0.0 112.094 170.158 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -75.08 -8.85 83.7 Favored Glycine 0 CA--C 1.539 1.561 0 C-N-CA 125.104 1.335 . . . . 0.0 116.074 172.047 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -132.27 -9.89 3.31 Favored 'General case' 0 N--CA 1.481 1.078 0 N-CA-C 116.894 2.183 . . . . 0.0 116.894 176.129 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -145.96 155.17 42.66 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-N 120.251 1.387 . . . . 0.0 111.714 -175.819 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 9.7 ptp180 -153.77 148.75 26.71 Favored 'General case' 0 N--CA 1.482 1.159 0 N-CA-C 115.739 1.755 . . . . 0.0 115.739 -174.307 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 90.66 140.29 8.51 Favored Glycine 0 CA--C 1.534 1.23 0 N-CA-C 109.465 -1.454 . . . . 0.0 109.465 -153.215 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.4 tmtm? -66.84 -35.14 79.36 Favored 'General case' 0 N--CA 1.477 0.914 0 CA-C-N 118.414 1.107 . . . . 0.0 112.4 -169.239 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.7 p -71.96 -31.76 41.68 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 C-N-CA 123.728 0.811 . . . . 0.0 112.564 175.154 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.8 m -72.55 -45.45 59.23 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 125.855 1.662 . . . . 0.0 110.429 178.478 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 79.7 mt-30 -63.74 -35.31 80.15 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 123.631 0.772 . . . . 0.0 112.307 168.46 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -64.15 -39.89 94.97 Favored 'General case' 0 N--CA 1.474 0.757 0 O-C-N 120.956 -1.09 . . . . 0.0 112.3 172.412 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 10.0 t80 -56.14 -37.99 70.22 Favored 'General case' 0 N--CA 1.47 0.527 0 O-C-N 121.436 -0.79 . . . . 0.0 111.642 170.565 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 49.8 t -71.09 -33.18 69.94 Favored 'General case' 0 CA--C 1.539 0.55 0 O-C-N 120.632 -1.293 . . . . 0.0 112.44 177.56 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 7.6 mp -70.9 -18.7 62.66 Favored 'General case' 0 CA--C 1.546 0.818 0 N-CA-C 114.327 1.232 . . . . 0.0 114.327 169.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 56.9 mttp -101.93 -16.83 16.4 Favored 'General case' 0 N--CA 1.48 1.032 0 N-CA-C 115.026 1.491 . . . . 0.0 115.026 175.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 68.2 m-70 -139.67 -10.12 1.21 Allowed 'General case' 0 N--CA 1.479 0.989 0 N-CA-C 115.567 1.692 . . . . 0.0 115.567 -170.15 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . 0.25 2.8 t 54.55 34.9 22.23 Favored 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 125.72 1.608 . . . . 0.0 113.875 -171.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 46.9 mttp -143.99 159.26 42.9 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 129.222 3.009 . . . . 0.0 109.814 -178.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 10.8 t -76.77 161.83 28.16 Favored 'General case' 0 CA--C 1.545 0.753 0 CA-C-O 121.949 0.88 . . . . 0.0 111.42 164.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 19.1 tt . . . . . 0 CA--C 1.545 0.775 0 C-N-CA 125.509 1.524 . . . . 0.0 112.076 -173.323 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 7.1 t . . . . . 0 CA--C 1.544 0.747 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 83.7 mtp -142.54 130.77 22.1 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 125.22 1.408 . . . . 0.0 108.372 157.206 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 21.8 ttpp -66.95 -34.72 78.4 Favored 'General case' 0 N--CA 1.472 0.628 0 O-C-N 121.635 -0.666 . . . . 0.0 112.648 -174.506 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -69.89 -30.99 68.57 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 113.169 0.803 . . . . 0.0 113.169 177.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 92.7 t80 -67.5 -53.3 29.85 Favored 'General case' 0 CA--C 1.531 0.23 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 169.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 84.7 m -65.03 -38.89 92.38 Favored 'General case' 0 CA--C 1.535 0.383 0 N-CA-C 114.255 1.205 . . . . 0.0 114.255 -175.489 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -74.49 -19.16 60.48 Favored 'General case' 0 CA--C 1.54 0.575 0 N-CA-C 113.468 0.914 . . . . 0.0 113.468 174.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -81.93 -49.88 5.15 Favored Glycine 0 CA--C 1.529 0.949 0 C-N-CA 123.58 0.609 . . . . 0.0 112.348 174.031 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 10.8 mm100 -83.95 -18.36 37.53 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 125.037 1.335 . . . . 0.0 114.448 -175.033 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.7 t -139.26 148.69 43.38 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 124.551 1.14 . . . . 0.0 111.782 -173.399 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.82 151.35 41.06 Favored 'General case' 0 N--CA 1.479 1.013 0 N-CA-C 113.734 1.013 . . . . 0.0 113.734 -171.136 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 89.09 139.49 7.13 Favored Glycine 0 CA--C 1.533 1.194 0 C-N-CA 124.919 1.247 . . . . 0.0 110.171 -157.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 58.1 tttm -60.33 -39.05 85.71 Favored 'General case' 0 N--CA 1.479 0.994 0 CA-C-N 118.159 0.979 . . . . 0.0 112.224 -169.534 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 38.7 t -83.31 -26.56 7.77 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.502 0 C-N-CA 123.95 0.9 . . . . 0.0 111.852 -177.625 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.3 m -65.51 -49.04 70.46 Favored 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 124.543 1.137 . . . . 0.0 111.203 168.463 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -58.31 -40.34 81.77 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 122.861 0.464 . . . . 0.0 112.053 171.354 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -65.63 -39.47 91.49 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 112.96 0.726 . . . . 0.0 112.96 174.603 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 23.2 t80 -57.44 -35.68 70.42 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 120.006 1.275 . . . . 0.0 111.538 173.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 44.8 t -73.63 -31.34 63.47 Favored 'General case' 0 CA--C 1.535 0.375 0 O-C-N 121.492 -0.755 . . . . 0.0 112.378 176.418 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 6.7 mp -63.25 -44.77 94.26 Favored 'General case' 0 CA--C 1.544 0.712 0 O-C-N 120.912 -1.118 . . . . 0.0 111.121 165.744 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 48.4 mmtm -65.12 -35.82 82.32 Favored 'General case' 0 N--CA 1.474 0.755 0 O-C-N 121.033 -1.042 . . . . 0.0 113.715 178.014 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 89.7 m-70 -133.83 -4.43 2.84 Favored 'General case' 0 N--CA 1.484 1.232 0 N-CA-C 116.596 2.072 . . . . 0.0 116.596 -163.429 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . 0.268 1.8 t 50.71 36.07 13.33 Favored 'General case' 0 CA--C 1.552 1.037 0 N-CA-C 115.659 1.726 . . . . 0.0 115.659 -171.068 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.4 ptpt -145.22 158.0 43.93 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 127.013 2.125 . . . . 0.0 110.128 167.59 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 9.0 t -71.13 161.14 31.61 Favored 'General case' 0 CA--C 1.544 0.717 0 CA-C-O 121.413 0.625 . . . . 0.0 111.793 170.122 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 20.7 tt . . . . . 0 CA--C 1.548 0.891 0 C-N-CA 125.195 1.398 . . . . 0.0 112.853 -169.482 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 18.0 t . . . . . 0 N--CA 1.47 0.553 0 CA-C-O 119.93 -0.081 . . . . 0.0 110.95 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 94.3 mtp -139.41 115.31 10.19 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 126.476 1.91 . . . . 0.0 107.858 168.078 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 27.8 ttpp -57.43 -43.6 83.99 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 125.329 1.451 . . . . 0.0 112.938 -171.237 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -72.84 -42.69 63.5 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.382 0.673 . . . . 0.0 111.372 -176.638 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 79.0 t80 -56.38 -51.83 66.86 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 124.95 1.3 . . . . 0.0 111.128 176.273 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 66.9 m -67.48 -38.04 83.78 Favored 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 112.858 0.688 . . . . 0.0 112.858 -179.347 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.65 -26.41 65.31 Favored 'General case' 0 CA--C 1.547 0.854 0 N-CA-C 113.766 1.024 . . . . 0.0 113.766 175.77 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -94.14 -39.54 4.8 Favored Glycine 0 CA--C 1.534 1.263 0 C-N-CA 124.994 1.283 . . . . 0.0 114.963 -176.676 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 97.2 mm-40 -87.79 -18.47 29.29 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-N 119.106 1.453 . . . . 0.0 113.674 178.168 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.7 t -128.82 146.84 50.81 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.87 1.268 . . . . 0.0 111.923 -178.444 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 14.4 mmt85 -141.8 148.58 39.12 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 114.655 1.354 . . . . 0.0 114.655 -171.346 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 88.15 144.15 9.43 Favored Glycine 0 CA--C 1.531 1.078 0 N-CA-C 110.022 -1.231 . . . . 0.0 110.022 -159.486 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 26.8 tptp -53.98 -47.52 71.31 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 125.46 1.504 . . . . 0.0 112.412 -175.01 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 21.8 t -78.0 -33.62 18.49 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.574 0 C-N-CA 125.391 1.476 . . . . 0.0 111.097 -174.278 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.8 m -62.62 -50.33 71.67 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 124.381 1.072 . . . . 0.0 111.496 171.032 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -59.16 -41.77 89.14 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 112.438 0.532 . . . . 0.0 112.438 172.356 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -64.4 -39.82 94.6 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.334 0.653 . . . . 0.0 112.472 177.056 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 23.3 t80 -55.19 -39.06 69.16 Favored 'General case' 0 N--CA 1.474 0.756 0 O-C-N 121.263 -0.898 . . . . 0.0 111.442 170.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 43.0 t -73.38 -29.57 62.7 Favored 'General case' 0 CA--C 1.534 0.337 0 O-C-N 121.421 -0.8 . . . . 0.0 112.486 177.248 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.5 mp -67.37 -39.01 85.64 Favored 'General case' 0 CA--C 1.546 0.8 0 O-C-N 120.624 -1.298 . . . . 0.0 111.793 168.688 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 40.5 mmtm -71.24 -36.69 71.88 Favored 'General case' 0 N--CA 1.481 1.093 0 O-C-N 120.705 -1.247 . . . . 0.0 113.858 174.234 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 80.5 m-70 -126.26 -5.1 6.67 Favored 'General case' 0 N--CA 1.478 0.945 0 N-CA-C 114.99 1.478 . . . . 0.0 114.99 -161.606 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 2.0 t 54.76 16.28 1.36 Allowed 'General case' 0 CA--C 1.55 0.979 0 N-CA-C 116.409 2.003 . . . . 0.0 116.409 -171.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.0 ptpp? -131.51 156.97 44.77 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 126.993 2.117 . . . . 0.0 110.692 172.578 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 15.5 t -75.45 165.24 25.42 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-O 122.258 1.028 . . . . 0.0 111.522 174.394 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 19.1 tt . . . . . 0 CA--C 1.549 0.922 0 C-N-CA 125.495 1.518 . . . . 0.0 113.235 -165.062 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 6.8 t . . . . . 0 CA--C 1.543 0.71 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 64.5 mtt -136.18 135.16 38.92 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.743 1.217 . . . . 0.0 107.845 139.412 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 25.4 ttpp -59.23 -43.14 92.34 Favored 'General case' 0 N--CA 1.479 0.988 0 CA-C-N 119.345 0.975 . . . . 0.0 113.518 -172.378 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 6.7 mp0 -65.88 -45.95 80.18 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 123.329 0.652 . . . . 0.0 111.598 177.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 81.0 t80 -60.18 -43.36 95.93 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.643 1.177 . . . . 0.0 111.969 177.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 17.3 m -59.18 -25.99 64.41 Favored 'General case' 0 CA--C 1.538 0.486 0 N-CA-C 113.81 1.041 . . . . 0.0 113.81 177.069 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -73.79 -14.33 61.09 Favored 'General case' 0 CA--C 1.547 0.849 0 N-CA-C 114.315 1.228 . . . . 0.0 114.315 176.459 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -98.06 -35.81 4.93 Favored Glycine 0 CA--C 1.537 1.406 0 C-N-CA 124.933 1.254 . . . . 0.0 113.205 169.269 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 85.6 mm-40 -72.78 -23.66 60.83 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 118.55 1.175 . . . . 0.0 113.503 176.328 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.441 ' SG ' ' HB3' ' A' ' 18' ' ' SER . 3.9 t -152.99 152.39 31.36 Favored 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 114.174 1.176 . . . . 0.0 114.174 -173.369 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 29.4 mmm180 -135.15 148.5 49.75 Favored 'General case' 0 N--CA 1.48 1.061 0 N-CA-C 114.139 1.163 . . . . 0.0 114.139 -175.437 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 90.3 145.86 14.38 Favored Glycine 0 CA--C 1.531 1.058 0 C-N-CA 125.403 1.478 . . . . 0.0 110.741 -165.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 60.2 tttm -61.66 -43.56 98.62 Favored 'General case' 0 N--CA 1.476 0.852 0 CA-C-N 118.357 1.078 . . . . 0.0 112.62 -170.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 37.9 t -77.7 -33.08 18.59 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 C-N-CA 124.733 1.213 . . . . 0.0 111.284 -176.661 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.441 ' HB3' ' SG ' ' A' ' 13' ' ' CYS . 5.2 m -64.97 -48.13 75.12 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 124.927 1.291 . . . . 0.0 111.134 171.295 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -60.15 -37.64 80.73 Favored 'General case' 0 CA--C 1.545 0.765 0 O-C-N 121.17 -0.956 . . . . 0.0 113.324 168.486 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -62.7 -35.37 79.48 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-N 119.933 1.242 . . . . 0.0 111.936 172.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 16.6 t80 -62.57 -39.91 95.17 Favored 'General case' 0 N--CA 1.471 0.603 0 O-C-N 121.348 -0.845 . . . . 0.0 112.131 170.276 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 48.8 t -68.22 -32.49 72.73 Favored 'General case' 0 CA--C 1.54 0.563 0 O-C-N 121.41 -0.806 . . . . 0.0 111.97 176.345 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.6 mp -63.85 -30.08 71.2 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.903 1.281 . . . . 0.0 113.505 170.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -80.23 -47.01 15.29 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.513 1.125 . . . . 0.0 112.595 170.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 91.8 m-70 -124.7 0.67 8.13 Favored 'General case' 0 N--CA 1.48 1.061 0 N-CA-C 116.104 1.89 . . . . 0.0 116.104 -152.726 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 81.3 m 59.48 13.37 3.23 Favored 'General case' 0 N--CA 1.479 1.009 0 N-CA-C 116.564 2.061 . . . . 0.0 116.564 -177.08 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -137.9 167.74 21.13 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 127.139 2.176 . . . . 0.0 112.03 178.542 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 6.0 t -88.04 159.16 18.38 Favored 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 113.259 0.837 . . . . 0.0 113.259 173.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 14.6 tt . . . . . 0 CA--C 1.547 0.864 0 C-N-CA 124.779 1.232 . . . . 0.0 112.176 -168.201 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.538 0.489 0 N-CA-C 107.062 -1.458 . . . . 0.0 107.062 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 56.0 mtt -147.21 141.56 26.33 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 125.029 1.332 . . . . 0.0 109.441 154.422 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -53.49 -41.93 66.76 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 125.054 1.342 . . . . 0.0 111.501 172.701 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 29.7 mp0 -64.3 -51.36 63.89 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 126.435 1.894 . . . . 0.0 112.216 -178.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 69.9 t80 -57.75 -48.4 79.75 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 125.231 1.412 . . . . 0.0 110.756 174.52 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 63.4 m -60.12 -32.52 71.07 Favored 'General case' 0 CA--C 1.534 0.353 0 N-CA-C 113.12 0.785 . . . . 0.0 113.12 177.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -81.54 -20.96 38.92 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 114.581 1.326 . . . . 0.0 114.581 174.62 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -80.16 -33.11 33.46 Favored Glycine 0 CA--C 1.535 1.31 0 C-N-CA 124.309 0.956 . . . . 0.0 113.62 171.486 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 -102.97 -11.38 18.24 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 125.109 1.364 . . . . 0.0 114.202 -174.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.2 t -148.43 151.81 35.88 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.787 1.235 . . . . 0.0 112.391 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 83.7 mtm-85 -142.17 153.46 44.07 Favored 'General case' 0 N--CA 1.48 1.069 0 N-CA-C 114.982 1.475 . . . . 0.0 114.982 -178.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 90.47 140.47 8.49 Favored Glycine 0 CA--C 1.531 1.032 0 N-CA-C 110.151 -1.18 . . . . 0.0 110.151 -160.026 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 32.5 ttmt -63.45 -37.46 87.37 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 124.47 1.108 . . . . 0.0 112.843 -168.695 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 43.2 t -79.9 -33.07 14.42 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 C-N-CA 125.448 1.499 . . . . 0.0 111.543 178.224 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.4 m -63.76 -47.29 81.61 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 124.593 1.157 . . . . 0.0 111.045 173.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -63.26 -34.85 78.57 Favored 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 113.51 0.93 . . . . 0.0 113.51 168.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -68.51 -34.85 76.61 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-N 119.726 1.148 . . . . 0.0 111.991 176.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 69.0 t80 -57.93 -39.75 78.78 Favored 'General case' 0 N--CA 1.477 0.888 0 O-C-N 120.558 -1.339 . . . . 0.0 112.546 166.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 52.6 t -67.77 -33.02 74.03 Favored 'General case' 0 CA--C 1.54 0.572 0 O-C-N 121.118 -0.989 . . . . 0.0 112.291 178.195 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.7 mp -64.52 -19.01 65.34 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 124.461 1.104 . . . . 0.0 113.83 168.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 84.7 mttt -94.91 -30.4 14.18 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.578 1.151 . . . . 0.0 113.557 173.484 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 98.0 m-70 -140.95 7.7 2.06 Favored 'General case' 0 N--CA 1.479 1.022 0 N-CA-C 116.748 2.129 . . . . 0.0 116.748 -163.434 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 8.2 t 52.5 28.72 6.23 Favored 'General case' 0 CA--C 1.555 1.154 0 N-CA-C 115.789 1.774 . . . . 0.0 115.789 175.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -144.97 160.86 40.67 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 128.373 2.669 . . . . 0.0 109.171 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 11.8 t -76.01 157.4 33.07 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 119.551 1.068 . . . . 0.0 111.234 170.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 18.7 tt . . . . . 0 CA--C 1.544 0.721 0 C-N-CA 124.364 1.066 . . . . 0.0 112.222 -170.236 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.542 0.638 0 N-CA-C 109.581 -0.526 . . . . 0.0 109.581 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 65.8 mtt -149.3 147.69 28.65 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 125.425 1.49 . . . . 0.0 109.496 172.137 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 22.0 mtmm -60.2 -49.02 79.29 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.782 0.833 . . . . 0.0 111.236 175.306 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 54.5 mp0 -63.12 -41.18 99.29 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.075 0.95 . . . . 0.0 111.875 -176.096 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 81.1 t80 -55.42 -47.67 75.58 Favored 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 124.753 1.221 . . . . 0.0 112.129 179.077 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.7 m -86.07 -22.41 27.18 Favored 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 114.405 1.261 . . . . 0.0 114.405 -177.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.8 -26.48 68.13 Favored 'General case' 0 CA--C 1.554 1.097 0 CA-C-N 120.41 1.459 . . . . 0.0 112.062 160.458 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -80.59 7.4 58.17 Favored Glycine 0 CA--C 1.54 1.602 0 C-N-CA 126.287 1.898 . . . . 0.0 114.974 168.358 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 80.7 mm-40 -122.95 -57.65 1.7 Allowed 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.537 1.535 . . . . 0.0 111.462 174.089 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 96.2 m -150.08 165.03 33.99 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 125.393 1.477 . . . . 0.0 113.356 -169.242 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 19.8 mtp-105 -130.22 -179.65 5.37 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 125.176 1.39 . . . . 0.0 112.1 172.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 90.36 123.94 2.71 Favored Glycine 0 CA--C 1.522 0.481 0 N-CA-C 107.967 -2.053 . . . . 0.0 107.967 -161.231 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 37.1 tttp -53.95 -34.53 59.94 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 124.934 1.294 . . . . 0.0 112.505 -174.685 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 5.6 p -77.95 -29.44 15.79 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 C-N-CA 124.443 1.097 . . . . 0.0 113.311 178.629 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.6 t -71.82 -44.43 63.93 Favored 'General case' 0 N--CA 1.471 0.618 0 O-C-N 121.508 -0.745 . . . . 0.0 110.347 172.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -62.69 -39.48 94.1 Favored 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 113.159 0.8 . . . . 0.0 113.159 170.369 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -68.92 -34.83 76.03 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 119.858 1.208 . . . . 0.0 112.878 176.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 49.3 t80 -62.45 -40.39 96.47 Favored 'General case' 0 N--CA 1.471 0.587 0 O-C-N 120.997 -1.064 . . . . 0.0 111.773 169.421 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 43.9 t -60.93 -35.0 75.56 Favored 'General case' 0 N--CA 1.471 0.583 0 O-C-N 121.079 -1.013 . . . . 0.0 111.86 174.074 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 6.2 mp -69.36 -3.22 13.27 Favored 'General case' 0 CA--C 1.548 0.897 0 N-CA-C 115.024 1.49 . . . . 0.0 115.024 174.032 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 44.7 mmtm -111.04 -24.17 10.5 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 126.2 1.8 . . . . 0.0 114.133 163.398 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -135.83 -3.17 2.31 Favored 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 117.421 2.378 . . . . 0.0 117.421 -161.687 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 3.4 t 57.68 22.47 8.39 Favored 'General case' 0 CA--C 1.554 1.101 0 N-CA-C 116.103 1.89 . . . . 0.0 116.103 -177.038 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 16.8 ptpt -143.42 165.65 26.95 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 126.445 1.898 . . . . 0.0 111.172 174.302 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 31.2 m -55.64 155.17 5.9 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 122.459 0.304 . . . . 0.0 111.814 166.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 13.5 tt . . . . . 0 N--CA 1.476 0.864 0 CA-C-O 118.098 -0.953 . . . . 0.0 109.062 166.581 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.1 m . . . . . 0 CA--C 1.546 0.808 0 N-CA-C 112.323 0.49 . . . . 0.0 112.323 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 74.6 mtm -147.87 148.39 30.79 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 125.912 1.685 . . . . 0.0 108.766 170.147 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 55.9 mtmt -61.94 -48.68 79.31 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 123.611 0.764 . . . . 0.0 111.56 -178.667 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 33.7 mp0 -62.13 -40.54 96.28 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 123.712 0.805 . . . . 0.0 111.788 -178.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 66.8 t80 -62.93 -50.46 70.74 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 123.897 0.879 . . . . 0.0 111.601 176.085 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 57.5 m -64.77 -41.03 96.17 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 123.904 0.882 . . . . 0.0 112.419 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.47 -30.41 71.54 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 118.933 0.788 . . . . 0.0 112.777 175.733 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -69.46 -23.85 76.35 Favored Glycine 0 CA--C 1.537 1.439 0 O-C-N 121.423 -0.798 . . . . 0.0 114.556 174.748 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -118.97 -1.3 11.0 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 115.74 1.756 . . . . 0.0 115.74 -177.645 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -154.93 144.17 21.11 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 119.176 0.898 . . . . 0.0 112.421 -174.522 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 20.7 mmt85 -140.54 155.39 46.63 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.703 1.201 . . . . 0.0 114.068 -172.552 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 79.51 146.35 3.75 Favored Glycine 0 CA--C 1.534 1.224 0 N-CA-C 111.346 -0.702 . . . . 0.0 111.346 -162.424 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 64.1 mttm -55.77 -41.96 74.8 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 124.397 1.079 . . . . 0.0 113.273 -171.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.3 p -79.32 -33.54 15.6 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 N-CA-C 112.766 0.654 . . . . 0.0 112.766 -173.598 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -65.91 -47.73 73.8 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 125.006 1.322 . . . . 0.0 110.131 173.622 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -61.38 -40.48 94.48 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 113.277 0.843 . . . . 0.0 113.277 170.509 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -61.57 -39.8 92.46 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 119.14 0.882 . . . . 0.0 112.541 175.633 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 33.5 t80 -59.14 -41.04 87.34 Favored 'General case' 0 CA--C 1.538 0.498 0 O-C-N 122.056 -0.402 . . . . 0.0 111.825 172.163 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 45.5 t -68.01 -27.96 67.0 Favored 'General case' 0 CA--C 1.542 0.672 0 O-C-N 120.714 -1.241 . . . . 0.0 112.033 177.704 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 7.5 mp -78.67 -4.76 50.64 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 125.522 1.529 . . . . 0.0 114.455 170.414 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 57.1 mttp -108.99 -17.85 13.82 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 125.944 1.697 . . . . 0.0 113.564 169.431 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -143.25 -4.56 0.89 Allowed 'General case' 0 N--CA 1.477 0.909 0 N-CA-C 116.881 2.178 . . . . 0.0 116.881 -163.17 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 64.8 m 60.63 16.07 6.27 Favored 'General case' 0 N--CA 1.481 1.078 0 N-CA-C 116.709 2.114 . . . . 0.0 116.709 -175.261 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 17.9 ptpt -139.57 156.93 46.59 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 126.195 1.798 . . . . 0.0 111.802 177.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.7 t -69.7 156.58 38.76 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-O 121.281 0.562 . . . . 0.0 111.7 167.298 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 20.0 tt . . . . . 0 CA--C 1.544 0.732 0 C-N-CA 124.319 1.047 . . . . 0.0 113.011 -164.887 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.538 0.492 0 CA-C-O 120.396 0.141 . . . . 0.0 111.278 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 44.8 mtm -157.7 132.83 8.78 Favored 'General case' 0 C--O 1.239 0.514 0 C-N-CA 128.461 2.704 . . . . 0.0 108.162 163.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 34.0 mtmm -63.79 -44.77 92.36 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 124.639 1.176 . . . . 0.0 111.054 176.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 52.9 mp0 -65.54 -41.04 93.47 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 123.571 0.748 . . . . 0.0 112.241 -177.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 62.2 t80 -61.73 -41.24 97.38 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 126.383 1.873 . . . . 0.0 112.005 179.254 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 42.0 t -73.9 -56.66 4.68 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-O 119.321 -0.371 . . . . 0.0 111.436 174.123 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.68 -30.89 71.73 Favored 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 113.407 0.891 . . . . 0.0 113.407 -171.493 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -73.92 -19.4 79.76 Favored Glycine 0 CA--C 1.534 1.232 0 CA-C-O 119.027 -0.874 . . . . 0.0 114.803 176.538 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 86.4 mm-40 -113.52 -33.0 6.02 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 118.985 1.392 . . . . 0.0 113.411 -175.06 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 86.0 m -130.07 137.27 50.12 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 125.455 1.502 . . . . 0.0 110.963 -171.66 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 78.8 mtm-85 -133.69 168.18 19.16 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 113.69 0.996 . . . . 0.0 113.69 -168.706 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 87.09 134.59 4.14 Favored Glycine 0 CA--C 1.531 1.052 0 C-N-CA 125.082 1.325 . . . . 0.0 110.172 -161.045 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 82.8 tttt -55.34 -30.47 60.32 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 125.519 1.527 . . . . 0.0 112.555 -176.143 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.3 p -76.79 -38.48 29.73 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 N-CA-C 113.071 0.767 . . . . 0.0 113.071 179.433 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 6.3 t -69.9 -44.58 69.42 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 119.366 0.984 . . . . 0.0 109.595 174.532 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 82.5 mt-30 -63.4 -11.01 19.66 Favored 'General case' 0 CA--C 1.551 1.009 0 N-CA-C 116.663 2.098 . . . . 0.0 116.663 170.454 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -93.99 -45.51 7.56 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 125.436 1.494 . . . . 0.0 112.48 168.038 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 15.7 t80 -58.75 -39.79 81.95 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 123.323 0.649 . . . . 0.0 111.499 179.485 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 31.6 p -67.58 -28.29 67.65 Favored 'General case' 0 CA--C 1.534 0.349 0 O-C-N 121.046 -1.033 . . . . 0.0 112.183 178.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.4 mp -78.74 -5.74 54.02 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.179 0.992 . . . . 0.0 113.462 175.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 83.0 mttt -109.63 -18.93 13.36 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 127.0 2.12 . . . . 0.0 112.845 172.652 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -141.66 -5.36 1.05 Allowed 'General case' 0 N--CA 1.481 1.101 0 N-CA-C 117.971 2.582 . . . . 0.0 117.971 -164.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 7.4 t 64.51 -2.71 0.61 Allowed 'General case' 0 N--CA 1.484 1.269 0 CA-C-N 122.516 2.416 . . . . 0.0 115.753 -169.119 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 69.2 mttt -114.09 147.7 38.32 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 125.742 1.617 . . . . 0.0 111.424 -173.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 40.7 m -75.35 145.67 41.5 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-O 120.773 0.32 . . . . 0.0 110.295 164.7 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 20.1 tt . . . . . 0 CA--C 1.549 0.929 0 N-CA-C 114.12 1.155 . . . . 0.0 114.12 -159.245 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.3 m . . . . . 0 CA--C 1.54 0.588 0 N-CA-C 112.217 0.451 . . . . 0.0 112.217 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 72.2 mtm -149.13 137.75 21.08 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.577 1.151 . . . . 0.0 110.825 174.157 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 30.3 tttp -55.84 -39.02 70.84 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 125.379 1.471 . . . . 0.0 112.506 179.466 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 32.8 mp0 -66.75 -36.92 83.58 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.697 1.199 . . . . 0.0 112.975 176.277 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 64.7 t80 -71.11 -42.54 69.14 Favored 'General case' 0 N--CA 1.47 0.545 0 O-C-N 121.323 -0.86 . . . . 0.0 110.906 174.437 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 85.7 m -63.3 -39.82 95.64 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 123.512 0.725 . . . . 0.0 112.517 177.282 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.81 -28.3 62.48 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 118.959 0.799 . . . . 0.0 112.684 170.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -65.35 -46.02 88.18 Favored Glycine 0 CA--C 1.532 1.113 0 O-C-N 121.352 -0.842 . . . . 0.0 112.877 174.541 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 30.5 mm100 -98.07 -43.48 7.02 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.795 1.238 . . . . 0.0 114.298 -173.012 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 3.4 m -100.68 154.74 18.35 Favored 'General case' 0 CA--C 1.536 0.428 0 O-C-N 121.302 -0.874 . . . . 0.0 111.48 -166.341 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -138.52 144.33 39.9 Favored 'General case' 0 N--CA 1.471 0.585 0 N-CA-C 114.097 1.147 . . . . 0.0 114.097 178.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 91.43 140.28 8.95 Favored Glycine 0 CA--C 1.53 1.013 0 C-N-CA 124.808 1.194 . . . . 0.0 110.481 -163.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -62.3 -22.11 65.78 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 124.929 1.292 . . . . 0.0 113.515 -173.685 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 21.9 t -88.8 -37.43 10.15 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 C-N-CA 124.979 1.312 . . . . 0.0 111.269 177.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.6 m -65.61 -48.18 73.13 Favored 'General case' 0 C--O 1.232 0.155 0 C-N-CA 125.448 1.499 . . . . 0.0 111.575 175.638 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 90.7 mt-30 -60.3 -28.23 67.94 Favored 'General case' 0 CA--C 1.546 0.805 0 N-CA-C 113.893 1.071 . . . . 0.0 113.893 170.742 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -82.8 -33.99 27.1 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.263 1.025 . . . . 0.0 113.197 175.457 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 65.7 t80 -60.52 -33.8 73.16 Favored 'General case' 0 N--CA 1.471 0.616 0 O-C-N 120.62 -1.3 . . . . 0.0 111.157 172.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 20.4 t -68.44 -26.37 65.48 Favored 'General case' 0 CA--C 1.547 0.836 0 O-C-N 121.072 -1.017 . . . . 0.0 112.809 174.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.5 mp -78.26 -9.29 59.16 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 126.313 1.845 . . . . 0.0 114.049 169.745 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 58.2 mttp -101.97 -26.35 13.44 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 125.284 1.434 . . . . 0.0 112.453 169.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -140.48 2.54 1.84 Allowed 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 117.345 2.35 . . . . 0.0 117.345 -161.442 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 26.6 m 59.38 9.42 1.44 Allowed 'General case' 0 N--CA 1.482 1.128 0 N-CA-C 116.8 2.148 . . . . 0.0 116.8 -179.565 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.0 pttt -138.03 162.57 33.78 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 126.027 1.731 . . . . 0.0 111.825 172.288 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 68.6 m -73.88 157.79 35.67 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-O 121.649 0.738 . . . . 0.0 112.46 172.058 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 14.5 tt . . . . . 0 CA--C 1.552 1.034 0 C-N-CA 123.749 0.819 . . . . 0.0 112.774 -170.153 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.8 t . . . . . 0 CA--C 1.546 0.799 0 CA-C-O 119.778 -0.153 . . . . 0.0 110.746 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 83.0 mtp -157.38 144.43 18.39 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 127.517 2.327 . . . . 0.0 107.225 158.247 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 85.5 mttt -59.33 -45.22 91.95 Favored 'General case' 0 N--CA 1.48 1.049 0 CA-C-N 119.736 1.153 . . . . 0.0 112.692 -178.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 6.8 mp0 -66.93 -37.29 84.06 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.418 1.087 . . . . 0.0 113.256 179.072 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 84.1 t80 -65.33 -47.85 75.08 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.784 0.834 . . . . 0.0 110.768 177.067 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 92.7 m -65.65 -38.81 90.38 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-O 118.852 -0.594 . . . . 0.0 112.093 177.587 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.32 -33.64 76.18 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 119.157 0.889 . . . . 0.0 113.205 173.648 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -75.32 -47.55 12.59 Favored Glycine 0 CA--C 1.532 1.111 0 C-N-CA 124.689 1.138 . . . . 0.0 113.427 177.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 50.7 mm-40 -81.76 -41.88 20.57 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 118.477 1.139 . . . . 0.0 113.196 -177.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 10.7 m -110.59 167.64 10.07 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.689 1.196 . . . . 0.0 112.642 -169.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 81.3 mmt-85 -134.43 -168.48 2.15 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 124.932 1.293 . . . . 0.0 114.039 -175.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 67.8 6.18 42.6 Favored Glycine 0 CA--C 1.534 1.251 0 C-N-CA 126.159 1.837 . . . . 0.0 117.408 164.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 49.2 tttm 59.39 -30.05 0.04 OUTLIER 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 131.395 3.878 . . . . 0.0 114.639 -168.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 94.8 t -77.1 -42.71 31.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 C-N-CA 127.551 2.34 . . . . 0.0 113.018 175.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 16.2 t -71.1 -36.17 72.08 Favored 'General case' 0 N--CA 1.474 0.73 0 O-C-N 120.896 -1.127 . . . . 0.0 110.994 175.09 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 57.3 mt-30 -57.86 -41.93 83.46 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 123.856 0.862 . . . . 0.0 112.658 165.526 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -67.82 -42.11 82.03 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.37 1.068 . . . . 0.0 111.869 177.632 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 10.2 t80 -61.94 -38.34 88.07 Favored 'General case' 0 CA--C 1.535 0.393 0 N-CA-C 112.28 0.474 . . . . 0.0 112.28 171.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 41.4 t -66.21 -30.08 70.46 Favored 'General case' 0 CA--C 1.54 0.595 0 O-C-N 120.998 -1.064 . . . . 0.0 111.918 175.497 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.1 mp -73.84 -9.54 58.75 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 126.023 1.729 . . . . 0.0 114.539 170.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 59.3 mttp -107.39 -22.33 12.61 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 126.428 1.891 . . . . 0.0 113.708 172.589 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -142.92 -1.34 1.1 Allowed 'General case' 0 N--CA 1.479 1.019 0 N-CA-C 117.399 2.37 . . . . 0.0 117.399 -163.172 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.6 m 58.21 13.27 2.24 Favored 'General case' 0 N--CA 1.485 1.3 0 N-CA-C 116.6 2.074 . . . . 0.0 116.6 -171.721 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.3 ptpt -133.86 153.54 51.67 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 125.169 1.388 . . . . 0.0 112.088 178.544 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 59.7 m -70.69 150.99 45.4 Favored 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 169.748 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 18.4 tt . . . . . 0 CA--C 1.551 1.009 0 N-CA-C 113.224 0.824 . . . . 0.0 113.224 -163.943 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.8 t . . . . . 0 CA--C 1.545 0.778 0 N-CA-C 113.058 0.762 . . . . 0.0 113.058 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -170.92 138.7 1.35 Allowed 'General case' 0 N--CA 1.465 0.325 0 C-N-CA 128.306 2.643 . . . . 0.0 108.553 155.227 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 50.6 mtmt -66.23 -41.99 89.28 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-N 118.356 0.526 . . . . 0.0 111.457 179.53 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 21.7 mp0 -62.95 -38.59 91.68 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 124.724 1.209 . . . . 0.0 112.34 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 23.4 t80 -65.92 -51.21 60.56 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 124.478 1.111 . . . . 0.0 110.933 175.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 90.4 m -60.04 -44.96 94.31 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 123.052 0.541 . . . . 0.0 112.376 178.151 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -74.5 -23.5 58.85 Favored 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 113.763 1.023 . . . . 0.0 113.763 178.595 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -68.81 -49.36 43.0 Favored Glycine 0 CA--C 1.529 0.922 0 O-C-N 121.19 -0.944 . . . . 0.0 111.749 169.757 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -72.64 -49.06 34.39 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.09 0.956 . . . . 0.0 113.323 -177.49 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 74.2 m -141.78 157.48 44.97 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 113.999 1.111 . . . . 0.0 113.999 -163.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 84.2 mtm-85 -141.17 177.56 7.99 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 124.055 0.942 . . . . 0.0 112.441 174.694 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 93.98 123.62 3.75 Favored Glycine 0 CA--C 1.526 0.779 0 N-CA-C 107.478 -2.249 . . . . 0.0 107.478 -151.334 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -51.91 -38.16 55.23 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 123.942 0.897 . . . . 0.0 111.738 -176.696 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 46.2 t -84.36 -30.15 7.23 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 C-N-CA 124.406 1.082 . . . . 0.0 112.261 -175.409 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.5 t -63.12 -45.33 92.47 Favored 'General case' 0 N--CA 1.472 0.66 0 O-C-N 121.101 -0.999 . . . . 0.0 111.21 168.72 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 80.8 mt-30 -61.83 -35.35 77.99 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 113.257 0.836 . . . . 0.0 113.257 169.68 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -68.7 -42.77 77.28 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-N 120.047 1.294 . . . . 0.0 112.754 179.063 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -61.62 -36.15 79.92 Favored 'General case' 0 N--CA 1.468 0.469 0 O-C-N 121.675 -0.641 . . . . 0.0 111.321 172.676 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 44.0 t -71.24 -32.64 68.99 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 123.329 0.652 . . . . 0.0 112.198 177.267 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.6 mp -67.71 -25.15 65.52 Favored 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 113.363 0.875 . . . . 0.0 113.363 169.325 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 54.7 mttp -92.13 -32.82 14.99 Favored 'General case' 0 N--CA 1.48 1.029 0 N-CA-C 114.535 1.309 . . . . 0.0 114.535 177.31 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -131.35 2.58 4.22 Favored 'General case' 0 N--CA 1.478 0.953 0 N-CA-C 114.778 1.399 . . . . 0.0 114.778 -165.252 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 4.0 t 62.04 6.8 1.87 Allowed 'General case' 0 CA--C 1.552 1.031 0 C-N-CA 126.406 1.883 . . . . 0.0 115.008 -171.655 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 32.8 mttp -124.45 143.03 50.86 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 126.32 1.848 . . . . 0.0 110.759 -174.196 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 54.5 m -67.84 152.11 46.1 Favored 'General case' 0 C--N 1.322 -0.625 0 C-N-CA 123.182 0.593 . . . . 0.0 110.112 171.573 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 15.8 tt . . . . . 0 CA--C 1.542 0.667 0 CA-C-O 118.966 -0.54 . . . . 0.0 111.348 -170.746 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 7.8 t . . . . . 0 CA--C 1.537 0.449 0 N-CA-C 107.358 -1.349 . . . . 0.0 107.358 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 91.5 mmm -122.15 140.01 53.06 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.863 0.865 . . . . 0.0 108.955 134.32 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.85 -42.63 99.82 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 125.352 1.461 . . . . 0.0 112.648 -168.283 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 11.4 mp0 -72.54 -35.61 68.09 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.057 0.943 . . . . 0.0 111.3 -177.715 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 46.5 t80 -63.26 -44.28 95.58 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 123.756 0.822 . . . . 0.0 111.459 170.682 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 23.0 m -62.16 -32.44 73.06 Favored 'General case' 0 CA--C 1.539 0.52 0 N-CA-C 113.295 0.85 . . . . 0.0 113.295 177.016 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -73.41 -23.92 60.21 Favored 'General case' 0 CA--C 1.548 0.884 0 N-CA-C 113.939 1.088 . . . . 0.0 113.939 172.237 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -78.56 -28.54 55.03 Favored Glycine 0 CA--C 1.536 1.401 0 C-N-CA 124.266 0.936 . . . . 0.0 113.511 169.619 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 74.3 mm-40 -88.73 -28.25 20.65 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 125.052 1.341 . . . . 0.0 114.401 179.242 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -153.36 148.42 26.71 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 123.359 0.664 . . . . 0.0 112.51 -163.345 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 11.2 ptp180 -147.54 160.47 42.58 Favored 'General case' 0 N--CA 1.478 0.967 0 N-CA-C 114.553 1.316 . . . . 0.0 114.553 177.531 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 84.87 135.96 3.41 Favored Glycine 0 CA--C 1.535 1.328 0 N-CA-C 109.883 -1.287 . . . . 0.0 109.883 -146.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 37.4 ttpt -66.75 -29.82 69.88 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 124.136 0.975 . . . . 0.0 113.223 -173.457 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 26.1 t -75.57 -37.14 36.38 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.942 0 C-N-CA 124.926 1.291 . . . . 0.0 111.15 175.015 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -64.26 -48.26 76.43 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 125.249 1.42 . . . . 0.0 110.932 174.111 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 83.5 mt-30 -64.29 -39.31 93.67 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-O 118.68 -0.676 . . . . 0.0 112.507 171.568 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -59.16 -40.65 86.23 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 119.832 1.196 . . . . 0.0 112.23 174.438 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 40.1 t80 -60.98 -42.77 99.0 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 118.034 0.379 . . . . 0.0 111.86 171.182 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 42.5 t -67.31 -34.36 77.2 Favored 'General case' 0 CA--C 1.537 0.476 0 O-C-N 120.649 -1.282 . . . . 0.0 112.065 178.143 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 7.4 mp -68.23 -15.02 63.41 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 125.017 1.327 . . . . 0.0 113.576 172.012 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 77.0 mttt -98.86 -32.46 11.33 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 125.957 1.703 . . . . 0.0 112.701 174.027 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -132.46 -1.38 3.52 Favored 'General case' 0 N--CA 1.477 0.911 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -160.143 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 69.1 m 61.54 14.87 6.26 Favored 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 116.606 2.076 . . . . 0.0 116.606 -179.358 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 63.9 pttt -141.93 161.8 37.07 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 124.953 1.301 . . . . 0.0 111.788 170.223 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.2 t -68.36 153.61 43.41 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-O 121.985 0.898 . . . . 0.0 111.74 170.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 20.8 tt . . . . . 0 CA--C 1.551 1.013 0 C-N-CA 125.333 1.453 . . . . 0.0 112.895 -165.699 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.3 m . . . . . 0 CA--C 1.546 0.789 0 CA-C-O 119.66 -0.21 . . . . 0.0 110.673 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 72.2 mtm -143.95 140.16 29.51 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.251 1.02 . . . . 0.0 110.542 173.014 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 42.5 mtmt -54.21 -43.04 70.43 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 126.298 1.839 . . . . 0.0 111.542 174.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -59.63 -44.89 93.32 Favored 'General case' 0 N--CA 1.473 0.702 0 N-CA-C 113.477 0.917 . . . . 0.0 113.477 178.595 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 79.6 t80 -67.94 -47.1 69.62 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 123.82 0.848 . . . . 0.0 110.603 175.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 99.3 m -64.32 -33.67 76.38 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 113.784 1.031 . . . . 0.0 113.784 -178.623 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -80.41 -14.31 58.42 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 114.156 1.169 . . . . 0.0 114.156 178.608 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -86.31 -48.09 4.69 Favored Glycine 0 CA--C 1.534 1.242 0 C-N-CA 124.406 1.003 . . . . 0.0 112.048 166.546 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 75.8 mm-40 -72.85 -26.06 61.33 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 114.213 1.19 . . . . 0.0 114.213 -178.302 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -145.18 145.93 31.55 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 123.731 0.813 . . . . 0.0 112.573 -172.746 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 31.2 mmm180 -135.5 144.78 46.54 Favored 'General case' 0 N--CA 1.481 1.101 0 N-CA-C 113.979 1.103 . . . . 0.0 113.979 -168.687 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 88.54 147.69 14.98 Favored Glycine 0 CA--C 1.531 1.06 0 C-N-CA 124.395 0.998 . . . . 0.0 111.255 -164.295 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 55.0 tttm -59.74 -40.8 89.3 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.141 0.976 . . . . 0.0 112.486 -167.257 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 11.5 p -74.52 -33.39 32.55 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 C-N-CA 124.985 1.314 . . . . 0.0 113.128 -178.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -72.71 -47.27 48.55 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 126.095 1.758 . . . . 0.0 109.763 -178.454 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 92.6 mt-30 -55.97 -41.48 74.82 Favored 'General case' 0 CA--C 1.545 0.784 0 N-CA-C 112.508 0.559 . . . . 0.0 112.508 165.188 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -66.49 -33.13 74.99 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 124.205 1.002 . . . . 0.0 113.102 179.754 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 26.1 t80 -59.95 -46.15 90.34 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 123.551 0.741 . . . . 0.0 112.156 169.436 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 53.6 t -65.45 -28.55 69.3 Favored 'General case' 0 CA--C 1.541 0.626 0 O-C-N 121.318 -0.864 . . . . 0.0 112.094 178.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.3 mp -73.06 2.37 7.19 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 125.78 1.632 . . . . 0.0 114.786 169.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 79.2 mttt -125.84 -13.84 6.29 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 125.049 1.339 . . . . 0.0 114.238 168.187 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 90.1 m-70 -137.26 -2.73 2.0 Favored 'General case' 0 N--CA 1.477 0.915 0 N-CA-C 115.622 1.712 . . . . 0.0 115.622 -168.532 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 3.4 t 59.4 6.43 0.77 Allowed 'General case' 0 CA--C 1.551 0.99 0 N-CA-C 116.061 1.874 . . . . 0.0 116.061 -174.01 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.9 ptmm? -130.71 166.0 21.69 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 126.374 1.87 . . . . 0.0 112.148 -178.684 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 6.8 t -72.53 161.46 30.77 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-O 121.293 0.568 . . . . 0.0 112.494 172.209 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 20.8 tt . . . . . 0 CA--C 1.552 1.02 0 C-N-CA 127.02 2.128 . . . . 0.0 112.775 -171.318 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.2 t . . . . . 0 CA--C 1.538 0.488 0 N-CA-C 107.679 -1.23 . . . . 0.0 107.679 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 58.4 mtt -144.73 148.95 34.76 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 125.122 1.369 . . . . 0.0 107.784 147.484 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 39.5 ttpt -60.97 -43.68 98.44 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 119.199 0.909 . . . . 0.0 111.338 174.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 61.2 mp0 -62.85 -41.75 99.48 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 124.344 1.058 . . . . 0.0 112.496 178.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 65.6 t80 -60.82 -51.77 67.9 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 124.417 1.087 . . . . 0.0 110.752 174.562 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 62.7 m -65.77 -36.66 84.18 Favored 'General case' 0 CA--C 1.537 0.46 0 N-CA-C 113.585 0.957 . . . . 0.0 113.585 179.756 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.12 -36.9 80.49 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 123.713 0.805 . . . . 0.0 112.768 176.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -70.46 -51.79 19.69 Favored Glycine 0 CA--C 1.533 1.206 0 C-N-CA 123.689 0.662 . . . . 0.0 112.789 173.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 35.4 mm-40 -67.53 -39.82 85.04 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 123.987 0.915 . . . . 0.0 112.739 -176.219 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 5.6 m -127.72 153.58 46.35 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.617 1.167 . . . . 0.0 111.894 -168.52 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 15.8 ptp180 -153.34 159.25 42.44 Favored 'General case' 0 N--CA 1.479 0.987 0 N-CA-C 115.591 1.7 . . . . 0.0 115.591 178.799 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 85.74 135.24 3.65 Favored Glycine 0 CA--C 1.533 1.204 0 N-CA-C 109.035 -1.626 . . . . 0.0 109.035 -146.441 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -62.03 -37.62 85.6 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 117.866 0.833 . . . . 0.0 112.516 -171.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 48.9 t -72.27 -32.78 44.03 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 C-N-CA 124.053 0.941 . . . . 0.0 111.488 178.585 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.3 m -65.15 -42.78 93.48 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 124.595 1.158 . . . . 0.0 111.721 173.711 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 84.3 mt-30 -67.93 -41.53 82.41 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 113.072 0.767 . . . . 0.0 113.072 171.002 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -65.67 -31.23 72.13 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.643 1.177 . . . . 0.0 113.45 178.339 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 54.3 t80 -65.65 -41.64 92.34 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.686 0.795 . . . . 0.0 112.381 166.396 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 52.9 t -66.46 -30.09 70.36 Favored 'General case' 0 CA--C 1.537 0.473 0 O-C-N 121.23 -0.919 . . . . 0.0 111.244 178.385 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.3 mp -65.66 -12.28 52.15 Favored 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 114.476 1.287 . . . . 0.0 114.476 169.471 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -102.54 -28.57 12.09 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 124.833 1.253 . . . . 0.0 113.281 168.426 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 83.7 m-70 -126.71 -6.49 6.26 Favored 'General case' 0 N--CA 1.477 0.878 0 N-CA-C 116.591 2.071 . . . . 0.0 116.591 -161.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 4.5 t 56.48 11.92 0.95 Allowed 'General case' 0 CA--C 1.553 1.079 0 N-CA-C 115.189 1.551 . . . . 0.0 115.189 -169.43 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 32.7 mttp -131.79 158.19 41.89 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 126.301 1.84 . . . . 0.0 109.882 -175.402 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 48.1 m -73.43 157.62 36.53 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-O 121.64 0.733 . . . . 0.0 112.112 171.519 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 19.7 tt . . . . . 0 CA--C 1.543 0.678 0 C-N-CA 123.688 0.795 . . . . 0.0 112.879 -170.279 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.2 m . . . . . 0 CA--C 1.542 0.652 0 N-CA-C 110.204 -0.295 . . . . 0.0 110.204 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 85.7 mtp -148.23 134.98 19.95 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 126.092 1.757 . . . . 0.0 109.517 165.616 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 11.6 ptpt -68.38 -27.25 66.07 Favored 'General case' 0 N--CA 1.475 0.782 0 N-CA-C 113.909 1.077 . . . . 0.0 113.909 178.113 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 26.6 mp0 -64.03 -43.52 95.32 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 124.797 1.239 . . . . 0.0 111.963 170.328 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 18.8 t80 -70.2 -43.36 70.87 Favored 'General case' 0 N--CA 1.468 0.435 0 O-C-N 121.523 -0.736 . . . . 0.0 111.158 176.752 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 47.8 m -61.51 -36.72 81.32 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-O 118.357 -0.83 . . . . 0.0 112.984 174.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.21 -24.82 65.88 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 119.368 0.986 . . . . 0.0 113.099 172.455 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -74.73 -22.83 76.48 Favored Glycine 0 CA--C 1.534 1.28 0 C-N-CA 124.426 1.012 . . . . 0.0 114.182 170.572 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -99.95 -27.26 13.68 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 125.084 1.354 . . . . 0.0 114.03 179.015 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -158.13 145.38 18.04 Favored 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 113.042 0.756 . . . . 0.0 113.042 -158.084 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 9.5 ptp180 -146.96 162.6 38.41 Favored 'General case' 0 N--CA 1.476 0.827 0 N-CA-C 114.115 1.154 . . . . 0.0 114.115 174.684 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 90.93 144.87 13.05 Favored Glycine 0 CA--C 1.534 1.228 0 N-CA-C 110.472 -1.051 . . . . 0.0 110.472 -155.401 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 36.5 ttpt -56.23 -49.39 74.26 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 125.249 1.419 . . . . 0.0 112.117 -172.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 23.9 t -77.29 -33.47 19.97 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 C-N-CA 125.414 1.486 . . . . 0.0 111.291 -174.069 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.1 m -62.45 -49.41 75.55 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 125.347 1.459 . . . . 0.0 111.436 172.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -67.36 -37.38 83.12 Favored 'General case' 0 N--CA 1.468 0.449 0 N-CA-C 113.177 0.806 . . . . 0.0 113.177 172.763 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -59.79 -40.84 89.65 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 123.683 0.793 . . . . 0.0 112.022 174.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 34.1 t80 -60.8 -38.76 86.46 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 123.166 0.586 . . . . 0.0 112.193 170.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 35.0 t -70.11 -30.61 67.85 Favored 'General case' 0 CA--C 1.537 0.48 0 O-C-N 120.378 -1.451 . . . . 0.0 112.191 177.098 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 7.2 mp -76.3 1.0 17.32 Favored 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 114.405 1.261 . . . . 0.0 114.405 169.51 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 70.2 mttt -110.24 -21.07 12.42 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 126.148 1.779 . . . . 0.0 113.588 169.313 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 -144.45 -1.94 0.89 Allowed 'General case' 0 N--CA 1.48 1.059 0 N-CA-C 116.369 1.989 . . . . 0.0 116.369 -163.816 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 34.7 m 61.02 19.9 10.35 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 126.998 2.119 . . . . 0.0 116.395 -177.592 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 16.4 ptpt -150.79 162.61 40.41 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 126.789 2.036 . . . . 0.0 112.752 -177.533 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.7 t -75.0 155.43 37.34 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-O 122.403 1.097 . . . . 0.0 112.784 178.559 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 20.5 tt . . . . . 0 CA--C 1.547 0.854 0 C-N-CA 125.322 1.449 . . . . 0.0 113.137 -168.327 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 7.4 t . . . . . 0 CA--C 1.537 0.462 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 67.7 mtm -138.58 126.53 22.49 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 125.156 1.382 . . . . 0.0 108.712 164.235 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 25.2 ttpt -68.06 -26.58 65.93 Favored 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 114.359 1.244 . . . . 0.0 114.359 -165.414 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -81.77 -29.3 32.84 Favored 'General case' 0 N--CA 1.476 0.851 0 CA-C-N 119.282 0.946 . . . . 0.0 113.46 172.292 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 68.6 t80 -66.78 -41.69 87.25 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 124.083 0.953 . . . . 0.0 111.386 -179.185 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 96.3 m -72.52 -44.67 61.86 Favored 'General case' 0 CA--C 1.541 0.623 0 O-C-N 121.573 -0.704 . . . . 0.0 112.434 174.57 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.95 -29.33 69.72 Favored 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 114.068 1.136 . . . . 0.0 114.068 -178.71 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -77.84 -46.16 9.85 Favored Glycine 0 CA--C 1.528 0.898 0 C-N-CA 123.873 0.749 . . . . 0.0 113.448 176.121 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -70.99 -49.92 39.94 Favored 'General case' 0 CA--C 1.537 0.46 0 N-CA-C 113.506 0.928 . . . . 0.0 113.506 -175.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 74.6 m -130.72 157.89 41.58 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 124.698 1.199 . . . . 0.0 111.698 -164.36 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 69.4 mtt180 -144.69 166.94 23.77 Favored 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 113.775 1.028 . . . . 0.0 113.775 -175.768 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 90.4 128.09 3.68 Favored Glycine 0 CA--C 1.531 1.055 0 N-CA-C 107.763 -2.135 . . . . 0.0 107.763 -147.768 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 67.5 tttt -68.99 -23.03 64.06 Favored 'General case' 0 N--CA 1.472 0.645 0 O-C-N 121.953 -0.733 . . . . 0.0 112.329 -171.489 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 10.9 t -89.1 -28.31 5.23 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 C-N-CA 126.037 1.735 . . . . 0.0 111.383 174.442 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 16.1 t -61.14 -49.13 78.49 Favored 'General case' 0 N--CA 1.48 1.04 0 CA-C-N 119.653 1.115 . . . . 0.0 110.561 165.698 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 82.3 mt-30 -59.57 -42.38 92.32 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 123.392 0.677 . . . . 0.0 112.771 171.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -62.58 -39.84 95.0 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 113.549 0.944 . . . . 0.0 113.549 174.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 55.8 t80 -66.71 -36.66 83.0 Favored 'General case' 0 CA--C 1.536 0.438 0 O-C-N 121.337 -0.852 . . . . 0.0 111.147 176.46 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 43.7 t -69.73 -32.22 70.65 Favored 'General case' 0 CA--C 1.535 0.39 0 N-CA-C 112.604 0.594 . . . . 0.0 112.604 172.599 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.9 mp -62.34 -48.24 80.7 Favored 'General case' 0 CA--C 1.543 0.696 0 O-C-N 120.707 -1.246 . . . . 0.0 111.081 167.035 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 60.2 mttp -68.67 -31.78 71.14 Favored 'General case' 0 N--CA 1.476 0.868 0 N-CA-C 114.939 1.459 . . . . 0.0 114.939 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 94.3 m-70 -133.93 3.62 3.48 Favored 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 115.569 1.692 . . . . 0.0 115.569 -166.551 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . 0.254 1.8 t 54.94 11.25 0.46 Allowed 'General case' 0 N--CA 1.481 1.112 0 N-CA-C 116.683 2.105 . . . . 0.0 116.683 -177.23 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 9.4 ptpp? -132.5 151.32 51.95 Favored 'General case' 0 N--CA 1.466 0.327 0 C-N-CA 127.854 2.462 . . . . 0.0 109.212 174.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 70.0 m -75.82 159.49 30.95 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-O 121.16 0.505 . . . . 0.0 112.271 -177.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 15.9 tt . . . . . 0 CA--C 1.551 0.992 0 C-N-CA 124.97 1.308 . . . . 0.0 112.452 -171.635 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 6.0 t . . . . . 0 CA--C 1.541 0.614 0 CA-C-O 120.694 0.283 . . . . 0.0 111.661 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 71.3 mtp -151.8 129.41 11.49 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 127.238 2.215 . . . . 0.0 107.209 163.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 30.6 mtmm -68.0 -39.39 83.24 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 124.695 1.198 . . . . 0.0 112.698 -174.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -67.89 -45.77 73.51 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 123.676 0.79 . . . . 0.0 111.302 177.716 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 81.2 t80 -56.15 -53.55 55.71 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.556 1.142 . . . . 0.0 111.365 172.426 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 23.3 m -61.38 -32.07 71.98 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-O 118.111 -0.947 . . . . 0.0 113.088 -179.138 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.16 -31.35 69.95 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-N 120.026 1.285 . . . . 0.0 113.042 174.671 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -81.22 -25.49 54.86 Favored Glycine 0 CA--C 1.532 1.118 0 O-C-N 121.57 -0.706 . . . . 0.0 114.339 175.104 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 97.3 mm-40 -81.82 -48.01 12.12 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 117.817 0.809 . . . . 0.0 111.465 172.678 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 20.4 m -131.6 144.71 51.26 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 125.397 1.479 . . . . 0.0 111.746 -158.336 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 27.5 mmm180 -135.07 153.59 51.99 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 113.044 0.757 . . . . 0.0 113.044 -170.102 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 74.75 149.84 2.03 Favored Glycine 0 CA--C 1.532 1.118 0 CA-C-N 115.525 -0.761 . . . . 0.0 111.33 -162.529 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 53.7 tptt -55.42 -39.35 70.14 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 125.522 1.529 . . . . 0.0 112.473 -176.215 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 5.3 p -78.73 -34.29 17.32 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 N-CA-C 113.495 0.924 . . . . 0.0 113.495 -174.069 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.4 t -72.63 -42.26 64.62 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 118.372 0.533 . . . . 0.0 111.119 172.532 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -59.27 -42.2 90.68 Favored 'General case' 0 CA--C 1.546 0.816 0 N-CA-C 113.099 0.777 . . . . 0.0 113.099 168.355 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -62.99 -39.8 95.82 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.595 1.158 . . . . 0.0 112.334 175.779 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 17.8 t80 -62.44 -44.01 97.45 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 122.779 0.431 . . . . 0.0 112.056 171.226 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 36.6 t -64.73 -24.67 67.64 Favored 'General case' 0 N--CA 1.471 0.593 0 O-C-N 121.315 -0.865 . . . . 0.0 112.243 177.652 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.0 mp -81.17 -2.04 46.98 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 125.573 1.549 . . . . 0.0 114.754 172.621 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 51.0 mtmt -122.36 -19.48 6.43 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 125.434 1.493 . . . . 0.0 114.06 172.761 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 79.7 m-70 -137.69 1.87 2.37 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 125.33 1.452 . . . . 0.0 114.207 -169.393 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 4.2 t 45.55 35.57 2.11 Favored 'General case' 0 CA--C 1.548 0.901 0 N-CA-C 116.204 1.928 . . . . 0.0 116.204 -177.5 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 6.5 ptpp? -151.71 165.3 34.83 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 126.638 1.975 . . . . 0.0 110.477 173.331 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 29.7 m -76.33 148.18 37.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 117.603 0.183 . . . . 0.0 111.462 176.3 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 18.7 tt . . . . . 0 CA--C 1.546 0.806 0 C-N-CA 124.137 0.975 . . . . 0.0 113.174 -169.574 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.2 m . . . . . 0 CA--C 1.543 0.688 0 CA-C-O 119.345 -0.36 . . . . 0.0 110.12 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 98.1 mtp -148.5 137.31 21.58 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 119.337 0.971 . . . . 0.0 110.942 173.107 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 45.2 mtmt -56.98 -45.34 82.98 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 125.206 1.402 . . . . 0.0 111.866 178.785 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 26.9 mp0 -69.45 -42.65 74.65 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 124.259 1.024 . . . . 0.0 111.288 -175.303 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 83.2 t80 -61.66 -50.37 72.8 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 124.603 1.161 . . . . 0.0 111.05 175.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 50.9 m -63.26 -34.18 77.1 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.101 0.96 . . . . 0.0 112.974 178.472 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.35 -19.76 63.02 Favored 'General case' 0 CA--C 1.546 0.798 0 N-CA-C 113.597 0.962 . . . . 0.0 113.597 176.124 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -87.11 -34.36 10.87 Favored Glycine 0 CA--C 1.535 1.334 0 C-N-CA 124.856 1.217 . . . . 0.0 113.063 168.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 15.3 mm-40 -71.08 -38.05 72.45 Favored 'General case' 0 CA--C 1.538 0.511 0 O-C-N 121.504 -0.998 . . . . 0.0 112.984 176.391 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.407 ' SG ' ' HB3' ' A' ' 18' ' ' SER . 0.1 OUTLIER -150.63 150.79 31.6 Favored 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 113.161 0.8 . . . . 0.0 113.161 -160.287 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 10.7 ptp85 -144.05 152.05 40.48 Favored 'General case' 0 N--CA 1.482 1.155 0 N-CA-C 115.162 1.541 . . . . 0.0 115.162 -179.232 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 92.28 143.99 13.25 Favored Glycine 0 CA--C 1.535 1.34 0 C-N-CA 124.928 1.251 . . . . 0.0 110.028 -157.336 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 30.7 mmmt -63.66 -36.04 82.53 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 118.019 0.91 . . . . 0.0 112.533 -170.676 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 14.2 t -79.08 -34.23 16.46 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 C-N-CA 124.513 1.125 . . . . 0.0 110.933 178.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.407 ' HB3' ' SG ' ' A' ' 13' ' ' CYS . 2.7 m -62.89 -46.78 86.25 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 124.083 0.953 . . . . 0.0 111.308 172.764 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -65.77 -38.97 90.49 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 113.512 0.93 . . . . 0.0 113.512 169.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -59.22 -41.25 88.18 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 120.123 1.328 . . . . 0.0 110.749 174.618 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 16.1 t80 -58.6 -39.04 79.29 Favored 'General case' 0 CA--C 1.538 0.51 0 O-C-N 121.472 -0.768 . . . . 0.0 112.253 174.279 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 35.1 t -72.5 -30.9 64.92 Favored 'General case' 0 CA--C 1.538 0.495 0 O-C-N 121.148 -0.97 . . . . 0.0 112.503 175.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 7.0 mp -74.57 -14.65 60.82 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 124.9 1.28 . . . . 0.0 113.854 170.165 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 47.1 mmtm -91.57 -31.03 16.07 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 125.26 1.424 . . . . 0.0 112.736 167.421 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.412 ' O ' ' HE3' ' A' ' 27' ' ' LYS . 98.5 m-70 -137.24 3.06 2.58 Favored 'General case' 0 N--CA 1.482 1.138 0 N-CA-C 117.274 2.324 . . . . 0.0 117.274 -162.264 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 68.5 m 58.05 18.79 5.43 Favored 'General case' 0 CA--C 1.552 1.029 0 CA-C-N 121.924 2.147 . . . . 0.0 115.755 -176.786 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.412 ' HE3' ' O ' ' A' ' 25' ' ' HIS . 10.2 ptpt -146.2 156.36 43.35 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 126.845 2.058 . . . . 0.0 111.557 -179.011 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 19.7 t -73.17 162.15 29.75 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-O 121.972 0.892 . . . . 0.0 111.946 176.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 16.9 tt . . . . . 0 CA--C 1.548 0.903 0 C-N-CA 124.319 1.048 . . . . 0.0 111.87 -176.12 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.3 m . . . . . 0 CA--C 1.545 0.786 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 67.0 mtm -150.6 144.82 25.51 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 124.867 1.267 . . . . 0.0 110.953 165.484 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -57.1 -45.17 83.6 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.297 1.039 . . . . 0.0 111.208 167.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -62.47 -32.99 73.97 Favored 'General case' 0 N--CA 1.477 0.912 0 N-CA-C 114.509 1.3 . . . . 0.0 114.509 -175.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 45.5 t80 -75.3 -53.81 8.14 Favored 'General case' 0 C--O 1.237 0.446 0 C-N-CA 123.486 0.715 . . . . 0.0 110.624 173.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -68.75 -20.51 64.37 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-O 117.875 -1.06 . . . . 0.0 113.44 -174.599 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.31 -17.73 55.1 Favored 'General case' 0 CA--C 1.546 0.817 0 CA-C-N 120.233 1.379 . . . . 0.0 113.875 171.258 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -90.19 -11.55 62.81 Favored Glycine 0 CA--C 1.54 1.62 0 CA-C-N 119.296 0.953 . . . . 0.0 114.895 170.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 72.7 mm-40 -116.27 -45.82 2.82 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-N 118.949 1.374 . . . . 0.0 112.608 -172.083 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 14.5 m -127.47 135.65 50.69 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 127.009 2.124 . . . . 0.0 110.044 -165.457 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 77.1 mtt85 -137.26 158.4 44.5 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 115.371 1.619 . . . . 0.0 115.371 -171.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 77.06 149.38 3.27 Favored Glycine 0 CA--C 1.532 1.115 0 CA-C-N 114.664 -1.153 . . . . 0.0 111.121 -160.489 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 39.5 ttmt -55.71 -34.45 65.12 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 124.922 1.289 . . . . 0.0 112.748 -174.443 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 47.2 t -81.15 -38.41 16.62 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 C-N-CA 124.233 1.013 . . . . 0.0 113.068 -173.292 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 10.8 t -67.95 -43.69 78.51 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 123.884 0.874 . . . . 0.0 110.944 172.085 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -61.89 -37.37 84.32 Favored 'General case' 0 CA--C 1.549 0.934 0 N-CA-C 113.496 0.925 . . . . 0.0 113.496 168.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -67.21 -35.42 79.57 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-N 119.86 1.209 . . . . 0.0 112.397 174.386 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 51.5 t80 -64.47 -39.8 94.48 Favored 'General case' 0 N--CA 1.47 0.568 0 O-C-N 121.276 -0.89 . . . . 0.0 112.024 168.376 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 41.3 t -62.79 -34.47 77.33 Favored 'General case' 0 N--CA 1.473 0.724 0 O-C-N 121.199 -0.938 . . . . 0.0 111.609 175.593 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.4 mp -67.67 -6.44 20.62 Favored 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 115.111 1.523 . . . . 0.0 115.111 172.78 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 11.0 mttm -115.04 -23.36 9.09 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 124.87 1.268 . . . . 0.0 112.43 172.112 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -140.86 2.05 1.73 Allowed 'General case' 0 CA--C 1.545 0.773 0 N-CA-C 117.037 2.236 . . . . 0.0 117.037 -163.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 73.2 m 55.39 15.46 1.41 Allowed 'General case' 0 CA--C 1.556 1.176 0 N-CA-C 116.68 2.104 . . . . 0.0 116.68 178.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -130.66 168.13 17.64 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 127.935 2.494 . . . . 0.0 110.24 175.248 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 21.7 m -73.59 167.63 20.94 Favored 'General case' 0 CA--C 1.543 0.695 0 O-C-N 122.342 -0.224 . . . . 0.0 110.966 167.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 19.9 tt . . . . . 0 CA--C 1.549 0.934 0 CA-C-O 118.116 -0.945 . . . . 0.0 112.239 -177.14 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 1.002 0 N-CA-C 110.781 -0.928 . . . . 0.0 110.781 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 79.9 p -74.42 -1.28 20.41 Favored 'General case' 0 N--CA 1.477 0.911 0 N-CA-C 115.766 1.765 . . . . 0.0 115.766 178.046 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 95.53 105.71 2.1 Favored Glycine 0 CA--C 1.532 1.148 0 C-N-CA 125.673 1.606 . . . . 0.0 110.756 -167.156 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -58.78 -59.04 6.06 Favored 'General case' 0 CA--C 1.546 0.812 0 O-C-N 119.704 -2.056 . . . . 0.0 107.634 -45.304 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 50.5 mtt -138.25 143.41 40.08 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.493 1.517 . . . . 0.0 107.412 145.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 32.6 ttpt -65.81 -23.54 66.72 Favored 'General case' 0 N--CA 1.481 1.095 0 CA-C-N 119.776 1.171 . . . . 0.0 113.039 -178.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 24.1 mp0 -68.6 -57.28 5.96 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.802 1.641 . . . . 0.0 110.843 170.51 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 67.4 t80 -53.33 -47.35 69.38 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 125.119 1.368 . . . . 0.0 111.831 177.021 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 80.7 m -63.5 -32.45 73.9 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-O 117.98 -1.01 . . . . 0.0 113.285 -176.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -82.72 -23.9 33.84 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 120.223 1.374 . . . . 0.0 113.697 173.199 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -75.75 -10.39 84.89 Favored Glycine 0 CA--C 1.536 1.404 0 C-N-CA 125.384 1.468 . . . . 0.0 114.834 171.322 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 64.8 mm-40 -122.16 -39.43 2.59 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-N 118.786 1.293 . . . . 0.0 114.09 178.354 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.422 ' SG ' ' HB3' ' A' ' 18' ' ' SER . 10.4 t -129.61 153.72 47.8 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.561 1.145 . . . . 0.0 111.652 -169.312 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 28.6 mmm180 -132.77 138.48 47.17 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 116.04 1.867 . . . . 0.0 116.04 -164.297 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 88.65 153.69 27.23 Favored Glycine 0 CA--C 1.531 1.033 0 C-N-CA 124.985 1.279 . . . . 0.0 111.942 -173.012 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -57.5 -43.14 83.94 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.974 1.31 . . . . 0.0 112.027 -167.445 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 39.7 t -80.77 -35.37 14.73 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 C-N-CA 124.754 1.222 . . . . 0.0 111.505 -173.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.422 ' HB3' ' SG ' ' A' ' 13' ' ' CYS . 1.5 m -65.03 -49.87 68.45 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 124.713 1.205 . . . . 0.0 111.107 173.171 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 81.5 mt-30 -58.61 -39.08 79.42 Favored 'General case' 0 CA--C 1.549 0.928 0 N-CA-C 112.965 0.728 . . . . 0.0 112.965 169.274 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -64.92 -36.16 83.47 Favored 'General case' 0 CA--C 1.541 0.621 0 O-C-N 120.54 -1.35 . . . . 0.0 112.72 174.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 18.8 t80 -62.36 -38.33 89.13 Favored 'General case' 0 CA--C 1.538 0.486 0 O-C-N 121.537 -0.727 . . . . 0.0 111.379 171.573 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 41.1 t -67.92 -33.46 74.72 Favored 'General case' 0 CA--C 1.542 0.649 0 O-C-N 121.268 -0.895 . . . . 0.0 112.42 175.752 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.3 mp -62.97 -20.36 65.18 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.329 1.452 . . . . 0.0 114.581 170.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 54.0 mttp -103.06 -35.61 8.46 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 126.053 1.741 . . . . 0.0 112.967 179.042 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -128.88 2.24 5.36 Favored 'General case' 0 N--CA 1.477 0.92 0 N-CA-C 114.755 1.391 . . . . 0.0 114.755 -163.032 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 91.2 m 53.69 27.03 6.4 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 125.563 1.545 . . . . 0.0 114.621 -177.535 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.3 ptmm? -148.16 164.97 32.3 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 125.976 1.71 . . . . 0.0 111.32 178.548 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.8 t -73.6 159.29 33.31 Favored 'General case' 0 CA--C 1.542 0.662 0 CA-C-O 121.449 0.642 . . . . 0.0 111.815 172.41 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 19.4 tt -77.88 137.15 62.06 Favored Pre-proline 0 CA--C 1.544 0.744 0 C-N-CA 124.546 1.138 . . . . 0.0 111.558 -172.488 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_endo -72.87 165.8 31.78 Favored 'Trans proline' 0 CA--C 1.543 0.959 0 C-N-CA 122.883 2.389 . . . . 0.0 113.097 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 31.1 mmt180 . . . . . 0 C--O 1.257 1.469 0 C-N-CA 126.171 1.788 . . . . 0.0 111.358 -179.846 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.329 0 N-CA-C 110.545 -1.022 . . . . 0.0 110.545 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.1 p -108.78 155.22 21.02 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.753 1.221 . . . . 0.0 111.673 164.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -132.92 -66.73 0.08 OUTLIER Glycine 0 N--CA 1.467 0.76 0 C-N-CA 128.903 3.144 . . . . 0.0 110.831 -1.074 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 23.4 t -142.76 -101.68 0.13 Allowed 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 126.144 1.778 . . . . 0.0 107.104 171.136 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 64.9 mtt -150.67 138.34 19.78 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 126.953 2.101 . . . . 0.0 108.043 160.258 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 30.3 ttmt -60.61 -45.54 93.65 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.253 1.021 . . . . 0.0 113.221 -171.668 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 80.1 mt-10 -70.94 -42.76 69.39 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.62 1.168 . . . . 0.0 111.49 -177.713 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 66.2 t80 -58.41 -43.24 88.54 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 125.281 1.432 . . . . 0.0 111.682 176.51 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 52.6 m -65.76 -43.68 88.17 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 124.339 1.056 . . . . 0.0 112.557 176.622 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.46 -26.73 68.67 Favored 'General case' 0 CA--C 1.547 0.83 0 CA-C-N 118.505 0.593 . . . . 0.0 112.094 170.158 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -75.08 -8.85 83.7 Favored Glycine 0 CA--C 1.539 1.561 0 C-N-CA 125.104 1.335 . . . . 0.0 116.074 172.047 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -132.27 -9.89 3.31 Favored 'General case' 0 N--CA 1.481 1.078 0 N-CA-C 116.894 2.183 . . . . 0.0 116.894 176.129 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -145.96 155.17 42.66 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-N 120.251 1.387 . . . . 0.0 111.714 -175.819 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 9.7 ptp180 -153.77 148.75 26.71 Favored 'General case' 0 N--CA 1.482 1.159 0 N-CA-C 115.739 1.755 . . . . 0.0 115.739 -174.307 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 90.66 140.29 8.51 Favored Glycine 0 CA--C 1.534 1.23 0 N-CA-C 109.465 -1.454 . . . . 0.0 109.465 -153.215 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.4 tmtm? -66.84 -35.14 79.36 Favored 'General case' 0 N--CA 1.477 0.914 0 CA-C-N 118.414 1.107 . . . . 0.0 112.4 -169.239 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.7 p -71.96 -31.76 41.68 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 C-N-CA 123.728 0.811 . . . . 0.0 112.564 175.154 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.8 m -72.55 -45.45 59.23 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 125.855 1.662 . . . . 0.0 110.429 178.478 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 79.7 mt-30 -63.74 -35.31 80.15 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 123.631 0.772 . . . . 0.0 112.307 168.46 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -64.15 -39.89 94.97 Favored 'General case' 0 N--CA 1.474 0.757 0 O-C-N 120.956 -1.09 . . . . 0.0 112.3 172.412 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 10.0 t80 -56.14 -37.99 70.22 Favored 'General case' 0 N--CA 1.47 0.527 0 O-C-N 121.436 -0.79 . . . . 0.0 111.642 170.565 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 49.8 t -71.09 -33.18 69.94 Favored 'General case' 0 CA--C 1.539 0.55 0 O-C-N 120.632 -1.293 . . . . 0.0 112.44 177.56 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 7.6 mp -70.9 -18.7 62.66 Favored 'General case' 0 CA--C 1.546 0.818 0 N-CA-C 114.327 1.232 . . . . 0.0 114.327 169.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 56.9 mttp -101.93 -16.83 16.4 Favored 'General case' 0 N--CA 1.48 1.032 0 N-CA-C 115.026 1.491 . . . . 0.0 115.026 175.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 68.2 m-70 -139.67 -10.12 1.21 Allowed 'General case' 0 N--CA 1.479 0.989 0 N-CA-C 115.567 1.692 . . . . 0.0 115.567 -170.15 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . 0.25 2.8 t 54.55 34.9 22.23 Favored 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 125.72 1.608 . . . . 0.0 113.875 -171.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 46.9 mttp -143.99 159.26 42.9 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 129.222 3.009 . . . . 0.0 109.814 -178.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 10.8 t -76.77 161.83 28.16 Favored 'General case' 0 CA--C 1.545 0.753 0 CA-C-O 121.949 0.88 . . . . 0.0 111.42 164.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 19.1 tt -75.13 146.64 82.33 Favored Pre-proline 0 CA--C 1.545 0.775 0 C-N-CA 125.509 1.524 . . . . 0.0 112.076 -173.323 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -96.18 159.04 1.34 Allowed 'Trans proline' 0 CA--C 1.539 0.759 0 C-N-CA 123.346 2.697 . . . . 0.0 112.926 170.71 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 64.9 mtp180 . . . . . 0 C--O 1.254 1.332 0 C-N-CA 125.814 1.646 . . . . 0.0 111.466 166.853 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.048 0 N-CA-C 111.409 -0.676 . . . . 0.0 111.409 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 61.6 p -131.67 -7.45 3.63 Favored 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 114.451 1.278 . . . . 0.0 114.451 175.144 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -161.54 164.72 35.25 Favored Glycine 0 CA--C 1.531 1.088 0 C-N-CA 124.347 0.975 . . . . 0.0 113.316 166.445 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 7.1 t -127.86 -83.15 0.6 Allowed 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 124.835 1.254 . . . . 0.0 109.398 169.149 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 83.7 mtp -142.54 130.77 22.1 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 125.22 1.408 . . . . 0.0 108.372 157.206 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 21.8 ttpp -66.95 -34.72 78.4 Favored 'General case' 0 N--CA 1.472 0.628 0 O-C-N 121.635 -0.666 . . . . 0.0 112.648 -174.506 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -69.89 -30.99 68.57 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 113.169 0.803 . . . . 0.0 113.169 177.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 92.7 t80 -67.5 -53.3 29.85 Favored 'General case' 0 CA--C 1.531 0.23 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 169.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 84.7 m -65.03 -38.89 92.38 Favored 'General case' 0 CA--C 1.535 0.383 0 N-CA-C 114.255 1.205 . . . . 0.0 114.255 -175.489 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -74.49 -19.16 60.48 Favored 'General case' 0 CA--C 1.54 0.575 0 N-CA-C 113.468 0.914 . . . . 0.0 113.468 174.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -81.93 -49.88 5.15 Favored Glycine 0 CA--C 1.529 0.949 0 C-N-CA 123.58 0.609 . . . . 0.0 112.348 174.031 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 10.8 mm100 -83.95 -18.36 37.53 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 125.037 1.335 . . . . 0.0 114.448 -175.033 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.7 t -139.26 148.69 43.38 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 124.551 1.14 . . . . 0.0 111.782 -173.399 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.82 151.35 41.06 Favored 'General case' 0 N--CA 1.479 1.013 0 N-CA-C 113.734 1.013 . . . . 0.0 113.734 -171.136 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 89.09 139.49 7.13 Favored Glycine 0 CA--C 1.533 1.194 0 C-N-CA 124.919 1.247 . . . . 0.0 110.171 -157.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 58.1 tttm -60.33 -39.05 85.71 Favored 'General case' 0 N--CA 1.479 0.994 0 CA-C-N 118.159 0.979 . . . . 0.0 112.224 -169.534 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 38.7 t -83.31 -26.56 7.77 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.502 0 C-N-CA 123.95 0.9 . . . . 0.0 111.852 -177.625 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.3 m -65.51 -49.04 70.46 Favored 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 124.543 1.137 . . . . 0.0 111.203 168.463 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -58.31 -40.34 81.77 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 122.861 0.464 . . . . 0.0 112.053 171.354 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -65.63 -39.47 91.49 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 112.96 0.726 . . . . 0.0 112.96 174.603 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 23.2 t80 -57.44 -35.68 70.42 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 120.006 1.275 . . . . 0.0 111.538 173.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 44.8 t -73.63 -31.34 63.47 Favored 'General case' 0 CA--C 1.535 0.375 0 O-C-N 121.492 -0.755 . . . . 0.0 112.378 176.418 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 6.7 mp -63.25 -44.77 94.26 Favored 'General case' 0 CA--C 1.544 0.712 0 O-C-N 120.912 -1.118 . . . . 0.0 111.121 165.744 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 48.4 mmtm -65.12 -35.82 82.32 Favored 'General case' 0 N--CA 1.474 0.755 0 O-C-N 121.033 -1.042 . . . . 0.0 113.715 178.014 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 89.7 m-70 -133.83 -4.43 2.84 Favored 'General case' 0 N--CA 1.484 1.232 0 N-CA-C 116.596 2.072 . . . . 0.0 116.596 -163.429 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . 0.268 1.8 t 50.71 36.07 13.33 Favored 'General case' 0 CA--C 1.552 1.037 0 N-CA-C 115.659 1.726 . . . . 0.0 115.659 -171.068 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.4 ptpt -145.22 158.0 43.93 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 127.013 2.125 . . . . 0.0 110.128 167.59 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 9.0 t -71.13 161.14 31.61 Favored 'General case' 0 CA--C 1.544 0.717 0 CA-C-O 121.413 0.625 . . . . 0.0 111.793 170.122 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 20.7 tt -77.78 144.02 68.02 Favored Pre-proline 0 CA--C 1.548 0.891 0 C-N-CA 125.195 1.398 . . . . 0.0 112.853 -169.482 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -63.35 169.38 9.62 Favored 'Trans proline' 0 CA--C 1.54 0.794 0 C-N-CA 123.343 2.695 . . . . 0.0 114.458 171.475 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 44.0 ttp180 . . . . . 0 C--O 1.253 1.258 0 C-N-CA 126.438 1.895 . . . . 0.0 112.989 174.101 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.205 0 N-CA-C 111.504 -0.638 . . . . 0.0 111.504 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 74.9 m -122.04 153.38 38.69 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 126.048 1.739 . . . . 0.0 112.203 -178.718 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 81.56 -171.8 53.1 Favored Glycine 0 CA--C 1.536 1.387 0 O-C-N 121.587 -0.696 . . . . 0.0 114.707 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 18.0 t -122.04 -77.36 0.59 Allowed 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 124.011 0.925 . . . . 0.0 110.95 170.333 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 94.3 mtp -139.41 115.31 10.19 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 126.476 1.91 . . . . 0.0 107.858 168.078 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 27.8 ttpp -57.43 -43.6 83.99 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 125.329 1.451 . . . . 0.0 112.938 -171.237 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -72.84 -42.69 63.5 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.382 0.673 . . . . 0.0 111.372 -176.638 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 79.0 t80 -56.38 -51.83 66.86 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 124.95 1.3 . . . . 0.0 111.128 176.273 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 66.9 m -67.48 -38.04 83.78 Favored 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 112.858 0.688 . . . . 0.0 112.858 -179.347 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.65 -26.41 65.31 Favored 'General case' 0 CA--C 1.547 0.854 0 N-CA-C 113.766 1.024 . . . . 0.0 113.766 175.77 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -94.14 -39.54 4.8 Favored Glycine 0 CA--C 1.534 1.263 0 C-N-CA 124.994 1.283 . . . . 0.0 114.963 -176.676 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 97.2 mm-40 -87.79 -18.47 29.29 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-N 119.106 1.453 . . . . 0.0 113.674 178.168 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.7 t -128.82 146.84 50.81 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.87 1.268 . . . . 0.0 111.923 -178.444 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 14.4 mmt85 -141.8 148.58 39.12 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 114.655 1.354 . . . . 0.0 114.655 -171.346 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 88.15 144.15 9.43 Favored Glycine 0 CA--C 1.531 1.078 0 N-CA-C 110.022 -1.231 . . . . 0.0 110.022 -159.486 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 26.8 tptp -53.98 -47.52 71.31 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 125.46 1.504 . . . . 0.0 112.412 -175.01 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 21.8 t -78.0 -33.62 18.49 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.574 0 C-N-CA 125.391 1.476 . . . . 0.0 111.097 -174.278 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.8 m -62.62 -50.33 71.67 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 124.381 1.072 . . . . 0.0 111.496 171.032 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -59.16 -41.77 89.14 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 112.438 0.532 . . . . 0.0 112.438 172.356 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -64.4 -39.82 94.6 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.334 0.653 . . . . 0.0 112.472 177.056 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 23.3 t80 -55.19 -39.06 69.16 Favored 'General case' 0 N--CA 1.474 0.756 0 O-C-N 121.263 -0.898 . . . . 0.0 111.442 170.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 43.0 t -73.38 -29.57 62.7 Favored 'General case' 0 CA--C 1.534 0.337 0 O-C-N 121.421 -0.8 . . . . 0.0 112.486 177.248 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.5 mp -67.37 -39.01 85.64 Favored 'General case' 0 CA--C 1.546 0.8 0 O-C-N 120.624 -1.298 . . . . 0.0 111.793 168.688 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 40.5 mmtm -71.24 -36.69 71.88 Favored 'General case' 0 N--CA 1.481 1.093 0 O-C-N 120.705 -1.247 . . . . 0.0 113.858 174.234 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 80.5 m-70 -126.26 -5.1 6.67 Favored 'General case' 0 N--CA 1.478 0.945 0 N-CA-C 114.99 1.478 . . . . 0.0 114.99 -161.606 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 2.0 t 54.76 16.28 1.36 Allowed 'General case' 0 CA--C 1.55 0.979 0 N-CA-C 116.409 2.003 . . . . 0.0 116.409 -171.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.0 ptpp? -131.51 156.97 44.77 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 126.993 2.117 . . . . 0.0 110.692 172.578 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 15.5 t -75.45 165.24 25.42 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-O 122.258 1.028 . . . . 0.0 111.522 174.394 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 19.1 tt -83.03 155.98 67.23 Favored Pre-proline 0 CA--C 1.549 0.922 0 C-N-CA 125.495 1.518 . . . . 0.0 113.235 -165.062 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -69.15 30.32 0.17 Allowed 'Trans proline' 0 CA--C 1.547 1.126 1 C-N-CA 125.398 4.065 . . . . 0.0 116.064 167.414 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 78.7 mtt180 . . . . . 0 C--O 1.252 1.231 0 C-N-CA 126.29 1.836 . . . . 0.0 109.489 -174.916 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.423 0 N-CA-C 111.475 -0.65 . . . . 0.0 111.475 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 91.6 p -75.9 2.13 13.3 Favored 'General case' 0 N--CA 1.481 1.117 0 N-CA-C 115.492 1.664 . . . . 0.0 115.492 -174.123 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 99.11 101.08 2.27 Favored Glycine 0 CA--C 1.531 1.043 0 C-N-CA 126.578 2.037 . . . . 0.0 111.694 -176.547 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 6.8 t -57.55 -51.45 69.43 Favored 'General case' 0 CA--C 1.543 0.71 0 O-C-N 119.14 -2.388 . . . . 0.0 108.571 -40.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 64.5 mtt -136.18 135.16 38.92 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.743 1.217 . . . . 0.0 107.845 139.412 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 25.4 ttpp -59.23 -43.14 92.34 Favored 'General case' 0 N--CA 1.479 0.988 0 CA-C-N 119.345 0.975 . . . . 0.0 113.518 -172.378 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 6.7 mp0 -65.88 -45.95 80.18 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 123.329 0.652 . . . . 0.0 111.598 177.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 81.0 t80 -60.18 -43.36 95.93 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.643 1.177 . . . . 0.0 111.969 177.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 17.3 m -59.18 -25.99 64.41 Favored 'General case' 0 CA--C 1.538 0.486 0 N-CA-C 113.81 1.041 . . . . 0.0 113.81 177.069 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -73.79 -14.33 61.09 Favored 'General case' 0 CA--C 1.547 0.849 0 N-CA-C 114.315 1.228 . . . . 0.0 114.315 176.459 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -98.06 -35.81 4.93 Favored Glycine 0 CA--C 1.537 1.406 0 C-N-CA 124.933 1.254 . . . . 0.0 113.205 169.269 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 85.6 mm-40 -72.78 -23.66 60.83 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 118.55 1.175 . . . . 0.0 113.503 176.328 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.441 ' SG ' ' HB3' ' A' ' 18' ' ' SER . 3.9 t -152.99 152.39 31.36 Favored 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 114.174 1.176 . . . . 0.0 114.174 -173.369 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 29.4 mmm180 -135.15 148.5 49.75 Favored 'General case' 0 N--CA 1.48 1.061 0 N-CA-C 114.139 1.163 . . . . 0.0 114.139 -175.437 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 90.3 145.86 14.38 Favored Glycine 0 CA--C 1.531 1.058 0 C-N-CA 125.403 1.478 . . . . 0.0 110.741 -165.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 60.2 tttm -61.66 -43.56 98.62 Favored 'General case' 0 N--CA 1.476 0.852 0 CA-C-N 118.357 1.078 . . . . 0.0 112.62 -170.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 37.9 t -77.7 -33.08 18.59 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 C-N-CA 124.733 1.213 . . . . 0.0 111.284 -176.661 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.441 ' HB3' ' SG ' ' A' ' 13' ' ' CYS . 5.2 m -64.97 -48.13 75.12 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 124.927 1.291 . . . . 0.0 111.134 171.295 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -60.15 -37.64 80.73 Favored 'General case' 0 CA--C 1.545 0.765 0 O-C-N 121.17 -0.956 . . . . 0.0 113.324 168.486 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -62.7 -35.37 79.48 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-N 119.933 1.242 . . . . 0.0 111.936 172.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 16.6 t80 -62.57 -39.91 95.17 Favored 'General case' 0 N--CA 1.471 0.603 0 O-C-N 121.348 -0.845 . . . . 0.0 112.131 170.276 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 48.8 t -68.22 -32.49 72.73 Favored 'General case' 0 CA--C 1.54 0.563 0 O-C-N 121.41 -0.806 . . . . 0.0 111.97 176.345 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.6 mp -63.85 -30.08 71.2 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.903 1.281 . . . . 0.0 113.505 170.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -80.23 -47.01 15.29 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.513 1.125 . . . . 0.0 112.595 170.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 91.8 m-70 -124.7 0.67 8.13 Favored 'General case' 0 N--CA 1.48 1.061 0 N-CA-C 116.104 1.89 . . . . 0.0 116.104 -152.726 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 81.3 m 59.48 13.37 3.23 Favored 'General case' 0 N--CA 1.479 1.009 0 N-CA-C 116.564 2.061 . . . . 0.0 116.564 -177.08 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -137.9 167.74 21.13 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 127.139 2.176 . . . . 0.0 112.03 178.542 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 6.0 t -88.04 159.16 18.38 Favored 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 113.259 0.837 . . . . 0.0 113.259 173.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 14.6 tt -83.37 131.13 53.89 Favored Pre-proline 0 CA--C 1.547 0.864 0 C-N-CA 124.779 1.232 . . . . 0.0 112.176 -168.201 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -74.49 152.5 43.59 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.845 2.363 . . . . 0.0 113.64 -178.616 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.35 0 C-N-CA 129.403 3.081 . . . . 0.0 115.707 4.148 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.228 0 N-CA-C 110.536 -1.026 . . . . 0.0 110.536 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 m -68.94 108.08 3.36 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 118.515 1.158 . . . . 0.0 112.013 -170.742 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 69.22 -57.16 0.61 Allowed Glycine 0 CA--C 1.536 1.406 0 C-N-CA 126.131 1.824 . . . . 0.0 114.664 -173.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -132.11 -73.15 0.52 Allowed 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 126.5 1.92 . . . . 0.0 107.062 163.043 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 56.0 mtt -147.21 141.56 26.33 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 125.029 1.332 . . . . 0.0 109.441 154.422 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -53.49 -41.93 66.76 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 125.054 1.342 . . . . 0.0 111.501 172.701 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 29.7 mp0 -64.3 -51.36 63.89 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 126.435 1.894 . . . . 0.0 112.216 -178.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 69.9 t80 -57.75 -48.4 79.75 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 125.231 1.412 . . . . 0.0 110.756 174.52 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 63.4 m -60.12 -32.52 71.07 Favored 'General case' 0 CA--C 1.534 0.353 0 N-CA-C 113.12 0.785 . . . . 0.0 113.12 177.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -81.54 -20.96 38.92 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 114.581 1.326 . . . . 0.0 114.581 174.62 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -80.16 -33.11 33.46 Favored Glycine 0 CA--C 1.535 1.31 0 C-N-CA 124.309 0.956 . . . . 0.0 113.62 171.486 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 -102.97 -11.38 18.24 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 125.109 1.364 . . . . 0.0 114.202 -174.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.2 t -148.43 151.81 35.88 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.787 1.235 . . . . 0.0 112.391 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 83.7 mtm-85 -142.17 153.46 44.07 Favored 'General case' 0 N--CA 1.48 1.069 0 N-CA-C 114.982 1.475 . . . . 0.0 114.982 -178.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 90.47 140.47 8.49 Favored Glycine 0 CA--C 1.531 1.032 0 N-CA-C 110.151 -1.18 . . . . 0.0 110.151 -160.026 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 32.5 ttmt -63.45 -37.46 87.37 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 124.47 1.108 . . . . 0.0 112.843 -168.695 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 43.2 t -79.9 -33.07 14.42 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 C-N-CA 125.448 1.499 . . . . 0.0 111.543 178.224 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.4 m -63.76 -47.29 81.61 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 124.593 1.157 . . . . 0.0 111.045 173.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -63.26 -34.85 78.57 Favored 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 113.51 0.93 . . . . 0.0 113.51 168.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -68.51 -34.85 76.61 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-N 119.726 1.148 . . . . 0.0 111.991 176.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 69.0 t80 -57.93 -39.75 78.78 Favored 'General case' 0 N--CA 1.477 0.888 0 O-C-N 120.558 -1.339 . . . . 0.0 112.546 166.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 52.6 t -67.77 -33.02 74.03 Favored 'General case' 0 CA--C 1.54 0.572 0 O-C-N 121.118 -0.989 . . . . 0.0 112.291 178.195 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.7 mp -64.52 -19.01 65.34 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 124.461 1.104 . . . . 0.0 113.83 168.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 84.7 mttt -94.91 -30.4 14.18 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.578 1.151 . . . . 0.0 113.557 173.484 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 98.0 m-70 -140.95 7.7 2.06 Favored 'General case' 0 N--CA 1.479 1.022 0 N-CA-C 116.748 2.129 . . . . 0.0 116.748 -163.434 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 8.2 t 52.5 28.72 6.23 Favored 'General case' 0 CA--C 1.555 1.154 0 N-CA-C 115.789 1.774 . . . . 0.0 115.789 175.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -144.97 160.86 40.67 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 128.373 2.669 . . . . 0.0 109.171 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 11.8 t -76.01 157.4 33.07 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 119.551 1.068 . . . . 0.0 111.234 170.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 18.7 tt -64.38 134.73 96.08 Favored Pre-proline 0 CA--C 1.544 0.721 0 C-N-CA 124.364 1.066 . . . . 0.0 112.222 -170.236 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -69.96 111.03 2.74 Favored 'Trans proline' 0 C--N 1.348 0.541 0 C-N-CA 123.129 2.553 . . . . 0.0 110.73 178.682 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 40.5 ttm180 . . . . . 0 C--O 1.247 0.938 0 C-N-CA 127.463 2.305 . . . . 0.0 109.585 -173.676 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.537 0 N-CA-C 111.476 -0.649 . . . . 0.0 111.476 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 56.0 m -78.59 47.58 0.73 Allowed 'General case' 0 N--CA 1.481 1.075 0 C-N-CA 124.806 1.242 . . . . 0.0 113.352 178.03 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 74.9 -79.61 0.98 Allowed Glycine 0 CA--C 1.528 0.899 0 C-N-CA 124.852 1.215 . . . . 0.0 112.92 -179.209 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -144.65 -93.35 0.1 Allowed 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 125.595 1.558 . . . . 0.0 109.581 170.137 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 65.8 mtt -149.3 147.69 28.65 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 125.425 1.49 . . . . 0.0 109.496 172.137 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 22.0 mtmm -60.2 -49.02 79.29 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.782 0.833 . . . . 0.0 111.236 175.306 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 54.5 mp0 -63.12 -41.18 99.29 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.075 0.95 . . . . 0.0 111.875 -176.096 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 81.1 t80 -55.42 -47.67 75.58 Favored 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 124.753 1.221 . . . . 0.0 112.129 179.077 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.7 m -86.07 -22.41 27.18 Favored 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 114.405 1.261 . . . . 0.0 114.405 -177.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.8 -26.48 68.13 Favored 'General case' 0 CA--C 1.554 1.097 0 CA-C-N 120.41 1.459 . . . . 0.0 112.062 160.458 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -80.59 7.4 58.17 Favored Glycine 0 CA--C 1.54 1.602 0 C-N-CA 126.287 1.898 . . . . 0.0 114.974 168.358 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 80.7 mm-40 -122.95 -57.65 1.7 Allowed 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.537 1.535 . . . . 0.0 111.462 174.089 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 96.2 m -150.08 165.03 33.99 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 125.393 1.477 . . . . 0.0 113.356 -169.242 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 19.8 mtp-105 -130.22 -179.65 5.37 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 125.176 1.39 . . . . 0.0 112.1 172.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 90.36 123.94 2.71 Favored Glycine 0 CA--C 1.522 0.481 0 N-CA-C 107.967 -2.053 . . . . 0.0 107.967 -161.231 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 37.1 tttp -53.95 -34.53 59.94 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 124.934 1.294 . . . . 0.0 112.505 -174.685 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 5.6 p -77.95 -29.44 15.79 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 C-N-CA 124.443 1.097 . . . . 0.0 113.311 178.629 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.6 t -71.82 -44.43 63.93 Favored 'General case' 0 N--CA 1.471 0.618 0 O-C-N 121.508 -0.745 . . . . 0.0 110.347 172.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -62.69 -39.48 94.1 Favored 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 113.159 0.8 . . . . 0.0 113.159 170.369 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -68.92 -34.83 76.03 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 119.858 1.208 . . . . 0.0 112.878 176.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 49.3 t80 -62.45 -40.39 96.47 Favored 'General case' 0 N--CA 1.471 0.587 0 O-C-N 120.997 -1.064 . . . . 0.0 111.773 169.421 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 43.9 t -60.93 -35.0 75.56 Favored 'General case' 0 N--CA 1.471 0.583 0 O-C-N 121.079 -1.013 . . . . 0.0 111.86 174.074 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 6.2 mp -69.36 -3.22 13.27 Favored 'General case' 0 CA--C 1.548 0.897 0 N-CA-C 115.024 1.49 . . . . 0.0 115.024 174.032 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 44.7 mmtm -111.04 -24.17 10.5 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 126.2 1.8 . . . . 0.0 114.133 163.398 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -135.83 -3.17 2.31 Favored 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 117.421 2.378 . . . . 0.0 117.421 -161.687 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 3.4 t 57.68 22.47 8.39 Favored 'General case' 0 CA--C 1.554 1.101 0 N-CA-C 116.103 1.89 . . . . 0.0 116.103 -177.038 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 16.8 ptpt -143.42 165.65 26.95 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 126.445 1.898 . . . . 0.0 111.172 174.302 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 31.2 m -55.64 155.17 5.9 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 122.459 0.304 . . . . 0.0 111.814 166.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 13.5 tt -61.29 137.9 94.51 Favored Pre-proline 0 N--CA 1.476 0.864 0 CA-C-O 118.098 -0.953 . . . . 0.0 109.062 166.581 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_exo -52.83 121.94 10.15 Favored 'Trans proline' 0 CA--C 1.539 0.728 0 N-CA-C 116.771 1.796 . . . . 0.0 116.771 -147.357 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 13.3 ttp180 . . . . . 0 C--O 1.252 1.204 0 C-N-CA 128.586 2.754 . . . . 0.0 109.467 -173.193 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 1.023 0 N-CA-C 110.394 -1.082 . . . . 0.0 110.394 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.9 p -131.53 166.4 21.46 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 125.391 1.477 . . . . 0.0 112.465 173.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -82.26 172.85 52.86 Favored Glycine 0 CA--C 1.529 0.935 0 C-N-CA 124.117 0.865 . . . . 0.0 114.147 -176.361 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.1 m -108.91 -90.26 0.46 Allowed 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 124.302 1.041 . . . . 0.0 112.323 179.368 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 74.6 mtm -147.87 148.39 30.79 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 125.912 1.685 . . . . 0.0 108.766 170.147 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 55.9 mtmt -61.94 -48.68 79.31 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 123.611 0.764 . . . . 0.0 111.56 -178.667 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 33.7 mp0 -62.13 -40.54 96.28 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 123.712 0.805 . . . . 0.0 111.788 -178.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 66.8 t80 -62.93 -50.46 70.74 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 123.897 0.879 . . . . 0.0 111.601 176.085 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 57.5 m -64.77 -41.03 96.17 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 123.904 0.882 . . . . 0.0 112.419 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.47 -30.41 71.54 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 118.933 0.788 . . . . 0.0 112.777 175.733 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -69.46 -23.85 76.35 Favored Glycine 0 CA--C 1.537 1.439 0 O-C-N 121.423 -0.798 . . . . 0.0 114.556 174.748 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -118.97 -1.3 11.0 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 115.74 1.756 . . . . 0.0 115.74 -177.645 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -154.93 144.17 21.11 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 119.176 0.898 . . . . 0.0 112.421 -174.522 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 20.7 mmt85 -140.54 155.39 46.63 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.703 1.201 . . . . 0.0 114.068 -172.552 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 79.51 146.35 3.75 Favored Glycine 0 CA--C 1.534 1.224 0 N-CA-C 111.346 -0.702 . . . . 0.0 111.346 -162.424 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 64.1 mttm -55.77 -41.96 74.8 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 124.397 1.079 . . . . 0.0 113.273 -171.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.3 p -79.32 -33.54 15.6 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 N-CA-C 112.766 0.654 . . . . 0.0 112.766 -173.598 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -65.91 -47.73 73.8 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 125.006 1.322 . . . . 0.0 110.131 173.622 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -61.38 -40.48 94.48 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 113.277 0.843 . . . . 0.0 113.277 170.509 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -61.57 -39.8 92.46 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 119.14 0.882 . . . . 0.0 112.541 175.633 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 33.5 t80 -59.14 -41.04 87.34 Favored 'General case' 0 CA--C 1.538 0.498 0 O-C-N 122.056 -0.402 . . . . 0.0 111.825 172.163 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 45.5 t -68.01 -27.96 67.0 Favored 'General case' 0 CA--C 1.542 0.672 0 O-C-N 120.714 -1.241 . . . . 0.0 112.033 177.704 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 7.5 mp -78.67 -4.76 50.64 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 125.522 1.529 . . . . 0.0 114.455 170.414 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 57.1 mttp -108.99 -17.85 13.82 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 125.944 1.697 . . . . 0.0 113.564 169.431 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -143.25 -4.56 0.89 Allowed 'General case' 0 N--CA 1.477 0.909 0 N-CA-C 116.881 2.178 . . . . 0.0 116.881 -163.17 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 64.8 m 60.63 16.07 6.27 Favored 'General case' 0 N--CA 1.481 1.078 0 N-CA-C 116.709 2.114 . . . . 0.0 116.709 -175.261 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 17.9 ptpt -139.57 156.93 46.59 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 126.195 1.798 . . . . 0.0 111.802 177.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.7 t -69.7 156.58 38.76 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-O 121.281 0.562 . . . . 0.0 111.7 167.298 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 20.0 tt -73.72 123.59 89.49 Favored Pre-proline 0 CA--C 1.544 0.732 0 C-N-CA 124.319 1.047 . . . . 0.0 113.011 -164.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 97.9 Cg_endo -78.14 118.71 4.43 Favored 'Trans proline' 0 C--N 1.351 0.71 0 C-N-CA 122.857 2.371 . . . . 0.0 110.986 176.469 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 87.0 mtt-85 . . . . . 0 C--O 1.258 1.502 0 C-N-CA 125.295 1.438 . . . . 0.0 111.282 171.511 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.039 0 N-CA-C 111.848 -0.501 . . . . 0.0 111.848 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.8 m -146.75 10.15 1.05 Allowed 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 127.255 2.222 . . . . 0.0 113.681 5.419 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -91.57 157.74 24.83 Favored Glycine 0 CA--C 1.529 0.968 0 C-N-CA 125.156 1.36 . . . . 0.0 113.143 177.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -87.18 -56.94 3.15 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.693 1.197 . . . . 0.0 111.278 -176.029 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 44.8 mtm -157.7 132.83 8.78 Favored 'General case' 0 C--O 1.239 0.514 0 C-N-CA 128.461 2.704 . . . . 0.0 108.162 163.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 34.0 mtmm -63.79 -44.77 92.36 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 124.639 1.176 . . . . 0.0 111.054 176.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 52.9 mp0 -65.54 -41.04 93.47 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 123.571 0.748 . . . . 0.0 112.241 -177.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 62.2 t80 -61.73 -41.24 97.38 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 126.383 1.873 . . . . 0.0 112.005 179.254 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 42.0 t -73.9 -56.66 4.68 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-O 119.321 -0.371 . . . . 0.0 111.436 174.123 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.68 -30.89 71.73 Favored 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 113.407 0.891 . . . . 0.0 113.407 -171.493 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -73.92 -19.4 79.76 Favored Glycine 0 CA--C 1.534 1.232 0 CA-C-O 119.027 -0.874 . . . . 0.0 114.803 176.538 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 86.4 mm-40 -113.52 -33.0 6.02 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 118.985 1.392 . . . . 0.0 113.411 -175.06 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 86.0 m -130.07 137.27 50.12 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 125.455 1.502 . . . . 0.0 110.963 -171.66 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 78.8 mtm-85 -133.69 168.18 19.16 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 113.69 0.996 . . . . 0.0 113.69 -168.706 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 87.09 134.59 4.14 Favored Glycine 0 CA--C 1.531 1.052 0 C-N-CA 125.082 1.325 . . . . 0.0 110.172 -161.045 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 82.8 tttt -55.34 -30.47 60.32 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 125.519 1.527 . . . . 0.0 112.555 -176.143 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.3 p -76.79 -38.48 29.73 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 N-CA-C 113.071 0.767 . . . . 0.0 113.071 179.433 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 6.3 t -69.9 -44.58 69.42 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 119.366 0.984 . . . . 0.0 109.595 174.532 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 82.5 mt-30 -63.4 -11.01 19.66 Favored 'General case' 0 CA--C 1.551 1.009 0 N-CA-C 116.663 2.098 . . . . 0.0 116.663 170.454 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -93.99 -45.51 7.56 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 125.436 1.494 . . . . 0.0 112.48 168.038 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 15.7 t80 -58.75 -39.79 81.95 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 123.323 0.649 . . . . 0.0 111.499 179.485 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 31.6 p -67.58 -28.29 67.65 Favored 'General case' 0 CA--C 1.534 0.349 0 O-C-N 121.046 -1.033 . . . . 0.0 112.183 178.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.4 mp -78.74 -5.74 54.02 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.179 0.992 . . . . 0.0 113.462 175.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 83.0 mttt -109.63 -18.93 13.36 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 127.0 2.12 . . . . 0.0 112.845 172.652 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -141.66 -5.36 1.05 Allowed 'General case' 0 N--CA 1.481 1.101 0 N-CA-C 117.971 2.582 . . . . 0.0 117.971 -164.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 7.4 t 64.51 -2.71 0.61 Allowed 'General case' 0 N--CA 1.484 1.269 0 CA-C-N 122.516 2.416 . . . . 0.0 115.753 -169.119 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 69.2 mttt -114.09 147.7 38.32 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 125.742 1.617 . . . . 0.0 111.424 -173.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 40.7 m -75.35 145.67 41.5 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-O 120.773 0.32 . . . . 0.0 110.295 164.7 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 20.1 tt -67.8 130.1 93.06 Favored Pre-proline 0 CA--C 1.549 0.929 0 N-CA-C 114.12 1.155 . . . . 0.0 114.12 -159.245 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_endo -91.47 132.36 1.4 Allowed 'Trans proline' 0 CA--C 1.542 0.905 0 C-N-CA 123.651 2.901 . . . . 0.0 111.864 171.165 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 28.3 ptt180 . . . . . 0 C--O 1.253 1.261 0 C-N-CA 126.798 2.039 . . . . 0.0 111.987 -176.967 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.39 0 CA-C-O 119.317 -0.713 . . . . 0.0 111.642 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 90.5 p -144.32 157.97 43.99 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 124.647 1.179 . . . . 0.0 112.696 170.163 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -75.84 156.52 47.8 Favored Glycine 0 CA--C 1.533 1.192 0 N-CA-C 115.692 1.037 . . . . 0.0 115.692 -169.635 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.3 m -94.45 -88.73 0.24 Allowed 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.388 1.075 . . . . 0.0 112.217 179.707 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 72.2 mtm -149.13 137.75 21.08 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.577 1.151 . . . . 0.0 110.825 174.157 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 30.3 tttp -55.84 -39.02 70.84 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 125.379 1.471 . . . . 0.0 112.506 179.466 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 32.8 mp0 -66.75 -36.92 83.58 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.697 1.199 . . . . 0.0 112.975 176.277 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 64.7 t80 -71.11 -42.54 69.14 Favored 'General case' 0 N--CA 1.47 0.545 0 O-C-N 121.323 -0.86 . . . . 0.0 110.906 174.437 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 85.7 m -63.3 -39.82 95.64 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 123.512 0.725 . . . . 0.0 112.517 177.282 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.81 -28.3 62.48 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 118.959 0.799 . . . . 0.0 112.684 170.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -65.35 -46.02 88.18 Favored Glycine 0 CA--C 1.532 1.113 0 O-C-N 121.352 -0.842 . . . . 0.0 112.877 174.541 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 30.5 mm100 -98.07 -43.48 7.02 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.795 1.238 . . . . 0.0 114.298 -173.012 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 3.4 m -100.68 154.74 18.35 Favored 'General case' 0 CA--C 1.536 0.428 0 O-C-N 121.302 -0.874 . . . . 0.0 111.48 -166.341 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -138.52 144.33 39.9 Favored 'General case' 0 N--CA 1.471 0.585 0 N-CA-C 114.097 1.147 . . . . 0.0 114.097 178.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 91.43 140.28 8.95 Favored Glycine 0 CA--C 1.53 1.013 0 C-N-CA 124.808 1.194 . . . . 0.0 110.481 -163.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -62.3 -22.11 65.78 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 124.929 1.292 . . . . 0.0 113.515 -173.685 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 21.9 t -88.8 -37.43 10.15 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 C-N-CA 124.979 1.312 . . . . 0.0 111.269 177.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.6 m -65.61 -48.18 73.13 Favored 'General case' 0 C--O 1.232 0.155 0 C-N-CA 125.448 1.499 . . . . 0.0 111.575 175.638 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 90.7 mt-30 -60.3 -28.23 67.94 Favored 'General case' 0 CA--C 1.546 0.805 0 N-CA-C 113.893 1.071 . . . . 0.0 113.893 170.742 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -82.8 -33.99 27.1 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.263 1.025 . . . . 0.0 113.197 175.457 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 65.7 t80 -60.52 -33.8 73.16 Favored 'General case' 0 N--CA 1.471 0.616 0 O-C-N 120.62 -1.3 . . . . 0.0 111.157 172.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 20.4 t -68.44 -26.37 65.48 Favored 'General case' 0 CA--C 1.547 0.836 0 O-C-N 121.072 -1.017 . . . . 0.0 112.809 174.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.5 mp -78.26 -9.29 59.16 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 126.313 1.845 . . . . 0.0 114.049 169.745 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 58.2 mttp -101.97 -26.35 13.44 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 125.284 1.434 . . . . 0.0 112.453 169.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -140.48 2.54 1.84 Allowed 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 117.345 2.35 . . . . 0.0 117.345 -161.442 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 26.6 m 59.38 9.42 1.44 Allowed 'General case' 0 N--CA 1.482 1.128 0 N-CA-C 116.8 2.148 . . . . 0.0 116.8 -179.565 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.0 pttt -138.03 162.57 33.78 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 126.027 1.731 . . . . 0.0 111.825 172.288 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 68.6 m -73.88 157.79 35.67 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-O 121.649 0.738 . . . . 0.0 112.46 172.058 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.406 ' HA ' ' HD3' ' A' ' 30' ' ' PRO . 14.5 tt -75.08 138.1 72.48 Favored Pre-proline 0 CA--C 1.552 1.034 0 C-N-CA 123.749 0.819 . . . . 0.0 112.774 -170.153 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 29' ' ' ILE . 77.8 Cg_exo -60.22 165.43 10.8 Favored 'Trans proline' 0 C--N 1.355 0.907 0 C-N-CA 124.265 3.31 . . . . 0.0 115.066 177.172 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 6.6 ptt-85 . . . . . 0 C--O 1.25 1.1 0 C-N-CA 126.867 2.067 . . . . 0.0 113.057 -175.019 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.101 0 N-CA-C 110.218 -1.153 . . . . 0.0 110.218 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.5 p -78.54 -14.8 59.16 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 114.328 1.233 . . . . 0.0 114.328 -178.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 56.52 -124.63 35.63 Favored Glycine 0 CA--C 1.529 0.915 0 C-N-CA 124.272 0.939 . . . . 0.0 112.191 -179.706 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.8 t -66.33 -76.32 0.08 Allowed 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 123.203 0.601 . . . . 0.0 110.746 166.252 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 83.0 mtp -157.38 144.43 18.39 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 127.517 2.327 . . . . 0.0 107.225 158.247 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 85.5 mttt -59.33 -45.22 91.95 Favored 'General case' 0 N--CA 1.48 1.049 0 CA-C-N 119.736 1.153 . . . . 0.0 112.692 -178.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 6.8 mp0 -66.93 -37.29 84.06 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.418 1.087 . . . . 0.0 113.256 179.072 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 84.1 t80 -65.33 -47.85 75.08 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.784 0.834 . . . . 0.0 110.768 177.067 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 92.7 m -65.65 -38.81 90.38 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-O 118.852 -0.594 . . . . 0.0 112.093 177.587 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.32 -33.64 76.18 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 119.157 0.889 . . . . 0.0 113.205 173.648 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -75.32 -47.55 12.59 Favored Glycine 0 CA--C 1.532 1.111 0 C-N-CA 124.689 1.138 . . . . 0.0 113.427 177.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 50.7 mm-40 -81.76 -41.88 20.57 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 118.477 1.139 . . . . 0.0 113.196 -177.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 10.7 m -110.59 167.64 10.07 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.689 1.196 . . . . 0.0 112.642 -169.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 81.3 mmt-85 -134.43 -168.48 2.15 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 124.932 1.293 . . . . 0.0 114.039 -175.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 67.8 6.18 42.6 Favored Glycine 0 CA--C 1.534 1.251 0 C-N-CA 126.159 1.837 . . . . 0.0 117.408 164.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 49.2 tttm 59.39 -30.05 0.04 OUTLIER 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 131.395 3.878 . . . . 0.0 114.639 -168.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 94.8 t -77.1 -42.71 31.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 C-N-CA 127.551 2.34 . . . . 0.0 113.018 175.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 16.2 t -71.1 -36.17 72.08 Favored 'General case' 0 N--CA 1.474 0.73 0 O-C-N 120.896 -1.127 . . . . 0.0 110.994 175.09 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 57.3 mt-30 -57.86 -41.93 83.46 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 123.856 0.862 . . . . 0.0 112.658 165.526 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -67.82 -42.11 82.03 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.37 1.068 . . . . 0.0 111.869 177.632 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 10.2 t80 -61.94 -38.34 88.07 Favored 'General case' 0 CA--C 1.535 0.393 0 N-CA-C 112.28 0.474 . . . . 0.0 112.28 171.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 41.4 t -66.21 -30.08 70.46 Favored 'General case' 0 CA--C 1.54 0.595 0 O-C-N 120.998 -1.064 . . . . 0.0 111.918 175.497 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.1 mp -73.84 -9.54 58.75 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 126.023 1.729 . . . . 0.0 114.539 170.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 59.3 mttp -107.39 -22.33 12.61 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 126.428 1.891 . . . . 0.0 113.708 172.589 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -142.92 -1.34 1.1 Allowed 'General case' 0 N--CA 1.479 1.019 0 N-CA-C 117.399 2.37 . . . . 0.0 117.399 -163.172 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.6 m 58.21 13.27 2.24 Favored 'General case' 0 N--CA 1.485 1.3 0 N-CA-C 116.6 2.074 . . . . 0.0 116.6 -171.721 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.3 ptpt -133.86 153.54 51.67 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 125.169 1.388 . . . . 0.0 112.088 178.544 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 59.7 m -70.69 150.99 45.4 Favored 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 169.748 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 18.4 tt -68.01 137.29 92.09 Favored Pre-proline 0 CA--C 1.551 1.009 0 N-CA-C 113.224 0.824 . . . . 0.0 113.224 -163.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -61.62 155.72 51.8 Favored 'Trans proline' 0 C--N 1.35 0.639 0 C-N-CA 123.433 2.756 . . . . 0.0 113.336 171.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 25.0 ptt180 . . . . . 0 C--O 1.247 0.972 0 C-N-CA 126.019 1.728 . . . . 0.0 112.66 175.485 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.073 0 N-CA-C 111.356 -0.698 . . . . 0.0 111.356 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.6 m -69.33 123.78 22.11 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 117.441 0.62 . . . . 0.0 110.595 173.268 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 62.18 -163.1 26.68 Favored Glycine 0 CA--C 1.535 1.321 0 C-N-CA 124.742 1.163 . . . . 0.0 115.876 -178.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.8 t -63.55 -51.77 63.99 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 124.938 1.295 . . . . 0.0 113.058 -174.557 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -170.92 138.7 1.35 Allowed 'General case' 0 N--CA 1.465 0.325 0 C-N-CA 128.306 2.643 . . . . 0.0 108.553 155.227 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 50.6 mtmt -66.23 -41.99 89.28 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-N 118.356 0.526 . . . . 0.0 111.457 179.53 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 21.7 mp0 -62.95 -38.59 91.68 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 124.724 1.209 . . . . 0.0 112.34 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 23.4 t80 -65.92 -51.21 60.56 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 124.478 1.111 . . . . 0.0 110.933 175.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 90.4 m -60.04 -44.96 94.31 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 123.052 0.541 . . . . 0.0 112.376 178.151 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -74.5 -23.5 58.85 Favored 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 113.763 1.023 . . . . 0.0 113.763 178.595 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -68.81 -49.36 43.0 Favored Glycine 0 CA--C 1.529 0.922 0 O-C-N 121.19 -0.944 . . . . 0.0 111.749 169.757 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -72.64 -49.06 34.39 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.09 0.956 . . . . 0.0 113.323 -177.49 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 74.2 m -141.78 157.48 44.97 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 113.999 1.111 . . . . 0.0 113.999 -163.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 84.2 mtm-85 -141.17 177.56 7.99 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 124.055 0.942 . . . . 0.0 112.441 174.694 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 93.98 123.62 3.75 Favored Glycine 0 CA--C 1.526 0.779 0 N-CA-C 107.478 -2.249 . . . . 0.0 107.478 -151.334 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -51.91 -38.16 55.23 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 123.942 0.897 . . . . 0.0 111.738 -176.696 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 46.2 t -84.36 -30.15 7.23 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 C-N-CA 124.406 1.082 . . . . 0.0 112.261 -175.409 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.5 t -63.12 -45.33 92.47 Favored 'General case' 0 N--CA 1.472 0.66 0 O-C-N 121.101 -0.999 . . . . 0.0 111.21 168.72 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 80.8 mt-30 -61.83 -35.35 77.99 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 113.257 0.836 . . . . 0.0 113.257 169.68 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -68.7 -42.77 77.28 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-N 120.047 1.294 . . . . 0.0 112.754 179.063 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -61.62 -36.15 79.92 Favored 'General case' 0 N--CA 1.468 0.469 0 O-C-N 121.675 -0.641 . . . . 0.0 111.321 172.676 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 44.0 t -71.24 -32.64 68.99 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 123.329 0.652 . . . . 0.0 112.198 177.267 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.6 mp -67.71 -25.15 65.52 Favored 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 113.363 0.875 . . . . 0.0 113.363 169.325 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 54.7 mttp -92.13 -32.82 14.99 Favored 'General case' 0 N--CA 1.48 1.029 0 N-CA-C 114.535 1.309 . . . . 0.0 114.535 177.31 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -131.35 2.58 4.22 Favored 'General case' 0 N--CA 1.478 0.953 0 N-CA-C 114.778 1.399 . . . . 0.0 114.778 -165.252 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 4.0 t 62.04 6.8 1.87 Allowed 'General case' 0 CA--C 1.552 1.031 0 C-N-CA 126.406 1.883 . . . . 0.0 115.008 -171.655 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 32.8 mttp -124.45 143.03 50.86 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 126.32 1.848 . . . . 0.0 110.759 -174.196 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 54.5 m -67.84 152.11 46.1 Favored 'General case' 0 C--N 1.322 -0.625 0 C-N-CA 123.182 0.593 . . . . 0.0 110.112 171.573 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 15.8 tt -67.95 131.1 92.49 Favored Pre-proline 0 CA--C 1.542 0.667 0 CA-C-O 118.966 -0.54 . . . . 0.0 111.348 -170.746 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_endo -74.27 135.14 20.12 Favored 'Trans proline' 0 CA--C 1.535 0.559 0 C-N-CA 122.332 2.021 . . . . 0.0 109.963 172.689 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? . . . . . 0 C--O 1.251 1.138 0 C-N-CA 126.183 1.793 . . . . 0.0 111.638 179.693 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.841 0 N-CA-C 110.385 -1.086 . . . . 0.0 110.385 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.7 p -79.88 -32.95 40.36 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 123.745 0.818 . . . . 0.0 112.965 -178.357 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 87.52 128.66 2.75 Favored Glycine 0 CA--C 1.536 1.352 0 C-N-CA 125.861 1.696 . . . . 0.0 112.914 -176.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 7.8 t -58.9 -56.89 16.45 Favored 'General case' 0 CA--C 1.537 0.449 0 O-C-N 118.411 -2.817 . . . . 0.0 107.358 -47.779 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 91.5 mmm -122.15 140.01 53.06 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.863 0.865 . . . . 0.0 108.955 134.32 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.85 -42.63 99.82 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 125.352 1.461 . . . . 0.0 112.648 -168.283 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 11.4 mp0 -72.54 -35.61 68.09 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.057 0.943 . . . . 0.0 111.3 -177.715 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 46.5 t80 -63.26 -44.28 95.58 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 123.756 0.822 . . . . 0.0 111.459 170.682 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 23.0 m -62.16 -32.44 73.06 Favored 'General case' 0 CA--C 1.539 0.52 0 N-CA-C 113.295 0.85 . . . . 0.0 113.295 177.016 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -73.41 -23.92 60.21 Favored 'General case' 0 CA--C 1.548 0.884 0 N-CA-C 113.939 1.088 . . . . 0.0 113.939 172.237 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -78.56 -28.54 55.03 Favored Glycine 0 CA--C 1.536 1.401 0 C-N-CA 124.266 0.936 . . . . 0.0 113.511 169.619 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 74.3 mm-40 -88.73 -28.25 20.65 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 125.052 1.341 . . . . 0.0 114.401 179.242 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -153.36 148.42 26.71 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 123.359 0.664 . . . . 0.0 112.51 -163.345 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 11.2 ptp180 -147.54 160.47 42.58 Favored 'General case' 0 N--CA 1.478 0.967 0 N-CA-C 114.553 1.316 . . . . 0.0 114.553 177.531 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 84.87 135.96 3.41 Favored Glycine 0 CA--C 1.535 1.328 0 N-CA-C 109.883 -1.287 . . . . 0.0 109.883 -146.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 37.4 ttpt -66.75 -29.82 69.88 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 124.136 0.975 . . . . 0.0 113.223 -173.457 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 26.1 t -75.57 -37.14 36.38 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.942 0 C-N-CA 124.926 1.291 . . . . 0.0 111.15 175.015 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -64.26 -48.26 76.43 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 125.249 1.42 . . . . 0.0 110.932 174.111 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 83.5 mt-30 -64.29 -39.31 93.67 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-O 118.68 -0.676 . . . . 0.0 112.507 171.568 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -59.16 -40.65 86.23 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 119.832 1.196 . . . . 0.0 112.23 174.438 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 40.1 t80 -60.98 -42.77 99.0 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 118.034 0.379 . . . . 0.0 111.86 171.182 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 42.5 t -67.31 -34.36 77.2 Favored 'General case' 0 CA--C 1.537 0.476 0 O-C-N 120.649 -1.282 . . . . 0.0 112.065 178.143 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 7.4 mp -68.23 -15.02 63.41 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 125.017 1.327 . . . . 0.0 113.576 172.012 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 77.0 mttt -98.86 -32.46 11.33 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 125.957 1.703 . . . . 0.0 112.701 174.027 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -132.46 -1.38 3.52 Favored 'General case' 0 N--CA 1.477 0.911 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -160.143 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 69.1 m 61.54 14.87 6.26 Favored 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 116.606 2.076 . . . . 0.0 116.606 -179.358 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 63.9 pttt -141.93 161.8 37.07 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 124.953 1.301 . . . . 0.0 111.788 170.223 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.2 t -68.36 153.61 43.41 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-O 121.985 0.898 . . . . 0.0 111.74 170.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.419 ' HA ' ' HD3' ' A' ' 30' ' ' PRO . 20.8 tt -64.67 134.4 96.01 Favored Pre-proline 0 CA--C 1.551 1.013 0 C-N-CA 125.333 1.453 . . . . 0.0 112.895 -165.699 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 29' ' ' ILE . 50.4 Cg_exo -64.82 130.57 26.5 Favored 'Trans proline' 0 C--N 1.353 0.786 0 C-N-CA 123.229 2.619 . . . . 0.0 113.617 178.529 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 8.9 ptm180 . . . . . 0 C--O 1.253 1.287 0 C-N-CA 127.569 2.348 . . . . 0.0 112.583 -173.569 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.181 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 56.6 p -111.05 156.59 21.07 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.241 1.017 . . . . 0.0 113.314 178.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -79.76 157.78 42.13 Favored Glycine 0 N--CA 1.464 0.551 0 C-N-CA 124.83 1.205 . . . . 0.0 114.298 -176.612 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.3 m -91.23 -92.7 0.14 Allowed 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 125.166 1.386 . . . . 0.0 110.673 177.468 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 72.2 mtm -143.95 140.16 29.51 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.251 1.02 . . . . 0.0 110.542 173.014 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 42.5 mtmt -54.21 -43.04 70.43 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 126.298 1.839 . . . . 0.0 111.542 174.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -59.63 -44.89 93.32 Favored 'General case' 0 N--CA 1.473 0.702 0 N-CA-C 113.477 0.917 . . . . 0.0 113.477 178.595 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 79.6 t80 -67.94 -47.1 69.62 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 123.82 0.848 . . . . 0.0 110.603 175.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 99.3 m -64.32 -33.67 76.38 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 113.784 1.031 . . . . 0.0 113.784 -178.623 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -80.41 -14.31 58.42 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 114.156 1.169 . . . . 0.0 114.156 178.608 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -86.31 -48.09 4.69 Favored Glycine 0 CA--C 1.534 1.242 0 C-N-CA 124.406 1.003 . . . . 0.0 112.048 166.546 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 75.8 mm-40 -72.85 -26.06 61.33 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 114.213 1.19 . . . . 0.0 114.213 -178.302 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -145.18 145.93 31.55 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 123.731 0.813 . . . . 0.0 112.573 -172.746 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 31.2 mmm180 -135.5 144.78 46.54 Favored 'General case' 0 N--CA 1.481 1.101 0 N-CA-C 113.979 1.103 . . . . 0.0 113.979 -168.687 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 88.54 147.69 14.98 Favored Glycine 0 CA--C 1.531 1.06 0 C-N-CA 124.395 0.998 . . . . 0.0 111.255 -164.295 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 55.0 tttm -59.74 -40.8 89.3 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.141 0.976 . . . . 0.0 112.486 -167.257 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 11.5 p -74.52 -33.39 32.55 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 C-N-CA 124.985 1.314 . . . . 0.0 113.128 -178.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -72.71 -47.27 48.55 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 126.095 1.758 . . . . 0.0 109.763 -178.454 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 92.6 mt-30 -55.97 -41.48 74.82 Favored 'General case' 0 CA--C 1.545 0.784 0 N-CA-C 112.508 0.559 . . . . 0.0 112.508 165.188 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -66.49 -33.13 74.99 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 124.205 1.002 . . . . 0.0 113.102 179.754 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 26.1 t80 -59.95 -46.15 90.34 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 123.551 0.741 . . . . 0.0 112.156 169.436 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 53.6 t -65.45 -28.55 69.3 Favored 'General case' 0 CA--C 1.541 0.626 0 O-C-N 121.318 -0.864 . . . . 0.0 112.094 178.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.3 mp -73.06 2.37 7.19 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 125.78 1.632 . . . . 0.0 114.786 169.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 79.2 mttt -125.84 -13.84 6.29 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 125.049 1.339 . . . . 0.0 114.238 168.187 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 90.1 m-70 -137.26 -2.73 2.0 Favored 'General case' 0 N--CA 1.477 0.915 0 N-CA-C 115.622 1.712 . . . . 0.0 115.622 -168.532 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 3.4 t 59.4 6.43 0.77 Allowed 'General case' 0 CA--C 1.551 0.99 0 N-CA-C 116.061 1.874 . . . . 0.0 116.061 -174.01 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.9 ptmm? -130.71 166.0 21.69 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 126.374 1.87 . . . . 0.0 112.148 -178.684 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 6.8 t -72.53 161.46 30.77 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-O 121.293 0.568 . . . . 0.0 112.494 172.209 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 20.8 tt -69.04 149.26 97.83 Favored Pre-proline 0 CA--C 1.552 1.02 0 C-N-CA 127.02 2.128 . . . . 0.0 112.775 -171.318 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 94.2 Cg_exo -56.86 124.65 16.76 Favored 'Trans proline' 0 C--N 1.359 1.086 0 C-N-CA 123.527 2.818 . . . . 0.0 116.052 -165.225 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 18.8 ptt180 . . . . . 0 C--O 1.253 1.279 0 C-N-CA 126.25 1.82 . . . . 0.0 112.992 174.918 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.838 0 N-CA-C 110.861 -0.895 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.9 m -70.42 110.63 5.44 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 124.31 1.044 . . . . 0.0 111.639 -177.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 69.85 -76.68 0.42 Allowed Glycine 0 N--CA 1.468 0.796 0 C-N-CA 124.049 0.833 . . . . 0.0 111.088 -169.6 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.2 t -124.31 -69.9 0.78 Allowed 'General case' 0 CA--C 1.538 0.488 0 N-CA-C 107.679 -1.23 . . . . 0.0 107.679 159.126 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 58.4 mtt -144.73 148.95 34.76 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 125.122 1.369 . . . . 0.0 107.784 147.484 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 39.5 ttpt -60.97 -43.68 98.44 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 119.199 0.909 . . . . 0.0 111.338 174.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 61.2 mp0 -62.85 -41.75 99.48 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 124.344 1.058 . . . . 0.0 112.496 178.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 65.6 t80 -60.82 -51.77 67.9 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 124.417 1.087 . . . . 0.0 110.752 174.562 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 62.7 m -65.77 -36.66 84.18 Favored 'General case' 0 CA--C 1.537 0.46 0 N-CA-C 113.585 0.957 . . . . 0.0 113.585 179.756 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.12 -36.9 80.49 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 123.713 0.805 . . . . 0.0 112.768 176.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -70.46 -51.79 19.69 Favored Glycine 0 CA--C 1.533 1.206 0 C-N-CA 123.689 0.662 . . . . 0.0 112.789 173.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 35.4 mm-40 -67.53 -39.82 85.04 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 123.987 0.915 . . . . 0.0 112.739 -176.219 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 5.6 m -127.72 153.58 46.35 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.617 1.167 . . . . 0.0 111.894 -168.52 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 15.8 ptp180 -153.34 159.25 42.44 Favored 'General case' 0 N--CA 1.479 0.987 0 N-CA-C 115.591 1.7 . . . . 0.0 115.591 178.799 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 85.74 135.24 3.65 Favored Glycine 0 CA--C 1.533 1.204 0 N-CA-C 109.035 -1.626 . . . . 0.0 109.035 -146.441 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -62.03 -37.62 85.6 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 117.866 0.833 . . . . 0.0 112.516 -171.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 48.9 t -72.27 -32.78 44.03 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 C-N-CA 124.053 0.941 . . . . 0.0 111.488 178.585 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.3 m -65.15 -42.78 93.48 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 124.595 1.158 . . . . 0.0 111.721 173.711 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 84.3 mt-30 -67.93 -41.53 82.41 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 113.072 0.767 . . . . 0.0 113.072 171.002 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -65.67 -31.23 72.13 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.643 1.177 . . . . 0.0 113.45 178.339 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 54.3 t80 -65.65 -41.64 92.34 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.686 0.795 . . . . 0.0 112.381 166.396 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 52.9 t -66.46 -30.09 70.36 Favored 'General case' 0 CA--C 1.537 0.473 0 O-C-N 121.23 -0.919 . . . . 0.0 111.244 178.385 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.3 mp -65.66 -12.28 52.15 Favored 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 114.476 1.287 . . . . 0.0 114.476 169.471 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -102.54 -28.57 12.09 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 124.833 1.253 . . . . 0.0 113.281 168.426 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 83.7 m-70 -126.71 -6.49 6.26 Favored 'General case' 0 N--CA 1.477 0.878 0 N-CA-C 116.591 2.071 . . . . 0.0 116.591 -161.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 4.5 t 56.48 11.92 0.95 Allowed 'General case' 0 CA--C 1.553 1.079 0 N-CA-C 115.189 1.551 . . . . 0.0 115.189 -169.43 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 32.7 mttp -131.79 158.19 41.89 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 126.301 1.84 . . . . 0.0 109.882 -175.402 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 48.1 m -73.43 157.62 36.53 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-O 121.64 0.733 . . . . 0.0 112.112 171.519 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 19.7 tt -72.7 136.82 80.27 Favored Pre-proline 0 CA--C 1.543 0.678 0 C-N-CA 123.688 0.795 . . . . 0.0 112.879 -170.279 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 22.3 Cg_exo -70.72 109.41 2.49 Favored 'Trans proline' 0 CA--C 1.54 0.779 0 C-N-CA 123.481 2.787 . . . . 0.0 109.532 160.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 50.2 ptt85 . . . . . 0 C--O 1.254 1.302 0 C-N-CA 126.091 1.756 . . . . 0.0 113.436 -179.965 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.845 0 N-CA-C 110.799 -0.92 . . . . 0.0 110.799 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.9 m -77.96 29.37 0.17 Allowed 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 125.488 1.515 . . . . 0.0 115.004 -172.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 78.11 -168.61 54.12 Favored Glycine 0 CA--C 1.53 1.002 0 C-N-CA 126.086 1.803 . . . . 0.0 114.487 -174.014 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.2 m -135.52 -83.35 0.4 Allowed 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 125.892 1.677 . . . . 0.0 110.204 -176.163 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 85.7 mtp -148.23 134.98 19.95 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 126.092 1.757 . . . . 0.0 109.517 165.616 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 11.6 ptpt -68.38 -27.25 66.07 Favored 'General case' 0 N--CA 1.475 0.782 0 N-CA-C 113.909 1.077 . . . . 0.0 113.909 178.113 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 26.6 mp0 -64.03 -43.52 95.32 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 124.797 1.239 . . . . 0.0 111.963 170.328 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 18.8 t80 -70.2 -43.36 70.87 Favored 'General case' 0 N--CA 1.468 0.435 0 O-C-N 121.523 -0.736 . . . . 0.0 111.158 176.752 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 47.8 m -61.51 -36.72 81.32 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-O 118.357 -0.83 . . . . 0.0 112.984 174.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.21 -24.82 65.88 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 119.368 0.986 . . . . 0.0 113.099 172.455 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -74.73 -22.83 76.48 Favored Glycine 0 CA--C 1.534 1.28 0 C-N-CA 124.426 1.012 . . . . 0.0 114.182 170.572 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -99.95 -27.26 13.68 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 125.084 1.354 . . . . 0.0 114.03 179.015 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -158.13 145.38 18.04 Favored 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 113.042 0.756 . . . . 0.0 113.042 -158.084 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 9.5 ptp180 -146.96 162.6 38.41 Favored 'General case' 0 N--CA 1.476 0.827 0 N-CA-C 114.115 1.154 . . . . 0.0 114.115 174.684 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 90.93 144.87 13.05 Favored Glycine 0 CA--C 1.534 1.228 0 N-CA-C 110.472 -1.051 . . . . 0.0 110.472 -155.401 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 36.5 ttpt -56.23 -49.39 74.26 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 125.249 1.419 . . . . 0.0 112.117 -172.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 23.9 t -77.29 -33.47 19.97 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 C-N-CA 125.414 1.486 . . . . 0.0 111.291 -174.069 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.1 m -62.45 -49.41 75.55 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 125.347 1.459 . . . . 0.0 111.436 172.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -67.36 -37.38 83.12 Favored 'General case' 0 N--CA 1.468 0.449 0 N-CA-C 113.177 0.806 . . . . 0.0 113.177 172.763 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -59.79 -40.84 89.65 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 123.683 0.793 . . . . 0.0 112.022 174.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 34.1 t80 -60.8 -38.76 86.46 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 123.166 0.586 . . . . 0.0 112.193 170.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 35.0 t -70.11 -30.61 67.85 Favored 'General case' 0 CA--C 1.537 0.48 0 O-C-N 120.378 -1.451 . . . . 0.0 112.191 177.098 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 7.2 mp -76.3 1.0 17.32 Favored 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 114.405 1.261 . . . . 0.0 114.405 169.51 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 70.2 mttt -110.24 -21.07 12.42 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 126.148 1.779 . . . . 0.0 113.588 169.313 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 -144.45 -1.94 0.89 Allowed 'General case' 0 N--CA 1.48 1.059 0 N-CA-C 116.369 1.989 . . . . 0.0 116.369 -163.816 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 34.7 m 61.02 19.9 10.35 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 126.998 2.119 . . . . 0.0 116.395 -177.592 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 16.4 ptpt -150.79 162.61 40.41 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 126.789 2.036 . . . . 0.0 112.752 -177.533 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.7 t -75.0 155.43 37.34 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-O 122.403 1.097 . . . . 0.0 112.784 178.559 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 20.5 tt -68.79 133.78 90.33 Favored Pre-proline 0 CA--C 1.547 0.854 0 C-N-CA 125.322 1.449 . . . . 0.0 113.137 -168.327 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 78.6 Cg_endo -79.61 74.82 5.37 Favored 'Trans proline' 0 CA--C 1.54 0.796 0 C-N-CA 123.558 2.838 . . . . 0.0 110.314 177.225 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 8.2 ptm180 . . . . . 0 C--O 1.255 1.361 0 C-N-CA 126.513 1.925 . . . . 0.0 113.406 164.583 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.938 0 N-CA-C 109.711 -1.356 . . . . 0.0 109.711 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 99.0 p -110.1 -18.46 13.33 Favored 'General case' 0 N--CA 1.477 0.922 0 N-CA-C 114.423 1.268 . . . . 0.0 114.423 -179.085 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -163.84 160.99 33.88 Favored Glycine 0 CA--C 1.529 0.956 0 C-N-CA 124.69 1.138 . . . . 0.0 111.966 178.083 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 7.4 t -110.35 -83.28 0.57 Allowed 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 166.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 67.7 mtm -138.58 126.53 22.49 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 125.156 1.382 . . . . 0.0 108.712 164.235 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 25.2 ttpt -68.06 -26.58 65.93 Favored 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 114.359 1.244 . . . . 0.0 114.359 -165.414 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -81.77 -29.3 32.84 Favored 'General case' 0 N--CA 1.476 0.851 0 CA-C-N 119.282 0.946 . . . . 0.0 113.46 172.292 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 68.6 t80 -66.78 -41.69 87.25 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 124.083 0.953 . . . . 0.0 111.386 -179.185 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 96.3 m -72.52 -44.67 61.86 Favored 'General case' 0 CA--C 1.541 0.623 0 O-C-N 121.573 -0.704 . . . . 0.0 112.434 174.57 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.95 -29.33 69.72 Favored 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 114.068 1.136 . . . . 0.0 114.068 -178.71 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -77.84 -46.16 9.85 Favored Glycine 0 CA--C 1.528 0.898 0 C-N-CA 123.873 0.749 . . . . 0.0 113.448 176.121 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -70.99 -49.92 39.94 Favored 'General case' 0 CA--C 1.537 0.46 0 N-CA-C 113.506 0.928 . . . . 0.0 113.506 -175.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 74.6 m -130.72 157.89 41.58 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 124.698 1.199 . . . . 0.0 111.698 -164.36 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 69.4 mtt180 -144.69 166.94 23.77 Favored 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 113.775 1.028 . . . . 0.0 113.775 -175.768 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 90.4 128.09 3.68 Favored Glycine 0 CA--C 1.531 1.055 0 N-CA-C 107.763 -2.135 . . . . 0.0 107.763 -147.768 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 67.5 tttt -68.99 -23.03 64.06 Favored 'General case' 0 N--CA 1.472 0.645 0 O-C-N 121.953 -0.733 . . . . 0.0 112.329 -171.489 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 10.9 t -89.1 -28.31 5.23 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 C-N-CA 126.037 1.735 . . . . 0.0 111.383 174.442 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 16.1 t -61.14 -49.13 78.49 Favored 'General case' 0 N--CA 1.48 1.04 0 CA-C-N 119.653 1.115 . . . . 0.0 110.561 165.698 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 82.3 mt-30 -59.57 -42.38 92.32 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 123.392 0.677 . . . . 0.0 112.771 171.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -62.58 -39.84 95.0 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 113.549 0.944 . . . . 0.0 113.549 174.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 55.8 t80 -66.71 -36.66 83.0 Favored 'General case' 0 CA--C 1.536 0.438 0 O-C-N 121.337 -0.852 . . . . 0.0 111.147 176.46 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 43.7 t -69.73 -32.22 70.65 Favored 'General case' 0 CA--C 1.535 0.39 0 N-CA-C 112.604 0.594 . . . . 0.0 112.604 172.599 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.9 mp -62.34 -48.24 80.7 Favored 'General case' 0 CA--C 1.543 0.696 0 O-C-N 120.707 -1.246 . . . . 0.0 111.081 167.035 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 60.2 mttp -68.67 -31.78 71.14 Favored 'General case' 0 N--CA 1.476 0.868 0 N-CA-C 114.939 1.459 . . . . 0.0 114.939 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 94.3 m-70 -133.93 3.62 3.48 Favored 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 115.569 1.692 . . . . 0.0 115.569 -166.551 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . 0.254 1.8 t 54.94 11.25 0.46 Allowed 'General case' 0 N--CA 1.481 1.112 0 N-CA-C 116.683 2.105 . . . . 0.0 116.683 -177.23 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 9.4 ptpp? -132.5 151.32 51.95 Favored 'General case' 0 N--CA 1.466 0.327 0 C-N-CA 127.854 2.462 . . . . 0.0 109.212 174.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 70.0 m -75.82 159.49 30.95 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-O 121.16 0.505 . . . . 0.0 112.271 -177.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.45 ' HA ' ' HD3' ' A' ' 30' ' ' PRO . 15.9 tt -58.47 143.32 80.98 Favored Pre-proline 0 CA--C 1.551 0.992 0 C-N-CA 124.97 1.308 . . . . 0.0 112.452 -171.635 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.45 ' HD3' ' HA ' ' A' ' 29' ' ' ILE . 85.3 Cg_exo -57.54 149.43 66.86 Favored 'Trans proline' 0 C--N 1.357 0.99 0 C-N-CA 123.256 2.637 . . . . 0.0 116.63 -157.441 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 29.0 ptt180 . . . . . 0 C--O 1.258 1.505 0 C-N-CA 127.005 2.122 . . . . 0.0 114.051 -179.536 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.235 0 N-CA-C 110.393 -1.083 . . . . 0.0 110.393 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.5 m 52.65 38.75 26.86 Favored 'General case' 0 N--CA 1.48 1.046 0 CA-C-N 118.361 1.08 . . . . 0.0 113.529 176.534 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 109.47 -175.18 18.7 Favored Glycine 0 CA--C 1.531 1.08 0 C-N-CA 126.859 2.171 . . . . 0.0 112.782 -164.751 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 6.0 t -72.95 -78.11 0.09 Allowed 'General case' 0 CA--C 1.541 0.614 0 O-C-N 121.857 -0.79 . . . . 0.0 111.661 -174.023 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 71.3 mtp -151.8 129.41 11.49 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 127.238 2.215 . . . . 0.0 107.209 163.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 30.6 mtmm -68.0 -39.39 83.24 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 124.695 1.198 . . . . 0.0 112.698 -174.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -67.89 -45.77 73.51 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 123.676 0.79 . . . . 0.0 111.302 177.716 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 81.2 t80 -56.15 -53.55 55.71 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.556 1.142 . . . . 0.0 111.365 172.426 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 23.3 m -61.38 -32.07 71.98 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-O 118.111 -0.947 . . . . 0.0 113.088 -179.138 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.16 -31.35 69.95 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-N 120.026 1.285 . . . . 0.0 113.042 174.671 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -81.22 -25.49 54.86 Favored Glycine 0 CA--C 1.532 1.118 0 O-C-N 121.57 -0.706 . . . . 0.0 114.339 175.104 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 97.3 mm-40 -81.82 -48.01 12.12 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 117.817 0.809 . . . . 0.0 111.465 172.678 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 20.4 m -131.6 144.71 51.26 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 125.397 1.479 . . . . 0.0 111.746 -158.336 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 27.5 mmm180 -135.07 153.59 51.99 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 113.044 0.757 . . . . 0.0 113.044 -170.102 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 74.75 149.84 2.03 Favored Glycine 0 CA--C 1.532 1.118 0 CA-C-N 115.525 -0.761 . . . . 0.0 111.33 -162.529 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 53.7 tptt -55.42 -39.35 70.14 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 125.522 1.529 . . . . 0.0 112.473 -176.215 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 5.3 p -78.73 -34.29 17.32 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 N-CA-C 113.495 0.924 . . . . 0.0 113.495 -174.069 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.4 t -72.63 -42.26 64.62 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 118.372 0.533 . . . . 0.0 111.119 172.532 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -59.27 -42.2 90.68 Favored 'General case' 0 CA--C 1.546 0.816 0 N-CA-C 113.099 0.777 . . . . 0.0 113.099 168.355 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -62.99 -39.8 95.82 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.595 1.158 . . . . 0.0 112.334 175.779 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 17.8 t80 -62.44 -44.01 97.45 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 122.779 0.431 . . . . 0.0 112.056 171.226 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 36.6 t -64.73 -24.67 67.64 Favored 'General case' 0 N--CA 1.471 0.593 0 O-C-N 121.315 -0.865 . . . . 0.0 112.243 177.652 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.0 mp -81.17 -2.04 46.98 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 125.573 1.549 . . . . 0.0 114.754 172.621 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 51.0 mtmt -122.36 -19.48 6.43 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 125.434 1.493 . . . . 0.0 114.06 172.761 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 79.7 m-70 -137.69 1.87 2.37 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 125.33 1.452 . . . . 0.0 114.207 -169.393 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 4.2 t 45.55 35.57 2.11 Favored 'General case' 0 CA--C 1.548 0.901 0 N-CA-C 116.204 1.928 . . . . 0.0 116.204 -177.5 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 6.5 ptpp? -151.71 165.3 34.83 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 126.638 1.975 . . . . 0.0 110.477 173.331 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 29.7 m -76.33 148.18 37.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 117.603 0.183 . . . . 0.0 111.462 176.3 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 18.7 tt -59.31 138.6 88.65 Favored Pre-proline 0 CA--C 1.546 0.806 0 C-N-CA 124.137 0.975 . . . . 0.0 113.174 -169.574 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_exo -62.26 155.33 57.48 Favored 'Trans proline' 0 CA--C 1.536 0.608 0 C-N-CA 123.15 2.567 . . . . 0.0 115.144 178.647 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 13.8 ptm180 . . . . . 0 C--O 1.254 1.304 0 C-N-CA 126.258 1.823 . . . . 0.0 113.19 172.363 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.913 0 N-CA-C 110.215 -1.154 . . . . 0.0 110.215 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 77.2 p 54.96 111.75 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 127.265 2.226 . . . . 0.0 114.93 -170.756 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 71.45 -78.17 0.59 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 120.93 -1.106 . . . . 0.0 112.983 -177.666 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.2 m -126.98 -80.65 0.6 Allowed 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.644 1.577 . . . . 0.0 110.12 167.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 98.1 mtp -148.5 137.31 21.58 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 119.337 0.971 . . . . 0.0 110.942 173.107 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 45.2 mtmt -56.98 -45.34 82.98 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 125.206 1.402 . . . . 0.0 111.866 178.785 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 26.9 mp0 -69.45 -42.65 74.65 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 124.259 1.024 . . . . 0.0 111.288 -175.303 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 83.2 t80 -61.66 -50.37 72.8 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 124.603 1.161 . . . . 0.0 111.05 175.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 50.9 m -63.26 -34.18 77.1 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.101 0.96 . . . . 0.0 112.974 178.472 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.35 -19.76 63.02 Favored 'General case' 0 CA--C 1.546 0.798 0 N-CA-C 113.597 0.962 . . . . 0.0 113.597 176.124 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -87.11 -34.36 10.87 Favored Glycine 0 CA--C 1.535 1.334 0 C-N-CA 124.856 1.217 . . . . 0.0 113.063 168.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 15.3 mm-40 -71.08 -38.05 72.45 Favored 'General case' 0 CA--C 1.538 0.511 0 O-C-N 121.504 -0.998 . . . . 0.0 112.984 176.391 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.407 ' SG ' ' HB3' ' A' ' 18' ' ' SER . 0.1 OUTLIER -150.63 150.79 31.6 Favored 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 113.161 0.8 . . . . 0.0 113.161 -160.287 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 10.7 ptp85 -144.05 152.05 40.48 Favored 'General case' 0 N--CA 1.482 1.155 0 N-CA-C 115.162 1.541 . . . . 0.0 115.162 -179.232 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 92.28 143.99 13.25 Favored Glycine 0 CA--C 1.535 1.34 0 C-N-CA 124.928 1.251 . . . . 0.0 110.028 -157.336 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 30.7 mmmt -63.66 -36.04 82.53 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 118.019 0.91 . . . . 0.0 112.533 -170.676 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 14.2 t -79.08 -34.23 16.46 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 C-N-CA 124.513 1.125 . . . . 0.0 110.933 178.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.407 ' HB3' ' SG ' ' A' ' 13' ' ' CYS . 2.7 m -62.89 -46.78 86.25 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 124.083 0.953 . . . . 0.0 111.308 172.764 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -65.77 -38.97 90.49 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 113.512 0.93 . . . . 0.0 113.512 169.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -59.22 -41.25 88.18 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 120.123 1.328 . . . . 0.0 110.749 174.618 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 16.1 t80 -58.6 -39.04 79.29 Favored 'General case' 0 CA--C 1.538 0.51 0 O-C-N 121.472 -0.768 . . . . 0.0 112.253 174.279 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 35.1 t -72.5 -30.9 64.92 Favored 'General case' 0 CA--C 1.538 0.495 0 O-C-N 121.148 -0.97 . . . . 0.0 112.503 175.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 7.0 mp -74.57 -14.65 60.82 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 124.9 1.28 . . . . 0.0 113.854 170.165 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 47.1 mmtm -91.57 -31.03 16.07 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 125.26 1.424 . . . . 0.0 112.736 167.421 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.412 ' O ' ' HE3' ' A' ' 27' ' ' LYS . 98.5 m-70 -137.24 3.06 2.58 Favored 'General case' 0 N--CA 1.482 1.138 0 N-CA-C 117.274 2.324 . . . . 0.0 117.274 -162.264 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 68.5 m 58.05 18.79 5.43 Favored 'General case' 0 CA--C 1.552 1.029 0 CA-C-N 121.924 2.147 . . . . 0.0 115.755 -176.786 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.412 ' HE3' ' O ' ' A' ' 25' ' ' HIS . 10.2 ptpt -146.2 156.36 43.35 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 126.845 2.058 . . . . 0.0 111.557 -179.011 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 19.7 t -73.17 162.15 29.75 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-O 121.972 0.892 . . . . 0.0 111.946 176.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 16.9 tt -78.96 139.71 57.44 Favored Pre-proline 0 CA--C 1.548 0.903 0 C-N-CA 124.319 1.048 . . . . 0.0 111.87 -176.12 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo -62.84 145.21 94.61 Favored 'Trans proline' 0 CA--C 1.535 0.573 0 C-N-CA 123.13 2.553 . . . . 0.0 113.225 169.752 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 22.1 ptt-85 . . . . . 0 C--O 1.251 1.149 0 C-N-CA 125.5 1.52 . . . . 0.0 112.824 172.582 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.887 0 N-CA-C 109.661 -1.376 . . . . 0.0 109.661 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.3 m -72.22 108.45 5.39 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 118.348 1.074 . . . . 0.0 109.563 173.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 69.88 -94.87 0.45 Allowed Glycine 0 CA--C 1.532 1.107 0 O-C-N 121.576 -0.702 . . . . 0.0 111.642 -167.317 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.3 m -109.52 -96.26 0.4 Allowed 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 124.7 1.2 . . . . 0.0 109.142 160.312 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 67.0 mtm -150.6 144.82 25.51 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 124.867 1.267 . . . . 0.0 110.953 165.484 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -57.1 -45.17 83.6 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.297 1.039 . . . . 0.0 111.208 167.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -62.47 -32.99 73.97 Favored 'General case' 0 N--CA 1.477 0.912 0 N-CA-C 114.509 1.3 . . . . 0.0 114.509 -175.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 45.5 t80 -75.3 -53.81 8.14 Favored 'General case' 0 C--O 1.237 0.446 0 C-N-CA 123.486 0.715 . . . . 0.0 110.624 173.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -68.75 -20.51 64.37 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-O 117.875 -1.06 . . . . 0.0 113.44 -174.599 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.31 -17.73 55.1 Favored 'General case' 0 CA--C 1.546 0.817 0 CA-C-N 120.233 1.379 . . . . 0.0 113.875 171.258 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -90.19 -11.55 62.81 Favored Glycine 0 CA--C 1.54 1.62 0 CA-C-N 119.296 0.953 . . . . 0.0 114.895 170.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 72.7 mm-40 -116.27 -45.82 2.82 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-N 118.949 1.374 . . . . 0.0 112.608 -172.083 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 14.5 m -127.47 135.65 50.69 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 127.009 2.124 . . . . 0.0 110.044 -165.457 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 77.1 mtt85 -137.26 158.4 44.5 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 115.371 1.619 . . . . 0.0 115.371 -171.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 77.06 149.38 3.27 Favored Glycine 0 CA--C 1.532 1.115 0 CA-C-N 114.664 -1.153 . . . . 0.0 111.121 -160.489 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 39.5 ttmt -55.71 -34.45 65.12 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 124.922 1.289 . . . . 0.0 112.748 -174.443 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 47.2 t -81.15 -38.41 16.62 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 C-N-CA 124.233 1.013 . . . . 0.0 113.068 -173.292 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 10.8 t -67.95 -43.69 78.51 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 123.884 0.874 . . . . 0.0 110.944 172.085 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -61.89 -37.37 84.32 Favored 'General case' 0 CA--C 1.549 0.934 0 N-CA-C 113.496 0.925 . . . . 0.0 113.496 168.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -67.21 -35.42 79.57 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-N 119.86 1.209 . . . . 0.0 112.397 174.386 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 51.5 t80 -64.47 -39.8 94.48 Favored 'General case' 0 N--CA 1.47 0.568 0 O-C-N 121.276 -0.89 . . . . 0.0 112.024 168.376 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 41.3 t -62.79 -34.47 77.33 Favored 'General case' 0 N--CA 1.473 0.724 0 O-C-N 121.199 -0.938 . . . . 0.0 111.609 175.593 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.4 mp -67.67 -6.44 20.62 Favored 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 115.111 1.523 . . . . 0.0 115.111 172.78 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 11.0 mttm -115.04 -23.36 9.09 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 124.87 1.268 . . . . 0.0 112.43 172.112 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -140.86 2.05 1.73 Allowed 'General case' 0 CA--C 1.545 0.773 0 N-CA-C 117.037 2.236 . . . . 0.0 117.037 -163.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 73.2 m 55.39 15.46 1.41 Allowed 'General case' 0 CA--C 1.556 1.176 0 N-CA-C 116.68 2.104 . . . . 0.0 116.68 178.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -130.66 168.13 17.64 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 127.935 2.494 . . . . 0.0 110.24 175.248 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 21.7 m -73.59 167.63 20.94 Favored 'General case' 0 CA--C 1.543 0.695 0 O-C-N 122.342 -0.224 . . . . 0.0 110.966 167.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 19.9 tt -78.82 132.32 64.74 Favored Pre-proline 0 CA--C 1.549 0.934 0 CA-C-O 118.116 -0.945 . . . . 0.0 112.239 -177.14 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_exo -58.53 106.51 0.28 Allowed 'Trans proline' 0 CA--C 1.541 0.867 0 C-N-CA 123.487 2.791 . . . . 0.0 115.071 -173.081 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 91.9 mtt180 . . . . . 0 C--O 1.25 1.092 0 C-N-CA 126.992 2.117 . . . . 0.0 111.135 -177.276 . . . . . . . . 0 0 . 1 stop_ save_