data_2kq6_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 2kq6 _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 ' 7' ' ' SER . . . . . . . . . . . . . 36.2 t . . . . . 0 N--CA 1.467 0.386 0 CA-C-O 120.618 0.246 . . . . 0.0 111.431 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 74.5 mm-40 -67.45 -46.67 72.38 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 115.969 -0.559 . . . . 0.0 109.912 178.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 85.3 p -62.4 -42.56 99.52 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-O 120.99 0.424 . . . . 0.0 110.692 179.582 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 45.1 mt -65.18 -37.4 87.22 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.697 -179.129 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 79.6 ttt180 -59.27 -44.01 92.47 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 116.125 -0.488 . . . . 0.0 109.974 -179.63 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 98.2 mm-40 -58.78 152.49 18.92 Favored 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 179.324 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 144.62 18.95 0.19 Allowed Glycine 0 N--CA 1.475 1.28 0 N-CA-C 110.391 -1.084 . . . . 0.0 110.391 -178.379 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -67.13 59.35 0.24 Allowed Glycine 0 N--CA 1.472 1.088 0 N-CA-C 111.357 -0.697 . . . . 0.0 111.357 -179.482 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 63.65 -73.36 0.04 OUTLIER Glycine 0 C--N 1.337 0.637 0 N-CA-C 111.597 -0.601 . . . . 0.0 111.597 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 56.7 mtpt -82.58 107.57 15.32 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.9 tp -150.46 136.5 18.5 Favored 'General case' 0 C--O 1.224 -0.285 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 178.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.413 ' ND2' ' N ' ' A' ' 18' ' ' ASN . 0.1 OUTLIER -149.43 156.45 42.04 Favored 'General case' 0 CA--C 1.511 -0.553 0 N-CA-C 108.385 -0.968 . . . . 0.0 108.385 -179.694 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 44.0 p90 -31.27 -36.2 0.01 OUTLIER 'General case' 0 C--O 1.206 -1.192 0 O-C-N 124.945 1.403 . . . . 0.0 112.593 -177.358 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -71.71 -45.87 60.44 Favored 'General case' 0 N--CA 1.482 1.134 0 CA-C-O 121.719 0.771 . . . . 0.0 112.579 179.457 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 65.4 mm-40 -61.51 -45.93 92.13 Favored 'General case' 0 N--CA 1.483 1.223 0 N-CA-C 112.543 0.571 . . . . 0.0 112.543 -177.431 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.6 pp -76.5 -46.89 24.72 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 115.233 -0.894 . . . . 0.0 112.406 178.162 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.9 tmm_? -60.4 -49.41 77.7 Favored 'General case' 0 N--CA 1.495 1.797 0 C-N-CA 120.619 -0.432 . . . . 0.0 111.678 -175.695 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -59.17 -34.61 72.32 Favored 'General case' 0 CA--C 1.504 -0.793 0 CA-C-N 116.192 -0.458 . . . . 0.0 112.131 -178.63 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -71.49 -47.83 53.01 Favored 'General case' 0 N--CA 1.447 -0.595 0 CA-C-O 121.621 0.724 . . . . 0.0 110.409 176.375 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 60.7 mt -63.82 -31.8 73.09 Favored 'General case' 0 N--CA 1.498 1.973 0 CA-C-N 114.971 -1.013 . . . . 0.0 111.899 -176.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.4 ttpt -55.12 -43.88 74.51 Favored 'General case' 0 CA--C 1.549 0.933 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.786 178.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -63.2 -34.76 90.84 Favored Glycine 0 N--CA 1.474 1.207 0 N-CA-C 111.274 -0.73 . . . . 0.0 111.274 179.441 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -70.69 2.48 4.09 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 122.962 0.505 . . . . 0.0 111.517 -179.135 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 72.15 19.7 78.69 Favored Glycine 0 N--CA 1.46 0.272 0 CA-C-N 115.703 -0.681 . . . . 0.0 111.639 177.283 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -66.82 162.35 21.77 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 117.964 0.882 . . . . 0.0 110.181 -179.732 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 72.9 p -90.99 158.51 16.66 Favored 'General case' 0 CA--C 1.502 -0.89 0 CA-C-N 115.716 -0.675 . . . . 0.0 109.516 -176.398 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.457 ' O ' ' HG3' ' A' ' 37' ' ' GLU . 72.2 m-20 -63.29 -44.92 93.66 Favored 'General case' 0 C--O 1.212 -0.897 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 -179.825 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.18 -46.15 86.28 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 120.43 -0.508 . . . . 0.0 110.453 -179.134 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 65.2 mm-40 -65.64 -46.16 80.24 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-O 121.366 0.603 . . . . 0.0 110.475 -177.266 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 64.7 mt -56.85 -48.58 81.03 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.856 0 CA-C-N 114.673 -1.148 . . . . 0.0 108.65 -179.037 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.457 ' HG3' ' O ' ' A' ' 33' ' ' ASP . 77.1 mt-10 -59.56 -48.6 81.04 Favored 'General case' 0 CA--C 1.501 -0.916 0 C-N-CA 122.945 0.498 . . . . 0.0 111.592 -179.482 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.6 -44.78 95.44 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.964 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.4 mp -62.32 -47.86 91.05 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.946 0 C-N-CA 118.923 -1.111 . . . . 0.0 112.752 -174.676 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -67.74 -43.78 79.09 Favored 'General case' 0 CA--C 1.501 -0.936 0 CA-C-O 121.393 0.615 . . . . 0.0 110.198 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 26.9 m -58.02 -44.98 87.63 Favored 'General case' 0 C--N 1.347 0.471 0 CA-C-N 114.385 -1.279 . . . . 0.0 111.357 -176.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -64.78 -50.25 67.51 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 120.652 -0.419 . . . . 0.0 110.542 -179.667 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 36.6 m-85 -72.06 -33.01 67.6 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 119.022 -1.071 . . . . 0.0 110.175 -178.455 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -103.17 100.53 10.45 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 122.742 0.417 . . . . 0.0 110.439 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 34.6 mm-40 -63.24 -52.33 62.57 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-O 118.778 -0.63 . . . . 0.0 111.601 -176.525 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -106.94 -2.77 20.9 Favored 'General case' 0 C--N 1.364 1.237 0 CA-C-N 119.343 0.974 . . . . 0.0 111.611 177.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 39.91 42.8 2.3 Favored Glycine 0 N--CA 1.496 2.692 0 CA-C-N 117.717 0.235 . . . . 0.0 113.602 -178.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -115.57 -23.4 8.78 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 123.484 0.714 . . . . 0.0 111.627 -178.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.432 ' H ' ' NE2' ' A' ' 49' ' ' GLN . 2.5 pm0 -127.88 174.51 9.09 Favored 'General case' 0 N--CA 1.486 1.328 0 CA-C-O 121.441 0.639 . . . . 0.0 110.731 -178.352 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 19.8 mp0 -76.18 147.3 38.54 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 114.799 -1.091 . . . . 0.0 109.377 179.611 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -91.67 118.91 31.07 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.592 -177.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.0 t -79.75 -178.48 6.42 Favored 'General case' 0 N--CA 1.426 -1.668 0 CA-C-N 114.437 -1.256 . . . . 0.0 108.437 -175.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 92.3 mt-10 -69.44 -58.51 3.9 Favored 'General case' 0 C--N 1.299 -1.593 0 CA-C-N 113.058 -1.883 . . . . 0.0 111.633 -178.133 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 94.5 m-70 -56.88 -50.71 71.68 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 120.319 -0.553 . . . . 0.0 110.901 -174.503 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -60.22 -50.76 72.4 Favored 'General case' 0 C--N 1.343 0.296 0 CA-C-N 118.731 0.696 . . . . 0.0 110.608 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 55.3 t-80 -62.67 -50.54 70.78 Favored 'General case' 0 CA--C 1.549 0.942 0 CA-C-O 119.367 -0.349 . . . . 0.0 111.908 -179.471 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.617 HE21 ' N ' ' A' ' 57' ' ' GLN . 0.0 OUTLIER -62.53 -40.5 96.97 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-N 118.312 0.506 . . . . 0.0 111.479 -179.212 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 46.2 tt0 -59.4 -54.6 44.85 Favored 'General case' 0 N--CA 1.481 1.083 0 CA-C-N 118.086 0.403 . . . . 0.0 110.735 -177.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 36.4 mmt -62.1 -38.89 90.58 Favored 'General case' 0 C--N 1.348 0.515 0 O-C-N 122.445 -0.16 . . . . 0.0 110.677 -179.406 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 71.3 ttp85 -58.81 -48.2 82.12 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.466 -176.697 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 77.5 m-20 -62.83 -43.31 99.14 Favored 'General case' 0 CA--C 1.531 0.216 0 N-CA-C 109.897 -0.408 . . . . 0.0 109.897 179.071 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 56.2 m-20 -63.2 -47.04 84.25 Favored 'General case' 0 CA--C 1.545 0.775 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.587 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -64.28 -46.08 85.22 Favored 'General case' 0 N--CA 1.476 0.863 0 O-C-N 122.311 -0.243 . . . . 0.0 110.677 179.623 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 75.8 tt0 -58.26 -47.91 82.09 Favored 'General case' 0 C--N 1.348 0.539 0 C-N-CA 120.517 -0.473 . . . . 0.0 110.379 179.481 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 33.7 mmtm -60.85 -38.25 84.91 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 122.683 0.393 . . . . 0.0 111.662 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 90.4 mt-10 -70.81 -43.12 69.29 Favored 'General case' 0 N--CA 1.475 0.788 0 O-C-N 123.44 0.462 . . . . 0.0 109.875 178.36 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -55.01 -45.11 75.09 Favored 'General case' 0 N--CA 1.477 0.898 0 CA-C-O 120.698 0.285 . . . . 0.0 111.0 -179.27 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 . . . . . 0 N--CA 1.473 0.676 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 179.102 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 37.1 t . . . . . 0 N--CA 1.473 0.695 0 N-CA-C 112.012 0.375 . . . . 0.0 112.012 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -60.95 -40.71 94.38 Favored 'General case' 0 N--CA 1.481 1.117 0 CA-C-O 120.488 0.185 . . . . 0.0 110.927 -179.146 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 52.0 m -68.46 -47.38 67.28 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-O 121.155 0.502 . . . . 0.0 109.767 178.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 81.2 mt -63.27 -35.43 80.32 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.778 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 68.0 ttt-85 -58.84 -26.03 63.79 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 116.517 -0.311 . . . . 0.0 110.912 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -52.66 -69.24 0.12 Allowed 'General case' 0 N--CA 1.48 1.032 0 CA-C-O 120.562 0.22 . . . . 0.0 110.728 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 66.1 18.34 66.82 Favored Glycine 0 N--CA 1.471 0.967 0 N-CA-C 110.696 -0.962 . . . . 0.0 110.696 179.561 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -48.81 -20.38 1.77 Allowed Glycine 0 CA--C 1.53 0.989 0 N-CA-C 112.308 -0.317 . . . . 0.0 112.308 -179.676 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 105.83 -73.3 0.22 Allowed Glycine 0 N--CA 1.476 1.354 0 N-CA-C 110.369 -1.093 . . . . 0.0 110.369 179.461 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 57.2 mtpt -68.89 108.3 3.42 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.8 mt -146.85 128.9 15.53 Favored 'General case' 0 N--CA 1.483 1.216 0 N-CA-C 108.358 -0.979 . . . . 0.0 108.358 179.321 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -131.51 143.71 50.59 Favored 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 107.078 -1.452 . . . . 0.0 107.078 179.122 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 51.1 p90 -31.37 -34.24 0.01 OUTLIER 'General case' 0 C--O 1.21 -0.988 0 O-C-N 124.245 0.966 . . . . 0.0 113.066 -176.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -73.29 -45.13 57.4 Favored 'General case' 0 N--CA 1.481 1.095 0 N-CA-C 112.596 0.591 . . . . 0.0 112.596 178.408 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 68.8 mm-40 -60.88 -44.92 96.43 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 112.785 0.661 . . . . 0.0 112.785 -177.137 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.9 pp -76.85 -46.34 25.06 Favored 'General case' 0 CA--C 1.549 0.923 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.401 177.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.7 tmm_? -61.1 -49.85 75.64 Favored 'General case' 0 N--CA 1.485 1.284 0 O-C-N 122.356 -0.215 . . . . 0.0 111.353 -176.226 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -56.1 -35.36 66.96 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 112.422 0.527 . . . . 0.0 112.422 -178.644 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -72.74 -48.52 37.95 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 113.287 0.847 . . . . 0.0 113.287 177.298 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 24.9 mt -61.42 -31.57 71.5 Favored 'General case' 0 N--CA 1.483 1.193 0 CA-C-N 115.229 -0.896 . . . . 0.0 111.22 -177.317 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -56.42 -43.96 79.89 Favored 'General case' 0 CA--C 1.547 0.828 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 178.454 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.404 ' C ' ' H ' ' A' ' 30' ' ' GLY . . . -63.98 -35.91 92.6 Favored Glycine 0 CA--C 1.535 1.291 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.414 178.878 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -70.39 4.4 2.33 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 122.69 0.396 . . . . 0.0 111.503 -179.268 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.404 ' H ' ' C ' ' A' ' 28' ' ' GLY . . . 71.44 19.48 77.69 Favored Glycine 0 N--CA 1.469 0.86 0 CA-C-N 115.742 -0.663 . . . . 0.0 112.436 177.751 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -68.56 162.86 24.87 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 118.081 0.941 . . . . 0.0 110.183 179.37 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 68.2 p -94.57 159.72 14.96 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 115.296 -0.865 . . . . 0.0 110.11 -177.113 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -61.44 -41.57 97.4 Favored 'General case' 0 N--CA 1.462 0.151 0 N-CA-C 109.894 -0.41 . . . . 0.0 109.894 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.72 -47.06 87.16 Favored 'General case' 0 CA--C 1.542 0.672 0 O-C-N 123.324 0.39 . . . . 0.0 110.12 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 70.0 mm-40 -67.67 -46.78 71.38 Favored 'General case' 0 N--CA 1.477 0.92 0 O-C-N 121.363 -0.835 . . . . 0.0 110.712 -178.22 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 78.1 mt -57.72 -50.17 78.39 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.86 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.036 -177.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -64.19 -41.68 96.99 Favored 'General case' 0 C--N 1.349 0.562 0 CA-C-O 121.739 0.78 . . . . 0.0 111.754 -177.333 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.71 -44.6 85.63 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-N 115.404 -0.816 . . . . 0.0 111.368 -179.476 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.4 mp -62.15 -46.45 96.44 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 C-N-CA 119.847 -0.741 . . . . 0.0 112.483 -175.662 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -67.44 -38.4 84.46 Favored 'General case' 0 N--CA 1.478 0.942 0 CA-C-O 121.792 0.806 . . . . 0.0 110.959 -179.054 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 23.7 m -61.77 -46.53 89.19 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 114.219 -1.355 . . . . 0.0 111.861 -176.208 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 60.8 mttp -68.21 -48.94 63.84 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.417 179.349 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -72.36 -32.46 66.48 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 120.325 -0.55 . . . . 0.0 110.799 -177.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -109.64 106.07 15.59 Favored 'General case' 0 N--CA 1.494 1.731 0 N-CA-C 108.096 -1.076 . . . . 0.0 108.096 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 17.3 mm-40 -59.94 -50.4 73.92 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 112.764 0.653 . . . . 0.0 112.764 -176.088 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 28.0 t0 -106.11 -2.42 22.65 Favored 'General case' 0 N--CA 1.49 1.54 0 CA-C-N 119.37 0.987 . . . . 0.0 111.82 178.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 41.17 32.38 0.63 Allowed Glycine 0 N--CA 1.484 1.839 0 N-CA-C 113.811 0.285 . . . . 0.0 113.811 -179.242 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -114.35 -16.38 11.99 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 123.308 0.643 . . . . 0.0 111.497 -178.127 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -130.69 -172.05 2.71 Favored 'General case' 0 N--CA 1.488 1.471 0 C-N-CA 122.78 0.432 . . . . 0.0 110.738 -178.123 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 72.8 mm-40 -75.73 147.25 39.47 Favored 'General case' 0 C--N 1.342 0.244 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 -178.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 41.0 tp -90.42 123.3 34.02 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-O 121.764 0.793 . . . . 0.0 109.661 -176.537 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.412 ' CG2' ' H ' ' A' ' 53' ' ' GLU . 59.0 m -80.67 167.37 20.1 Favored 'General case' 0 N--CA 1.436 -1.133 0 CA-C-N 114.558 -1.201 . . . . 0.0 110.099 -177.269 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.412 ' H ' ' CG2' ' A' ' 52' ' ' THR . 71.0 mm-40 -72.34 -48.54 41.12 Favored 'General case' 0 N--CA 1.438 -1.065 0 CA-C-N 112.572 -2.104 . . . . 0.0 109.708 -179.57 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 84.7 t60 -54.64 -50.68 67.56 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 119.801 -0.76 . . . . 0.0 110.294 -175.602 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 71.4 mt-10 -62.34 -44.74 95.77 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 118.686 0.675 . . . . 0.0 110.112 179.201 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 -65.69 -54.34 28.74 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 111.966 0.358 . . . . 0.0 111.966 -179.085 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -57.32 -38.51 74.17 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 118.361 0.528 . . . . 0.0 110.752 -178.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 7.6 tp-100 -64.66 -54.59 29.31 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 179.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 30.4 tpp -62.58 -36.01 81.34 Favored 'General case' 0 C--N 1.351 0.644 0 CA-C-O 121.538 0.685 . . . . 0.0 110.893 -179.303 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 70.1 ttp85 -58.7 -47.57 84.11 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.344 -178.239 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -60.91 -36.51 79.46 Favored 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 179.206 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 74.8 m-20 -65.08 -40.22 94.34 Favored 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 178.729 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.2 tp -59.58 -49.2 78.69 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.221 -179.392 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 71.8 mm-40 -57.02 -43.92 82.34 Favored 'General case' 0 CA--C 1.552 1.052 0 C-N-CA 120.594 -0.443 . . . . 0.0 110.187 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 13.4 tmtt? -62.97 -44.52 95.83 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 122.792 0.437 . . . . 0.0 111.256 179.627 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 -66.21 -43.49 86.57 Favored 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 110.225 -0.287 . . . . 0.0 110.225 179.013 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 75.0 mtp180 -55.08 -43.06 73.56 Favored 'General case' 0 N--CA 1.481 1.08 0 CA-C-N 117.009 -0.087 . . . . 0.0 110.896 179.636 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 . . . . . 0 N--CA 1.48 1.062 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 179.414 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 54.1 m . . . . . 0 N--CA 1.469 0.511 0 CA-C-O 119.992 -0.051 . . . . 0.0 110.952 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 75.1 tt0 -70.95 -40.13 72.2 Favored 'General case' 0 N--CA 1.479 0.976 0 N-CA-C 110.544 -0.169 . . . . 0.0 110.544 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 47.5 t -59.86 -51.42 69.77 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-O 121.027 0.441 . . . . 0.0 111.106 -179.19 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 21.0 mt -61.74 -43.56 98.62 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.894 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.448 ' O ' ' N ' ' A' ' 13' ' ' GLY . 59.8 ttp180 -67.04 -54.04 25.45 Favored 'General case' 0 C--N 1.345 0.399 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.33 -179.075 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 53.92 -78.25 0.01 OUTLIER 'General case' 0 CA--C 1.546 0.813 0 CA-C-N 115.422 -0.808 . . . . 0.0 111.23 -179.454 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 11' ' ' ARG . . . 75.78 16.3 80.75 Favored Glycine 0 N--CA 1.468 0.801 0 N-CA-C 110.636 -0.986 . . . . 0.0 110.636 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -74.96 -21.91 77.68 Favored Glycine 0 N--CA 1.469 0.871 0 N-CA-C 110.976 -0.849 . . . . 0.0 110.976 179.675 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 102.53 -33.73 6.32 Favored Glycine 0 N--CA 1.48 1.605 0 N-CA-C 111.154 -0.778 . . . . 0.0 111.154 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 44.8 mtmt -119.94 126.67 51.46 Favored 'General case' 0 N--CA 1.481 1.089 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 179.482 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.2 tp -154.65 138.6 16.34 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 -179.554 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 14.5 p30 -157.05 165.16 36.88 Favored 'General case' 0 CA--C 1.514 -0.405 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 179.316 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 24.0 p90 -31.3 -41.93 0.04 OUTLIER 'General case' 0 C--O 1.203 -1.35 0 O-C-N 124.75 1.281 . . . . 0.0 113.522 -177.368 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -72.24 -44.82 62.3 Favored 'General case' 0 N--CA 1.483 1.186 0 N-CA-C 112.795 0.665 . . . . 0.0 112.795 -179.199 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 65.8 mm-40 -63.07 -45.35 92.59 Favored 'General case' 0 N--CA 1.481 1.1 0 CA-C-N 115.464 -0.789 . . . . 0.0 112.721 -176.017 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.8 pp -77.5 -47.56 19.28 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.658 -0.701 . . . . 0.0 112.847 178.355 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.9 ppt_? -60.88 -45.85 92.94 Favored 'General case' 0 N--CA 1.494 1.76 0 C-N-CA 120.082 -0.647 . . . . 0.0 111.899 -173.202 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -56.16 -35.39 67.14 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.711 -0.677 . . . . 0.0 112.193 -178.076 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -72.36 -48.4 42.06 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 123.678 0.791 . . . . 0.0 112.687 178.227 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 95.9 mt -61.91 -31.47 71.78 Favored 'General case' 0 N--CA 1.484 1.251 0 CA-C-N 114.893 -1.048 . . . . 0.0 111.363 -177.427 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.2 ttpt -56.06 -45.45 79.29 Favored 'General case' 0 CA--C 1.547 0.83 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 178.555 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -62.01 -35.51 91.53 Favored Glycine 0 CA--C 1.533 1.173 0 N-CA-C 111.135 -0.786 . . . . 0.0 111.135 178.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -70.68 2.96 3.51 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 122.844 0.458 . . . . 0.0 111.157 -179.364 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 72.04 19.75 78.58 Favored Glycine 0 N--CA 1.466 0.657 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.943 177.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -66.93 162.38 22.01 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 117.7 0.75 . . . . 0.0 110.272 179.52 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.431 ' HG1' ' H ' ' A' ' 35' ' ' GLU . 60.4 p -96.04 162.99 13.32 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 115.09 -0.959 . . . . 0.0 109.69 -176.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 -61.8 -40.19 94.35 Favored 'General case' 0 C--O 1.234 0.267 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.32 -46.97 87.12 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 179.669 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.431 ' H ' ' HG1' ' A' ' 32' ' ' THR . 73.8 mt-10 -69.37 -48.07 62.37 Favored 'General case' 0 N--CA 1.472 0.627 0 O-C-N 121.205 -0.934 . . . . 0.0 110.028 -178.244 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 78.8 mt -57.14 -50.53 76.24 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.812 -176.702 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -64.1 -38.58 91.59 Favored 'General case' 0 C--N 1.349 0.581 0 CA-C-O 121.197 0.522 . . . . 0.0 111.21 -178.306 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.01 -45.36 81.83 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.037 -179.418 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.4 mp -61.94 -46.59 96.17 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.759 0 C-N-CA 120.082 -0.647 . . . . 0.0 112.035 -175.56 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -67.18 -41.0 86.62 Favored 'General case' 0 CA--C 1.508 -0.642 0 CA-C-O 121.263 0.554 . . . . 0.0 109.53 -179.495 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 16.6 m -61.09 -46.53 90.26 Favored 'General case' 0 C--N 1.35 0.595 0 CA-C-N 114.853 -1.067 . . . . 0.0 111.097 -175.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 60.5 mttp -69.6 -48.79 58.9 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.377 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -71.84 -32.09 67.18 Favored 'General case' 0 C--O 1.209 -1.037 0 C-N-CA 119.204 -0.998 . . . . 0.0 109.969 -176.487 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -112.67 105.35 13.49 Favored 'General case' 0 N--CA 1.483 1.191 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 -179.205 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 27.2 mm-40 -60.1 -50.89 71.93 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 120.746 -0.382 . . . . 0.0 111.833 -177.005 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 64.0 m-20 -105.77 -2.48 23.15 Favored 'General case' 0 N--CA 1.482 1.129 0 CA-C-N 118.719 0.69 . . . . 0.0 111.685 179.209 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 48.3 26.47 4.9 Favored Glycine 0 N--CA 1.484 1.9 0 C-N-CA 121.47 -0.395 . . . . 0.0 112.371 -179.286 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 70.4 m-20 -117.43 -18.71 9.76 Favored 'General case' 0 N--CA 1.489 1.493 0 C-N-CA 123.35 0.66 . . . . 0.0 111.848 -178.507 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.5 pp0? -120.19 164.2 16.59 Favored 'General case' 0 N--CA 1.49 1.527 0 C-N-CA 123.276 0.63 . . . . 0.0 110.566 -177.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -76.52 147.41 37.78 Favored 'General case' 0 C--N 1.343 0.298 0 C-N-CA 124.144 0.978 . . . . 0.0 109.516 178.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -91.93 118.91 31.2 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-O 122.123 0.964 . . . . 0.0 111.06 -178.327 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.9 t -79.9 -178.1 6.29 Favored 'General case' 0 CA--C 1.493 -1.237 0 CA-C-N 113.426 -1.715 . . . . 0.0 108.218 -177.679 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 92.2 mt-10 -65.26 -58.75 5.17 Favored 'General case' 0 C--N 1.308 -1.212 0 CA-C-N 113.782 -1.554 . . . . 0.0 111.026 -177.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 65.9 m80 -54.76 -50.28 68.8 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 120.364 -0.534 . . . . 0.0 110.499 -174.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 70.6 mm-40 -61.22 -48.01 83.45 Favored 'General case' 0 C--O 1.218 -0.597 0 CA-C-N 118.137 0.426 . . . . 0.0 109.965 178.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 41.5 t-80 -62.55 -53.09 59.91 Favored 'General case' 0 CA--C 1.551 1.015 0 N-CA-C 112.363 0.505 . . . . 0.0 112.363 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.424 ' NE2' ' N ' ' A' ' 57' ' ' GLN . 0.5 OUTLIER -61.53 -38.26 86.75 Favored 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 111.78 0.289 . . . . 0.0 111.78 -178.621 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 83.5 mt-30 -60.83 -53.99 50.65 Favored 'General case' 0 N--CA 1.478 0.932 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 34.2 mmt -63.42 -36.71 84.65 Favored 'General case' 0 C--N 1.344 0.358 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 58.2 ttp180 -60.53 -48.81 80.12 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 119.475 -0.89 . . . . 0.0 110.381 -178.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 75.9 m-20 -62.3 -36.74 83.07 Favored 'General case' 0 C--N 1.344 0.337 0 CA-C-O 120.916 0.389 . . . . 0.0 110.518 -179.232 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 74.1 m-20 -64.32 -41.38 96.85 Favored 'General case' 0 C--O 1.224 -0.259 0 CA-C-N 115.403 -0.817 . . . . 0.0 108.837 179.302 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.2 tp -61.19 -50.27 73.82 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.459 -179.297 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 72.1 mt-10 -57.17 -46.73 82.53 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 120.554 -0.459 . . . . 0.0 109.853 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -60.91 -43.2 98.88 Favored 'General case' 0 N--CA 1.477 0.894 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.37 179.47 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 90.5 mt-10 -66.56 -46.3 76.53 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 179.465 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 76.5 mtp180 -52.64 -46.15 66.97 Favored 'General case' 0 N--CA 1.481 1.122 0 N-CA-C 111.381 0.141 . . . . 0.0 111.381 -179.676 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 . . . . . 0 N--CA 1.479 0.995 0 CA-C-O 120.788 0.327 . . . . 0.0 110.169 179.303 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 50.0 m . . . . . 0 N--CA 1.472 0.631 0 N-CA-C 111.707 0.262 . . . . 0.0 111.707 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 77.0 tt0 -60.46 -39.44 87.59 Favored 'General case' 0 N--CA 1.481 1.077 0 CA-C-N 117.687 0.221 . . . . 0.0 110.497 -178.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 89.0 p -64.22 -39.92 94.96 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 178.629 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 56.4 mt -66.32 -40.78 90.16 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.573 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -58.46 -25.74 62.6 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 122.08 0.152 . . . . 0.0 110.967 -178.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -46.0 -75.95 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.092 0 O-C-N 123.071 0.232 . . . . 0.0 111.059 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.409 ' C ' ' H ' ' A' ' 15' ' ' GLY . . . 56.69 18.58 24.82 Favored Glycine 0 N--CA 1.474 1.17 0 N-CA-C 110.981 -0.847 . . . . 0.0 110.981 179.152 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -56.41 -7.89 2.29 Favored Glycine 0 CA--C 1.532 1.133 0 N-CA-C 111.833 -0.507 . . . . 0.0 111.833 -179.512 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.409 ' H ' ' C ' ' A' ' 13' ' ' GLY . . . 105.1 -62.11 0.36 Allowed Glycine 0 N--CA 1.474 1.177 0 N-CA-C 110.54 -1.024 . . . . 0.0 110.54 179.145 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 41.4 mtmt -82.69 107.74 15.54 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 179.704 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.8 tp -151.2 136.2 17.41 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 109.584 -0.525 . . . . 0.0 109.584 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 21.2 p30 -155.56 164.01 39.22 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.057 -0.719 . . . . 0.0 109.057 179.355 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 29.9 p90 -30.95 -40.54 0.03 OUTLIER 'General case' 0 CA--C 1.547 0.862 0 O-C-N 124.641 1.213 . . . . 0.0 113.017 -177.408 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -73.69 -45.32 53.11 Favored 'General case' 0 N--CA 1.486 1.349 0 CA-C-O 121.31 0.576 . . . . 0.0 112.483 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 67.3 mm-40 -61.54 -45.03 95.91 Favored 'General case' 0 N--CA 1.478 0.958 0 CA-C-O 121.185 0.517 . . . . 0.0 112.077 -176.466 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.1 pp -76.46 -46.85 25.08 Favored 'General case' 0 CA--C 1.547 0.832 0 CA-C-N 115.588 -0.733 . . . . 0.0 112.341 178.416 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 8.0 tmm_? -61.31 -49.97 74.84 Favored 'General case' 0 N--CA 1.487 1.418 0 N-CA-C 112.077 0.399 . . . . 0.0 112.077 -175.376 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -59.97 -34.87 73.86 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.903 -178.732 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -71.62 -48.17 49.72 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-O 121.442 0.639 . . . . 0.0 110.203 175.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 22.6 mt -62.97 -32.05 73.3 Favored 'General case' 0 N--CA 1.494 1.735 0 CA-C-N 114.877 -1.056 . . . . 0.0 111.779 -176.546 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.2 ttpt -55.34 -43.39 74.96 Favored 'General case' 0 CA--C 1.55 0.95 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 178.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -64.11 -35.77 92.41 Favored Glycine 0 CA--C 1.534 1.267 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.744 179.081 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -70.55 2.91 3.47 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 122.702 0.401 . . . . 0.0 111.337 -178.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 71.48 19.42 77.71 Favored Glycine 0 N--CA 1.467 0.742 0 CA-C-N 115.707 -0.679 . . . . 0.0 112.275 177.32 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -67.07 162.47 22.17 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-N 117.832 0.816 . . . . 0.0 110.399 179.76 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 71.8 p -90.37 158.91 16.88 Favored 'General case' 0 CA--C 1.503 -0.861 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.44 -176.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.463 ' O ' ' HG3' ' A' ' 37' ' ' GLU . 73.3 m-20 -62.89 -45.21 93.6 Favored 'General case' 0 C--O 1.213 -0.817 0 N-CA-C 109.786 -0.449 . . . . 0.0 109.786 -179.647 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.51 -46.52 86.57 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 120.519 -0.472 . . . . 0.0 110.889 -179.482 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 62.2 mm-40 -65.61 -42.41 91.64 Favored 'General case' 0 N--CA 1.479 0.986 0 CA-C-O 121.175 0.512 . . . . 0.0 110.839 -176.617 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 66.9 mt -57.34 -47.11 85.18 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.514 0 CA-C-N 115.356 -0.838 . . . . 0.0 109.053 179.663 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.463 ' HG3' ' O ' ' A' ' 33' ' ' ASP . 76.8 mt-10 -57.87 -47.03 83.92 Favored 'General case' 0 CA--C 1.507 -0.706 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.53 -179.45 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.11 -44.68 96.98 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.392 -179.622 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.6 mp -63.48 -47.22 92.64 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.9 0 C-N-CA 118.872 -1.131 . . . . 0.0 111.369 -175.444 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -67.95 -44.78 76.0 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-O 121.69 0.757 . . . . 0.0 110.926 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 40.9 m -59.23 -46.72 87.72 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-N 114.312 -1.313 . . . . 0.0 111.803 -176.737 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -69.62 -48.97 58.2 Favored 'General case' 0 N--CA 1.446 -0.655 0 C-N-CA 121.064 -0.255 . . . . 0.0 110.366 -179.64 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 -71.28 -32.14 68.32 Favored 'General case' 0 C--N 1.352 0.699 0 C-N-CA 119.69 -0.804 . . . . 0.0 110.167 -176.667 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -112.24 103.6 11.76 Favored 'General case' 0 N--CA 1.483 1.223 0 N-CA-C 108.998 -0.741 . . . . 0.0 108.998 -179.125 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.451 ' N ' ' NE2' ' A' ' 45' ' ' GLN . 1.2 mp0 -60.19 -51.2 70.58 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-O 118.905 -0.569 . . . . 0.0 111.184 -176.779 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 65.4 m-20 -106.04 -2.23 22.99 Favored 'General case' 0 N--CA 1.488 1.438 0 CA-C-N 119.025 0.83 . . . . 0.0 112.31 179.196 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 43.89 34.57 2.98 Favored Glycine 0 N--CA 1.489 2.231 0 CA-C-N 117.611 0.187 . . . . 0.0 113.423 -178.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -116.19 -19.74 10.12 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 123.329 0.652 . . . . 0.0 112.253 -178.088 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -125.71 169.62 12.36 Favored 'General case' 0 N--CA 1.494 1.773 0 CA-C-O 121.134 0.492 . . . . 0.0 110.984 -177.856 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -75.94 147.1 39.18 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 123.541 0.736 . . . . 0.0 109.208 179.446 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -91.93 118.43 30.74 Favored 'General case' 0 N--CA 1.481 1.095 0 CA-C-O 121.939 0.876 . . . . 0.0 110.598 -178.186 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 4.9 t -79.62 -177.98 6.12 Favored 'General case' 0 CA--C 1.498 -1.048 0 CA-C-N 114.169 -1.378 . . . . 0.0 109.263 -176.515 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 91.1 mt-10 -63.53 -60.77 2.91 Favored 'General case' 0 C--N 1.311 -1.086 0 CA-C-N 114.101 -1.409 . . . . 0.0 111.331 -178.015 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 46.4 t-80 -56.3 -50.41 71.51 Favored 'General case' 0 N--CA 1.479 0.975 0 C-N-CA 120.354 -0.538 . . . . 0.0 110.988 -174.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 44.7 tp10 -60.45 -49.33 77.99 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 118.678 0.672 . . . . 0.0 110.105 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 21.4 t60 -63.54 -50.68 68.58 Favored 'General case' 0 CA--C 1.549 0.916 0 N-CA-C 111.861 0.319 . . . . 0.0 111.861 -179.63 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.608 HE21 ' N ' ' A' ' 57' ' ' GLN . 0.0 OUTLIER -60.18 -42.21 94.53 Favored 'General case' 0 CA--C 1.552 1.026 0 CA-C-N 118.419 0.554 . . . . 0.0 111.443 -178.931 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 79.5 mm-40 -60.18 -54.51 45.02 Favored 'General case' 0 N--CA 1.481 1.118 0 CA-C-N 117.592 0.178 . . . . 0.0 110.966 -178.525 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 35.9 mmt -61.55 -39.99 93.08 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-O 120.956 0.408 . . . . 0.0 110.567 -179.33 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 60.4 ttp180 -59.79 -48.63 80.91 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.809 -178.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -65.34 -35.94 82.52 Favored 'General case' 0 N--CA 1.464 0.258 0 N-CA-C 110.411 -0.218 . . . . 0.0 110.411 179.729 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 79.3 m-20 -66.78 -46.82 74.09 Favored 'General case' 0 C--N 1.341 0.215 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.947 -178.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 10.9 tp -64.56 -47.94 76.88 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.375 -178.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 78.1 tt0 -57.43 -46.55 83.44 Favored 'General case' 0 CA--C 1.547 0.85 0 CA-C-N 118.228 0.467 . . . . 0.0 110.17 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 25.6 mmtp -62.68 -40.97 98.76 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.305 179.756 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 59.7 mm-40 -69.02 -43.48 74.66 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 178.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -54.44 -43.7 71.84 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 122.073 0.149 . . . . 0.0 110.807 -179.289 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 45.2 tp10 . . . . . 0 N--CA 1.474 0.74 0 N-CA-C 109.492 -0.559 . . . . 0.0 109.492 179.639 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 54.7 m . . . . . 0 N--CA 1.47 0.565 0 N-CA-C 110.422 -0.214 . . . . 0.0 110.422 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 39.5 tp10 -61.44 -38.73 88.25 Favored 'General case' 0 N--CA 1.478 0.93 0 CA-C-O 120.811 0.339 . . . . 0.0 110.601 -179.683 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 52.7 m -56.64 -51.29 69.26 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-O 120.797 0.332 . . . . 0.0 110.537 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -68.16 -32.91 73.5 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.356 179.201 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 65.1 ttt-85 -58.79 -26.68 64.3 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 116.728 -0.215 . . . . 0.0 110.471 -179.175 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 95.8 mm-40 -43.77 -82.93 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.256 0 O-C-N 123.387 0.43 . . . . 0.0 110.739 178.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.442 ' C ' ' H ' ' A' ' 15' ' ' GLY . . . 62.15 18.37 57.57 Favored Glycine 0 N--CA 1.471 1.014 0 N-CA-C 110.701 -0.96 . . . . 0.0 110.701 179.362 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -53.96 -8.38 1.0 Allowed Glycine 0 CA--C 1.538 1.471 0 N-CA-C 111.815 -0.514 . . . . 0.0 111.815 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.442 ' H ' ' C ' ' A' ' 13' ' ' GLY . . . 106.48 -72.27 0.22 Allowed Glycine 0 N--CA 1.474 1.231 0 N-CA-C 110.484 -1.046 . . . . 0.0 110.484 178.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 56.6 mtpt -74.46 108.9 7.52 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 179.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.7 tp -151.14 135.26 16.72 Favored 'General case' 0 C--O 1.221 -0.433 0 N-CA-C 107.452 -1.314 . . . . 0.0 107.452 179.396 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.423 ' ND2' ' H ' ' A' ' 20' ' ' ASP . 9.6 t30 -135.51 145.82 47.47 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 44.3 p90 -31.83 -32.29 0.01 OUTLIER 'General case' 0 C--O 1.198 -1.613 0 C-N-CA 124.147 0.979 . . . . 0.0 112.281 -178.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.423 ' H ' ' ND2' ' A' ' 18' ' ' ASN . 30.3 t70 -72.53 -45.46 59.2 Favored 'General case' 0 N--CA 1.481 1.082 0 CA-C-O 121.329 0.585 . . . . 0.0 111.973 179.016 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.414 ' N ' ' O ' ' A' ' 18' ' ' ASN . 72.3 mm-40 -59.53 -47.12 86.77 Favored 'General case' 0 N--CA 1.486 1.366 0 CA-C-O 121.401 0.62 . . . . 0.0 111.902 -176.863 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.6 pp -76.15 -46.83 26.74 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 114.603 -1.18 . . . . 0.0 112.041 178.01 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.3 ttm-85 -60.33 -49.8 76.14 Favored 'General case' 0 N--CA 1.486 1.353 0 CA-C-O 120.939 0.4 . . . . 0.0 111.074 -175.491 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -58.45 -34.78 71.22 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.938 -0.574 . . . . 0.0 112.301 -178.676 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -70.93 -48.23 54.64 Favored 'General case' 0 N--CA 1.448 -0.551 0 C-N-CA 122.848 0.459 . . . . 0.0 110.345 176.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 54.1 mt -61.76 -31.7 71.9 Favored 'General case' 0 N--CA 1.502 2.173 0 CA-C-N 115.111 -0.949 . . . . 0.0 111.775 -176.702 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 34.8 ttpt -55.38 -45.2 76.58 Favored 'General case' 0 CA--C 1.552 1.055 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 178.471 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -61.63 -34.53 88.84 Favored Glycine 0 CA--C 1.536 1.375 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.721 179.407 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp -70.74 1.33 5.52 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 123.016 0.526 . . . . 0.0 111.406 -178.755 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 71.95 19.56 78.37 Favored Glycine 0 N--CA 1.467 0.753 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 177.325 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -67.29 162.76 22.03 Favored 'General case' 0 C--N 1.351 0.634 0 CA-C-N 117.373 0.586 . . . . 0.0 109.798 179.606 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 49.9 p -95.23 161.96 13.88 Favored 'General case' 0 CA--C 1.507 -0.695 0 CA-C-N 115.189 -0.914 . . . . 0.0 109.415 -176.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 72.3 m-20 -60.25 -42.24 94.9 Favored 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.45 -46.89 85.65 Favored 'General case' 0 C--N 1.352 0.714 0 O-C-N 123.648 0.593 . . . . 0.0 109.899 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -68.67 -47.6 66.09 Favored 'General case' 0 N--CA 1.473 0.7 0 O-C-N 121.633 -0.667 . . . . 0.0 110.136 -177.646 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 82.3 mt -57.98 -51.18 73.83 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 CA-C-N 115.248 -0.887 . . . . 0.0 110.705 -176.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -64.0 -42.07 97.29 Favored 'General case' 0 C--N 1.351 0.669 0 CA-C-O 121.136 0.494 . . . . 0.0 111.415 -177.559 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.23 -45.93 82.66 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 115.195 -0.911 . . . . 0.0 110.962 -178.484 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.3 mp -61.55 -47.26 94.21 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.423 0 CA-C-O 121.066 0.46 . . . . 0.0 111.008 -174.102 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -67.85 -42.1 81.91 Favored 'General case' 0 C--O 1.205 -1.251 0 CA-C-O 121.619 0.723 . . . . 0.0 110.447 -179.506 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 15.5 m -58.32 -45.25 88.4 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 114.827 -1.078 . . . . 0.0 111.077 -175.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -67.09 -49.11 66.11 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.061 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 16.7 m-85 -71.62 -31.06 66.48 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 120.506 -0.478 . . . . 0.0 111.02 -177.5 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.447 ' N ' ' OD1' ' A' ' 44' ' ' ASP . 0.3 OUTLIER -105.77 104.6 14.35 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 108.636 -0.875 . . . . 0.0 108.636 -179.149 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.462 ' N ' ' NE2' ' A' ' 45' ' ' GLN . 0.4 OUTLIER -62.77 -52.22 64.06 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 120.233 -0.587 . . . . 0.0 111.359 -177.087 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 64.1 m-20 -107.26 -2.92 20.27 Favored 'General case' 0 C--N 1.362 1.122 0 CA-C-N 119.041 0.837 . . . . 0.0 111.049 178.285 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 42.75 37.89 2.96 Favored Glycine 0 N--CA 1.492 2.389 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 -178.212 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -116.78 -19.75 9.78 Favored 'General case' 0 N--CA 1.491 1.589 0 C-N-CA 123.832 0.853 . . . . 0.0 112.157 -178.649 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.7 pm0 -131.07 175.99 8.63 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 123.354 0.662 . . . . 0.0 110.226 -177.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 71.7 mt-10 -76.17 147.9 38.13 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 114.677 -1.147 . . . . 0.0 109.5 179.589 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 16.8 mt -90.92 119.17 30.9 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.173 -177.329 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 6.9 t -79.78 -178.39 6.38 Favored 'General case' 0 CA--C 1.489 -1.367 0 CA-C-N 115.122 -0.945 . . . . 0.0 108.72 -177.076 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -68.8 -58.3 4.38 Favored 'General case' 0 C--N 1.305 -1.33 0 CA-C-N 113.407 -1.724 . . . . 0.0 110.661 -177.613 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 80.9 t60 -55.13 -50.13 70.04 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 119.724 -0.79 . . . . 0.0 110.065 -173.668 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 66.3 tt0 -57.94 -51.17 70.76 Favored 'General case' 0 C--O 1.218 -0.553 0 CA-C-N 118.044 0.383 . . . . 0.0 110.214 178.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.471 ' HE2' HH21 ' A' ' 60' ' ' ARG . 21.1 t60 -62.76 -52.16 64.3 Favored 'General case' 0 CA--C 1.546 0.827 0 N-CA-C 111.965 0.357 . . . . 0.0 111.965 -179.039 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -58.85 -36.7 75.01 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-N 117.687 0.221 . . . . 0.0 111.445 -179.17 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 48.0 tt0 -65.64 -54.37 28.55 Favored 'General case' 0 CA--C 1.541 0.612 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 -179.55 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 34.1 mmt -62.77 -35.1 78.72 Favored 'General case' 0 C--N 1.353 0.736 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.471 HH21 ' HE2' ' A' ' 56' ' ' HIS . 36.0 ttm180 -59.45 -48.98 79.56 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 119.422 -0.911 . . . . 0.0 110.012 -179.019 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -62.49 -36.43 82.49 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-O 120.715 0.293 . . . . 0.0 110.673 -179.652 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 60.7 m-20 -66.23 -44.83 82.64 Favored 'General case' 0 C--O 1.221 -0.415 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.036 -179.601 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 62.7 tp -60.56 -48.02 83.62 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.775 -179.24 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -57.03 -46.58 82.29 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 110.154 -0.313 . . . . 0.0 110.154 -178.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 57.3 mtpt -59.23 -42.02 90.03 Favored 'General case' 0 CA--C 1.551 0.993 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.411 178.481 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -69.88 -42.83 72.95 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 179.494 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 61.9 mtp85 -50.67 -38.92 49.33 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 122.061 0.144 . . . . 0.0 110.755 -179.455 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 . . . . . 0 N--CA 1.483 1.186 0 CA-C-O 120.797 0.332 . . . . 0.0 110.336 178.846 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 48.1 m . . . . . 0 N--CA 1.473 0.696 0 CA-C-O 120.422 0.153 . . . . 0.0 111.228 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -61.72 -43.41 98.91 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-O 120.506 0.193 . . . . 0.0 110.73 179.399 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 60.7 p -67.81 -45.68 74.05 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-O 121.06 0.457 . . . . 0.0 109.809 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 66.1 mt -61.88 -30.34 70.8 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.535 179.224 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 57.6 ttm-85 -58.46 -27.24 64.21 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.496 -179.198 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -53.66 -93.86 0.0 OUTLIER 'General case' 0 CA--C 1.544 0.737 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.004 179.405 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 60.55 18.71 52.3 Favored Glycine 0 C--N 1.345 1.083 0 N-CA-C 111.079 -0.808 . . . . 0.0 111.079 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -66.52 53.85 0.2 Allowed Glycine 0 C--N 1.344 0.977 0 N-CA-C 111.619 -0.592 . . . . 0.0 111.619 -178.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 68.6 -65.73 0.43 Allowed Glycine 0 C--N 1.337 0.62 0 N-CA-C 111.928 -0.469 . . . . 0.0 111.928 178.672 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 71.2 mmtt -88.65 106.6 18.43 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 109.716 -0.475 . . . . 0.0 109.716 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -140.07 125.54 19.06 Favored 'General case' 0 C--O 1.21 -0.976 0 O-C-N 124.159 0.912 . . . . 0.0 108.822 179.307 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.457 ' O ' ' N ' ' A' ' 21' ' ' GLU . 0.8 OUTLIER -136.46 141.69 43.55 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 108.053 -1.091 . . . . 0.0 108.053 -179.768 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 54.7 p90 -33.44 -30.1 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.306 1.042 . . . . 0.0 113.185 -178.69 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -66.95 -45.7 76.95 Favored 'General case' 0 C--O 1.21 -1.02 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 179.277 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 18' ' ' ASN . 69.2 mm-40 -59.35 -41.02 88.24 Favored 'General case' 0 N--CA 1.476 0.872 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.812 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 61.6 mt -74.88 -47.98 27.25 Favored 'General case' 0 N--CA 1.48 1.037 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.837 178.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 36.6 ttm180 -62.17 -54.29 43.11 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.737 -178.236 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 51.7 mm-40 -59.88 -36.47 76.98 Favored 'General case' 0 CA--C 1.501 -0.93 0 CA-C-N 115.562 -0.745 . . . . 0.0 111.811 -176.311 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 39.1 t70 -72.17 -49.43 35.78 Favored 'General case' 0 N--CA 1.444 -0.756 0 CA-C-O 121.285 0.564 . . . . 0.0 110.645 175.314 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 38.3 mt -62.73 -32.42 73.53 Favored 'General case' 0 N--CA 1.489 1.524 0 CA-C-N 114.609 -1.178 . . . . 0.0 111.842 -177.103 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.8 ttmm -54.89 -45.22 74.65 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 120.085 -0.646 . . . . 0.0 110.423 178.724 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -62.46 -29.89 74.74 Favored Glycine 0 N--CA 1.472 1.065 0 CA-C-N 115.752 -0.658 . . . . 0.0 112.296 -179.215 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -71.06 5.72 1.94 Allowed 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 122.579 0.352 . . . . 0.0 111.73 -178.448 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 70.59 12.19 69.79 Favored Glycine 0 N--CA 1.47 0.913 0 N-CA-C 111.248 -0.741 . . . . 0.0 111.248 176.662 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -66.75 161.93 22.52 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 -179.249 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 70.6 p -88.96 160.47 17.12 Favored 'General case' 0 CA--C 1.507 -0.675 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.068 -177.098 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 58.8 m-20 -58.02 -44.29 87.24 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.743 179.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.21 -47.32 85.78 Favored 'General case' 0 N--CA 1.471 0.606 0 O-C-N 123.691 0.619 . . . . 0.0 109.821 -179.417 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 70.1 mm-40 -69.26 -44.81 71.16 Favored 'General case' 0 N--CA 1.472 0.638 0 O-C-N 121.485 -0.759 . . . . 0.0 110.782 -177.7 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 87.1 mt -58.67 -50.46 79.07 Favored 'Isoleucine or valine' 0 C--O 1.242 0.689 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.745 -177.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -63.57 -40.5 97.15 Favored 'General case' 0 C--N 1.345 0.397 0 CA-C-O 121.254 0.549 . . . . 0.0 111.429 -176.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.75 -45.25 87.24 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 115.151 -0.931 . . . . 0.0 111.746 -177.615 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.4 mp -62.31 -46.34 96.65 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 C-N-CA 119.549 -0.86 . . . . 0.0 111.821 -174.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -67.59 -42.85 81.83 Favored 'General case' 0 C--O 1.206 -1.192 0 CA-C-O 121.798 0.809 . . . . 0.0 109.229 -179.076 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 16.4 m -58.26 -44.16 88.23 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 114.809 -1.087 . . . . 0.0 111.039 -176.153 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -66.21 -48.99 68.8 Favored 'General case' 0 N--CA 1.442 -0.847 0 C-N-CA 119.958 -0.697 . . . . 0.0 110.0 -178.414 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 17.6 m-85 -71.46 -31.28 66.98 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 120.201 -0.599 . . . . 0.0 110.136 -177.616 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.47 ' N ' ' OD1' ' A' ' 44' ' ' ASP . 0.4 OUTLIER -101.22 107.53 18.94 Favored 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 -179.344 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.49 ' N ' ' NE2' ' A' ' 45' ' ' GLN . 0.6 OUTLIER -63.41 -51.78 64.36 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-O 119.147 -0.454 . . . . 0.0 111.677 -176.199 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 36.0 t0 -107.39 -2.77 20.24 Favored 'General case' 0 N--CA 1.481 1.11 0 CA-C-N 118.696 0.68 . . . . 0.0 111.448 177.22 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 48.72 25.25 4.68 Favored Glycine 0 N--CA 1.484 1.87 0 C-N-CA 121.277 -0.487 . . . . 0.0 112.461 -178.062 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -117.75 -19.22 9.38 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 123.365 0.666 . . . . 0.0 111.854 -178.569 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -121.96 170.59 9.66 Favored 'General case' 0 N--CA 1.487 1.403 0 CA-C-O 121.373 0.606 . . . . 0.0 110.331 -177.756 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 -77.02 147.97 36.48 Favored 'General case' 0 C--O 1.234 0.284 0 C-N-CA 123.665 0.786 . . . . 0.0 110.312 179.744 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 18.5 mt -91.13 118.07 30.13 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 120.938 0.399 . . . . 0.0 110.962 -176.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.2 t -79.67 -178.27 6.28 Favored 'General case' 0 N--CA 1.44 -0.96 0 CA-C-N 115.114 -0.948 . . . . 0.0 108.846 -176.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 74.3 mt-10 -70.4 -57.03 5.26 Favored 'General case' 0 C--N 1.31 -1.148 0 CA-C-N 114.54 -1.209 . . . . 0.0 110.748 -177.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 56.4 t-80 -54.43 -50.9 66.54 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 119.957 -0.697 . . . . 0.0 110.231 -173.134 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 71.7 mm-40 -60.54 -51.24 70.25 Favored 'General case' 0 C--O 1.217 -0.638 0 CA-C-N 117.983 0.356 . . . . 0.0 110.361 179.003 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 32.6 t60 -60.09 -52.7 64.23 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 111.716 0.265 . . . . 0.0 111.716 -179.495 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -59.41 -37.0 76.9 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 117.766 0.257 . . . . 0.0 111.492 -179.002 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 50.8 tt0 -63.85 -54.38 35.81 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 -179.214 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 35.0 mmt -62.34 -35.65 79.77 Favored 'General case' 0 C--N 1.348 0.518 0 N-CA-C 109.619 -0.511 . . . . 0.0 109.619 179.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 59.2 ttp180 -59.61 -49.02 79.38 Favored 'General case' 0 C--N 1.347 0.489 0 C-N-CA 119.614 -0.835 . . . . 0.0 110.007 -178.37 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 75.8 m-20 -63.25 -36.43 83.62 Favored 'General case' 0 C--O 1.221 -0.445 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 -179.629 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -64.41 -44.03 92.52 Favored 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 -179.662 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 57.0 tp -61.28 -49.84 75.42 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.547 -179.36 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.4 tp10 -57.5 -45.74 84.57 Favored 'General case' 0 CA--C 1.545 0.768 0 CA-C-O 121.21 0.528 . . . . 0.0 109.911 -178.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 62.1 mmtt -57.12 -41.07 78.31 Favored 'General case' 0 N--CA 1.476 0.836 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.662 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 72.8 mt-10 -76.77 -34.31 58.02 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.034 178.584 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 63.6 ttt-85 -51.97 -39.35 59.2 Favored 'General case' 0 C--N 1.353 0.746 0 C-N-CA 122.53 0.332 . . . . 0.0 111.134 -179.181 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 . . . . . 0 N--CA 1.481 1.124 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.089 179.406 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 86.7 p . . . . . 0 N--CA 1.474 0.758 0 N-CA-C 111.622 0.23 . . . . 0.0 111.622 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 43.3 tp10 -61.82 -45.47 93.68 Favored 'General case' 0 N--CA 1.479 0.984 0 N-CA-C 110.086 -0.339 . . . . 0.0 110.086 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 42.5 t -65.4 -43.14 91.56 Favored 'General case' 0 N--CA 1.481 1.079 0 CA-C-O 120.972 0.415 . . . . 0.0 110.731 179.115 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.405 ' HA ' ' HE2' ' A' ' 56' ' ' HIS . 8.0 mp -64.93 -30.14 71.11 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.509 -179.665 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 34.4 ttm180 -58.21 -26.01 62.3 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 110.102 -0.333 . . . . 0.0 110.102 -178.379 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -50.2 -79.16 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.097 178.626 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 55.3 17.92 12.82 Favored Glycine 0 N--CA 1.473 1.163 0 N-CA-C 110.839 -0.905 . . . . 0.0 110.839 179.443 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -58.58 -6.08 3.17 Favored Glycine 0 CA--C 1.526 0.776 0 N-CA-C 111.614 -0.594 . . . . 0.0 111.614 -179.699 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 107.61 -69.65 0.21 Allowed Glycine 0 C--N 1.35 1.332 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 178.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 41.9 mtmt -82.08 113.85 20.23 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.5 tp -153.39 139.35 18.17 Favored 'General case' 0 C--O 1.216 -0.708 0 N-CA-C 108.111 -1.07 . . . . 0.0 108.111 179.345 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.415 ' ND2' ' N ' ' A' ' 18' ' ' ASN . 0.1 OUTLIER -148.53 154.99 40.55 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.047 0.842 . . . . 0.0 108.737 -178.901 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 41.3 p90 -31.22 -35.11 0.01 OUTLIER 'General case' 0 C--O 1.178 -2.686 0 O-C-N 124.831 1.332 . . . . 0.0 112.629 -177.536 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -72.46 -44.6 62.1 Favored 'General case' 0 C--O 1.204 -1.293 0 CA-C-N 117.703 0.229 . . . . 0.0 111.507 -178.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 73.4 mm-40 -63.55 -48.33 77.92 Favored 'General case' 0 N--CA 1.479 1.023 0 CA-C-O 121.81 0.815 . . . . 0.0 112.309 -176.375 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.0 pp -76.57 -47.16 23.41 Favored 'General case' 0 N--CA 1.483 1.218 0 CA-C-N 114.846 -1.07 . . . . 0.0 112.632 179.554 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.4 ttt180 -61.4 -50.98 70.68 Favored 'General case' 0 N--CA 1.489 1.476 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.653 -175.299 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -56.28 -36.45 68.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.41 -0.813 . . . . 0.0 112.032 -177.635 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -72.11 -49.49 35.79 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 123.767 0.827 . . . . 0.0 113.018 177.461 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 95.0 mt -61.04 -31.57 71.2 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 124.385 1.053 . . . . 0.0 111.198 -177.455 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.2 ttpp -55.84 -44.59 78.12 Favored 'General case' 0 CA--C 1.551 1.015 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 178.687 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -62.54 -31.76 80.88 Favored Glycine 0 CA--C 1.532 1.094 0 N-CA-C 111.741 -0.544 . . . . 0.0 111.741 -179.69 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 43.5 mmtm -71.95 2.29 5.85 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.405 0.682 . . . . 0.0 111.033 -178.561 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 71.57 19.48 77.85 Favored Glycine 0 N--CA 1.471 0.984 0 N-CA-C 111.597 -0.601 . . . . 0.0 111.597 178.213 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -68.39 162.07 26.18 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 117.487 0.643 . . . . 0.0 109.893 179.583 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 70.3 p -92.29 159.01 15.8 Favored 'General case' 0 CA--C 1.502 -0.894 0 CA-C-N 115.912 -0.585 . . . . 0.0 109.488 -176.369 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.524 ' O ' ' HG3' ' A' ' 37' ' ' GLU . 72.2 m-20 -60.88 -44.67 96.77 Favored 'General case' 0 C--O 1.211 -0.951 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 -179.85 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.95 -46.46 85.04 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 120.12 -0.632 . . . . 0.0 110.246 -179.048 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -65.9 -48.89 69.97 Favored 'General case' 0 N--CA 1.48 1.059 0 CA-C-O 121.095 0.474 . . . . 0.0 110.497 -177.422 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 77.2 mt -56.44 -49.7 75.94 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.756 0 CA-C-N 115.221 -0.899 . . . . 0.0 108.882 -177.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.524 ' HG3' ' O ' ' A' ' 33' ' ' ASP . 92.0 mt-10 -61.47 -44.85 96.37 Favored 'General case' 0 CA--C 1.502 -0.871 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.692 -178.622 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.27 -45.67 92.51 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.462 -178.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.5 mp -62.99 -46.94 95.02 Favored 'Isoleucine or valine' 0 N--CA 1.509 2.51 0 C-N-CA 119.623 -0.831 . . . . 0.0 111.96 -174.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -68.11 -46.11 71.82 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-O 121.604 0.716 . . . . 0.0 110.513 179.666 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 48.8 m -58.75 -45.12 90.43 Favored 'General case' 0 C--O 1.238 0.458 0 CA-C-N 114.855 -1.066 . . . . 0.0 111.402 -177.311 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 54.3 mtpt -69.32 -49.25 57.56 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.964 -179.62 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -71.11 -31.07 67.32 Favored 'General case' 0 N--CA 1.484 1.227 0 CA-C-O 119.602 -0.237 . . . . 0.0 110.44 -176.67 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.408 ' OD1' ' NE2' ' A' ' 49' ' ' GLN . 10.1 t0 -108.82 105.55 15.16 Favored 'General case' 0 N--CA 1.483 1.197 0 N-CA-C 107.783 -1.191 . . . . 0.0 107.783 179.548 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.492 ' N ' ' NE2' ' A' ' 45' ' ' GLN . 0.5 OUTLIER -59.12 -50.41 74.14 Favored 'General case' 0 C--O 1.24 0.579 0 N-CA-C 112.559 0.577 . . . . 0.0 112.559 -175.671 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 55.6 m-20 -105.06 -1.66 25.37 Favored 'General case' 0 N--CA 1.48 1.07 0 CA-C-N 118.831 0.741 . . . . 0.0 111.817 -179.555 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 54.67 21.39 21.73 Favored Glycine 0 N--CA 1.482 1.752 0 C-N-CA 121.245 -0.502 . . . . 0.0 112.272 179.719 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 62.9 m-20 -116.84 -16.14 10.62 Favored 'General case' 0 N--CA 1.495 1.807 0 C-N-CA 123.604 0.762 . . . . 0.0 112.773 -176.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.408 ' NE2' ' OD1' ' A' ' 44' ' ' ASP . 3.3 pm0 -122.64 173.56 7.64 Favored 'General case' 0 N--CA 1.488 1.43 0 CA-C-O 121.916 0.865 . . . . 0.0 110.961 -178.247 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 89.4 mt-10 -76.23 149.1 37.25 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 113.907 -1.497 . . . . 0.0 108.908 179.111 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.1 mp -89.16 120.19 30.33 Favored 'General case' 0 CA--C 1.54 0.596 0 CA-C-O 121.632 0.73 . . . . 0.0 109.374 -176.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 91.6 m -79.35 164.81 23.75 Favored 'General case' 0 CA--C 1.493 -1.238 0 CA-C-N 114.549 -1.205 . . . . 0.0 108.295 -176.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 74.9 mt-10 -65.79 -54.41 27.29 Favored 'General case' 0 C--N 1.305 -1.329 0 CA-C-N 113.479 -1.691 . . . . 0.0 110.492 -178.186 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 42.3 m80 -56.18 -50.76 70.29 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 120.205 -0.598 . . . . 0.0 110.41 -173.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -64.18 -49.39 72.23 Favored 'General case' 0 CA--C 1.537 0.464 0 N-CA-C 110.207 -0.294 . . . . 0.0 110.207 179.341 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.405 ' HE2' ' HA ' ' A' ' 10' ' ' LEU . 42.3 t-80 -59.1 -50.96 72.05 Favored 'General case' 0 CA--C 1.546 0.822 0 CA-C-N 116.554 -0.293 . . . . 0.0 111.115 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.618 HE21 ' N ' ' A' ' 57' ' ' GLN . 0.0 OUTLIER -61.88 -34.32 75.81 Favored 'General case' 0 CA--C 1.549 0.914 0 CA-C-N 118.107 0.412 . . . . 0.0 110.972 179.907 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 65.4 tp60 -63.69 -54.26 38.37 Favored 'General case' 0 N--CA 1.479 1.006 0 CA-C-O 121.196 0.522 . . . . 0.0 110.353 -178.441 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 35.1 mmt -61.34 -34.63 75.6 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-O 121.0 0.428 . . . . 0.0 109.99 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 69.1 ttp85 -58.85 -47.79 83.61 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 115.877 -0.602 . . . . 0.0 109.661 -178.722 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 75.0 m-20 -61.31 -38.4 86.72 Favored 'General case' 0 CA--C 1.538 0.508 0 N-CA-C 109.797 -0.445 . . . . 0.0 109.797 179.466 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 64.5 m-20 -66.58 -40.09 88.76 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.444 179.148 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 44.6 tp -61.01 -49.24 78.23 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 116.803 -0.181 . . . . 0.0 110.738 -179.158 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 70.6 mm-40 -56.94 -43.55 81.64 Favored 'General case' 0 CA--C 1.551 0.986 0 N-CA-C 109.789 -0.449 . . . . 0.0 109.789 -179.328 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -62.77 -44.1 97.07 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 122.737 0.415 . . . . 0.0 111.223 178.114 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 65.7 mm-40 -66.41 -45.51 79.72 Favored 'General case' 0 N--CA 1.482 1.168 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 179.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 77.3 mtp180 -54.46 -42.54 70.75 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 122.233 0.213 . . . . 0.0 110.577 179.28 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 74.9 tt0 . . . . . 0 N--CA 1.478 0.937 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 179.578 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 84.4 p . . . . . 0 N--CA 1.472 0.633 0 N-CA-C 111.52 0.192 . . . . 0.0 111.52 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 77.3 tt0 -64.5 -45.94 85.1 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-O 120.641 0.258 . . . . 0.0 110.684 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 78.7 p -70.71 -45.97 63.97 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 110.117 -0.327 . . . . 0.0 110.117 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 19.7 mt -58.98 -29.66 67.37 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.151 -179.419 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.596 HH22 HH22 ' A' ' 60' ' ' ARG . 57.5 ttt85 -58.29 -41.11 83.69 Favored 'General case' 0 N--CA 1.47 0.531 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 -179.687 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 53.14 -124.32 2.28 Favored 'General case' 0 CA--C 1.559 1.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.055 179.626 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 75.88 15.74 81.13 Favored Glycine 0 C--N 1.345 1.082 0 N-CA-C 111.07 -0.812 . . . . 0.0 111.07 179.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -80.92 4.81 68.4 Favored Glycine 0 N--CA 1.471 1.018 0 N-CA-C 110.817 -0.913 . . . . 0.0 110.817 179.37 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 68.05 -73.4 0.28 Allowed Glycine 0 CA--C 1.53 1.018 0 N-CA-C 110.916 -0.874 . . . . 0.0 110.916 -179.515 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -84.91 113.33 21.32 Favored 'General case' 0 N--CA 1.485 1.278 0 N-CA-C 107.891 -1.152 . . . . 0.0 107.891 179.407 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 11.2 mt -151.88 139.2 19.39 Favored 'General case' 0 C--O 1.216 -0.679 0 O-C-N 123.892 0.745 . . . . 0.0 109.732 -179.453 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.404 ' O ' ' N ' ' A' ' 21' ' ' GLU . 2.3 p-10 -141.48 145.47 35.25 Favored 'General case' 0 C--N 1.316 -0.85 0 N-CA-C 107.041 -1.466 . . . . 0.0 107.041 178.769 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 32.1 p90 -32.6 -32.29 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 124.865 1.266 . . . . 0.0 113.888 -177.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -70.64 -45.77 64.56 Favored 'General case' 0 C--O 1.213 -0.853 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 -177.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.404 ' N ' ' O ' ' A' ' 18' ' ' ASN . 70.1 mm-40 -59.47 -39.91 85.2 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 115.196 -0.911 . . . . 0.0 110.12 179.756 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 66.5 mt -74.77 -47.99 27.98 Favored 'General case' 0 N--CA 1.48 1.035 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.591 178.411 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 33.2 ttm180 -62.28 -53.85 49.13 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.69 -0.687 . . . . 0.0 110.454 -178.244 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 50.2 mm-40 -60.22 -37.57 80.73 Favored 'General case' 0 CA--C 1.504 -0.803 0 CA-C-N 115.262 -0.881 . . . . 0.0 112.282 -176.691 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -72.3 -49.17 36.58 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-O 121.357 0.599 . . . . 0.0 110.208 175.679 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 45.0 mt -63.19 -32.22 73.56 Favored 'General case' 0 N--CA 1.492 1.643 0 CA-C-N 114.42 -1.263 . . . . 0.0 112.061 -176.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 32.8 ttmt -55.16 -45.67 75.73 Favored 'General case' 0 CA--C 1.558 1.252 0 C-N-CA 120.235 -0.586 . . . . 0.0 110.734 178.566 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.414 ' C ' ' H ' ' A' ' 30' ' ' GLY . . . -62.21 -29.41 72.89 Favored Glycine 0 CA--C 1.532 1.15 0 CA-C-N 115.861 -0.609 . . . . 0.0 112.872 -179.847 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -70.9 7.32 1.19 Allowed 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 122.644 0.378 . . . . 0.0 111.772 -178.34 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.414 ' H ' ' C ' ' A' ' 28' ' ' GLY . . . 70.68 11.48 69.05 Favored Glycine 0 N--CA 1.47 0.907 0 N-CA-C 111.287 -0.725 . . . . 0.0 111.287 176.78 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -66.85 161.62 23.48 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 -179.76 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 68.4 p -89.94 159.72 16.78 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 115.663 -0.698 . . . . 0.0 109.933 -176.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 17.3 p-10 -57.8 -44.26 86.2 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 116.567 -0.288 . . . . 0.0 110.684 179.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.32 -46.69 87.89 Favored 'General case' 0 N--CA 1.475 0.776 0 O-C-N 123.559 0.537 . . . . 0.0 110.24 -179.638 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 -70.06 -46.82 64.16 Favored 'General case' 0 N--CA 1.47 0.565 0 O-C-N 121.59 -0.694 . . . . 0.0 110.421 -178.111 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 83.3 mt -56.56 -50.05 75.04 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.669 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.646 -177.023 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -62.73 -41.1 99.02 Favored 'General case' 0 C--N 1.346 0.425 0 CA-C-O 120.912 0.386 . . . . 0.0 111.411 -177.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.49 -45.37 83.87 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 115.403 -0.817 . . . . 0.0 112.115 -178.496 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.5 mp -62.59 -46.68 95.79 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.882 0 C-N-CA 120.317 -0.553 . . . . 0.0 111.564 -175.118 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -67.44 -42.0 83.86 Favored 'General case' 0 C--O 1.214 -0.804 0 CA-C-O 121.784 0.802 . . . . 0.0 109.765 -179.199 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 11.4 m -58.59 -44.28 89.77 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-N 114.743 -1.117 . . . . 0.0 110.992 -176.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 62.0 tttp -65.89 -48.52 71.22 Favored 'General case' 0 N--CA 1.442 -0.873 0 C-N-CA 120.302 -0.559 . . . . 0.0 109.776 -179.268 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -71.74 -31.11 66.33 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 120.277 -0.569 . . . . 0.0 110.666 -177.405 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -105.66 106.99 17.75 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 -179.718 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.469 ' N ' ' NE2' ' A' ' 45' ' ' GLN . 0.7 OUTLIER -63.57 -51.64 64.5 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-O 119.116 -0.468 . . . . 0.0 111.803 -176.736 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 64.9 m-20 -106.91 -2.52 21.2 Favored 'General case' 0 N--CA 1.484 1.246 0 CA-C-N 118.844 0.747 . . . . 0.0 111.379 178.023 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 48.89 24.45 4.33 Favored Glycine 0 N--CA 1.484 1.84 0 N-CA-C 112.137 -0.385 . . . . 0.0 112.137 -178.134 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -118.25 -20.46 8.56 Favored 'General case' 0 N--CA 1.489 1.517 0 C-N-CA 123.485 0.714 . . . . 0.0 112.378 -178.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -120.16 168.97 10.67 Favored 'General case' 0 N--CA 1.488 1.439 0 C-N-CA 123.314 0.646 . . . . 0.0 110.481 -177.293 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -76.63 147.82 37.32 Favored 'General case' 0 C--O 1.233 0.236 0 C-N-CA 124.117 0.967 . . . . 0.0 109.779 179.253 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 19.6 mt -91.12 118.36 30.36 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 121.352 0.596 . . . . 0.0 110.046 -176.617 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.7 t -80.36 -178.05 6.45 Favored 'General case' 0 CA--C 1.496 -1.122 0 CA-C-N 114.917 -1.038 . . . . 0.0 108.834 -177.389 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 88.5 mt-10 -69.22 -56.1 8.61 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 114.19 -1.368 . . . . 0.0 110.302 -178.131 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -54.01 -50.29 66.96 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 120.079 -0.648 . . . . 0.0 110.099 -174.018 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -59.02 -52.71 64.6 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 177.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 21.5 t-80 -58.47 -53.83 53.91 Favored 'General case' 0 CA--C 1.55 0.967 0 N-CA-C 111.905 0.335 . . . . 0.0 111.905 179.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.408 ' N ' ' NE2' ' A' ' 57' ' ' GLN . 0.8 OUTLIER -58.73 -34.52 71.44 Favored 'General case' 0 N--CA 1.473 0.709 0 O-C-N 122.457 -0.152 . . . . 0.0 111.12 -178.702 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -66.87 -54.5 21.69 Favored 'General case' 0 CA--C 1.544 0.728 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 33.5 mmt -61.82 -36.05 80.0 Favored 'General case' 0 C--N 1.352 0.712 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 -179.477 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.596 HH22 HH22 ' A' ' 11' ' ' ARG . 76.6 ttt180 -59.69 -49.35 78.07 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 119.452 -0.899 . . . . 0.0 109.641 -179.531 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -60.07 -36.87 78.3 Favored 'General case' 0 N--CA 1.477 0.88 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 -179.079 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -66.09 -36.79 84.14 Favored 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 178.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.4 tp -62.57 -49.95 73.25 Favored 'General case' 0 C--N 1.343 0.319 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.276 -179.589 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 72.0 mt-10 -57.39 -43.43 83.66 Favored 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 109.735 -0.468 . . . . 0.0 109.735 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 57.2 mttp -57.84 -39.04 76.75 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 122.329 0.252 . . . . 0.0 111.118 179.417 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -48.95 -32.52 9.23 Favored 'General case' 0 N--CA 1.486 1.332 0 CA-C-O 121.746 0.784 . . . . 0.0 110.354 -179.114 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -56.59 -47.3 79.86 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 114.127 -1.397 . . . . 0.0 110.034 -178.22 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 78.7 tt0 . . . . . 0 N--CA 1.47 0.574 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 179.72 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 41.3 t . . . . . 0 N--CA 1.473 0.696 0 CA-C-O 120.566 0.222 . . . . 0.0 111.382 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 74.4 mt-10 -68.11 -38.26 82.08 Favored 'General case' 0 CA--C 1.547 0.829 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.339 178.782 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 87.3 p -63.36 -51.35 66.27 Favored 'General case' 0 N--CA 1.483 1.195 0 CA-C-O 120.522 0.201 . . . . 0.0 111.419 -179.263 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 10.1 mp -62.26 -41.47 98.48 Favored 'General case' 0 N--CA 1.483 1.191 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 179.696 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.458 ' O ' ' N ' ' A' ' 13' ' ' GLY . 40.2 ttm180 -59.84 -52.49 65.21 Favored 'General case' 0 N--CA 1.477 0.876 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 179.829 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 60.8 tp60 54.51 -81.6 0.01 OUTLIER 'General case' 0 CA--C 1.554 1.126 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.967 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 11' ' ' ARG . . . 67.23 16.52 67.01 Favored Glycine 0 N--CA 1.474 1.195 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 178.833 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -85.47 -8.37 80.89 Favored Glycine 0 N--CA 1.473 1.14 0 N-CA-C 111.08 -0.808 . . . . 0.0 111.08 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 82.03 -67.53 3.66 Favored Glycine 0 N--CA 1.479 1.51 0 N-CA-C 111.161 -0.776 . . . . 0.0 111.161 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 57.3 mtpt -72.63 108.42 5.64 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 179.049 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 23.7 tp -148.93 130.69 15.07 Favored 'General case' 0 CA--C 1.532 0.257 0 N-CA-C 108.223 -1.028 . . . . 0.0 108.223 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.464 ' ND2' ' CE1' ' A' ' 19' ' ' PHE . 6.5 p-10 -152.56 163.12 40.22 Favored 'General case' 0 N--CA 1.465 0.317 0 N-CA-C 107.742 -1.207 . . . . 0.0 107.742 179.288 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.464 ' CE1' ' ND2' ' A' ' 18' ' ' ASN . 28.6 p90 -32.14 -44.42 0.09 Allowed 'General case' 0 C--O 1.191 -2.019 0 O-C-N 124.544 1.153 . . . . 0.0 112.658 -178.634 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -72.68 -45.25 59.79 Favored 'General case' 0 N--CA 1.479 1.014 0 CA-C-N 118.302 0.501 . . . . 0.0 111.659 -178.537 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -63.15 -47.06 84.29 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-N 116.025 -0.534 . . . . 0.0 112.166 -176.096 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.7 pp -76.67 -46.84 24.11 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 112.834 0.679 . . . . 0.0 112.834 179.514 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.2 ttt180 -62.75 -53.03 60.63 Favored 'General case' 0 N--CA 1.487 1.403 0 CA-C-O 120.929 0.395 . . . . 0.0 111.746 -174.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 -58.16 -34.33 70.18 Favored 'General case' 0 CA--C 1.512 -0.496 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.955 -178.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -71.25 -47.89 54.36 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.341 0.591 . . . . 0.0 110.366 177.132 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 24.4 mt -62.12 -31.39 71.85 Favored 'General case' 0 N--CA 1.496 1.831 0 CA-C-N 114.38 -1.282 . . . . 0.0 111.821 -176.443 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 32.6 ttmt -55.45 -44.3 76.23 Favored 'General case' 0 CA--C 1.553 1.068 0 CA-C-O 121.355 0.597 . . . . 0.0 109.557 178.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -61.98 -35.62 91.67 Favored Glycine 0 CA--C 1.538 1.469 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.884 179.014 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -70.37 -0.28 7.89 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 123.02 0.528 . . . . 0.0 111.022 -178.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 71.68 19.53 78.01 Favored Glycine 0 N--CA 1.474 1.176 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.74 178.134 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -66.64 162.75 20.4 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-N 117.553 0.677 . . . . 0.0 109.771 178.827 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 54.1 p -96.18 160.31 14.5 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-N 115.593 -0.73 . . . . 0.0 109.505 -177.01 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -59.97 -40.57 89.55 Favored 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 110.383 -0.229 . . . . 0.0 110.383 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.09 -47.22 86.05 Favored 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 72.5 mt-10 -68.36 -46.03 71.19 Favored 'General case' 0 N--CA 1.472 0.668 0 O-C-N 121.72 -0.613 . . . . 0.0 110.542 -177.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 85.5 mt -59.76 -50.59 79.48 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.799 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.682 -177.234 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -63.04 -42.55 99.76 Favored 'General case' 0 C--N 1.351 0.65 0 CA-C-O 121.93 0.871 . . . . 0.0 111.741 -177.349 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.1 -44.98 82.8 Favored 'General case' 0 CA--C 1.552 1.027 0 CA-C-N 115.289 -0.869 . . . . 0.0 111.307 -179.448 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.2 mp -61.52 -46.88 95.65 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.551 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.521 -173.46 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -67.92 -41.58 82.4 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-O 121.655 0.74 . . . . 0.0 111.264 -179.541 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 15.4 m -59.35 -45.81 90.37 Favored 'General case' 0 C--O 1.238 0.486 0 CA-C-N 114.231 -1.35 . . . . 0.0 111.279 -175.384 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 60.3 mttp -68.66 -49.66 57.31 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.053 -179.13 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 -74.84 -32.47 61.94 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 120.075 -0.65 . . . . 0.0 111.796 -177.21 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -103.06 109.66 21.3 Favored 'General case' 0 N--CA 1.484 1.251 0 N-CA-C 107.099 -1.445 . . . . 0.0 107.099 177.61 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.446 ' N ' ' NE2' ' A' ' 45' ' ' GLN . 0.5 OUTLIER -62.54 -51.04 68.98 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-O 119.121 -0.466 . . . . 0.0 111.504 -175.937 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 27.0 t0 -106.43 -2.05 22.52 Favored 'General case' 0 N--CA 1.484 1.237 0 CA-C-N 118.564 0.62 . . . . 0.0 111.193 178.4 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 53.25 22.34 14.33 Favored Glycine 0 N--CA 1.477 1.368 0 C-N-CA 121.296 -0.478 . . . . 0.0 112.58 -179.148 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -118.06 -8.95 10.63 Favored 'General case' 0 N--CA 1.492 1.644 0 C-N-CA 123.705 0.802 . . . . 0.0 111.508 -178.689 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -124.76 163.14 22.76 Favored 'General case' 0 N--CA 1.483 1.192 0 CA-C-O 121.553 0.692 . . . . 0.0 110.242 -177.028 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -75.73 147.78 39.07 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 114.486 -1.234 . . . . 0.0 108.44 179.601 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.4 tp -90.77 119.8 31.28 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-O 121.732 0.777 . . . . 0.0 109.701 -177.507 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.2 t -80.71 -179.64 7.35 Favored 'General case' 0 CA--C 1.494 -1.191 0 CA-C-N 114.349 -1.296 . . . . 0.0 109.805 -177.409 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -70.01 -52.78 21.42 Favored 'General case' 0 N--CA 1.435 -1.216 0 CA-C-N 113.43 -1.713 . . . . 0.0 110.724 -177.429 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 93.0 m-70 -54.15 -50.62 66.54 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 120.398 -0.521 . . . . 0.0 110.452 -174.142 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 77.3 mt-10 -61.96 -40.44 95.58 Favored 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 177.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.414 ' CE1' ' O ' ' A' ' 11' ' ' ARG . 17.5 t60 -63.73 -48.78 75.69 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.297 179.578 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 10.2 mm-40 -53.17 -42.58 66.33 Favored 'General case' 0 N--CA 1.489 1.491 0 CA-C-N 118.004 0.365 . . . . 0.0 111.782 -178.667 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -62.97 -49.67 73.78 Favored 'General case' 0 N--CA 1.48 1.031 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 178.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.4 ' SD ' ' N ' ' A' ' 60' ' ' ARG . 0.7 OUTLIER -59.28 -42.94 92.43 Favored 'General case' 0 C--N 1.347 0.479 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 179.144 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.4 ' N ' ' SD ' ' A' ' 59' ' ' MET . 67.8 ttp85 -59.49 -48.4 81.81 Favored 'General case' 0 C--N 1.353 0.719 0 C-N-CA 120.44 -0.504 . . . . 0.0 110.01 -177.831 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 74.8 m-20 -61.05 -36.57 79.93 Favored 'General case' 0 CA--C 1.536 0.436 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 179.167 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 58.2 m-20 -68.97 -37.88 79.03 Favored 'General case' 0 C--N 1.345 0.401 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 179.759 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 50.5 tp -61.05 -50.39 73.51 Favored 'General case' 0 C--N 1.35 0.6 0 C-N-CA 121.05 -0.26 . . . . 0.0 110.366 -179.283 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 76.2 tt0 -57.31 -44.22 83.95 Favored 'General case' 0 CA--C 1.552 1.02 0 CA-C-O 120.947 0.404 . . . . 0.0 110.193 -179.616 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 28.4 mmtp -62.21 -45.41 93.49 Favored 'General case' 0 CA--C 1.551 0.981 0 CA-C-N 115.965 -0.562 . . . . 0.0 111.307 179.32 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 92.3 mt-10 -64.92 -43.41 92.9 Favored 'General case' 0 N--CA 1.479 0.984 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 178.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 57.1 mtp85 -53.78 -44.6 70.21 Favored 'General case' 0 N--CA 1.481 1.117 0 N-CA-C 110.657 -0.127 . . . . 0.0 110.657 179.413 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 78.0 tt0 . . . . . 0 N--CA 1.479 0.975 0 N-CA-C 109.859 -0.422 . . . . 0.0 109.859 179.4 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 53.3 m . . . . . 0 CA--C 1.541 0.631 0 CA-C-O 120.42 0.152 . . . . 0.0 111.104 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 74.4 mt-10 -73.96 -42.46 60.48 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 122.233 0.213 . . . . 0.0 110.713 178.353 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 95.7 p -61.3 -47.97 83.52 Favored 'General case' 0 N--CA 1.482 1.147 0 CA-C-O 120.67 0.272 . . . . 0.0 110.809 -179.234 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 59.8 mt -61.75 -43.89 97.96 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.31 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.475 ' O ' ' N ' ' A' ' 13' ' ' GLY . 78.5 mtp180 -66.39 -53.69 32.96 Favored 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 110.202 -0.296 . . . . 0.0 110.202 179.62 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 67.4 tp60 56.79 -74.56 0.02 OUTLIER 'General case' 0 CA--C 1.546 0.823 0 O-C-N 124.087 0.867 . . . . 0.0 110.73 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 11' ' ' ARG . . . 79.3 16.62 77.94 Favored Glycine 0 C--N 1.341 0.861 0 N-CA-C 110.701 -0.96 . . . . 0.0 110.701 179.505 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -77.32 -19.3 76.9 Favored Glycine 0 N--CA 1.471 1.001 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 179.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 96.23 -30.49 8.57 Favored Glycine 0 N--CA 1.483 1.817 0 N-CA-C 111.289 -0.725 . . . . 0.0 111.289 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 45.5 mtmt -120.08 127.77 52.86 Favored 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 123.314 0.646 . . . . 0.0 109.589 179.324 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.5 mt -138.49 110.83 7.42 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 -178.183 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -129.66 139.14 51.46 Favored 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 107.634 -1.247 . . . . 0.0 107.634 179.374 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 40.3 p90 -31.17 -33.88 0.01 OUTLIER 'General case' 0 C--O 1.197 -1.68 0 O-C-N 124.651 1.22 . . . . 0.0 113.018 -178.381 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -74.11 -45.87 46.32 Favored 'General case' 0 N--CA 1.478 0.926 0 CA-C-O 121.349 0.595 . . . . 0.0 112.509 -178.622 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.71 -45.9 92.44 Favored 'General case' 0 N--CA 1.484 1.228 0 CA-C-O 121.871 0.844 . . . . 0.0 111.523 -175.031 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.7 pp -75.92 -47.23 26.09 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 113.681 -1.599 . . . . 0.0 111.75 -179.711 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.1 ttt180 -59.39 -51.01 71.74 Favored 'General case' 0 N--CA 1.477 0.904 0 CA-C-O 120.959 0.409 . . . . 0.0 110.97 -177.618 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -58.37 -34.68 70.96 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.878 -179.713 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -70.96 -47.93 56.21 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-O 120.951 0.405 . . . . 0.0 110.367 177.188 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 41.4 mt -61.93 -31.45 71.77 Favored 'General case' 0 N--CA 1.501 2.121 0 CA-C-N 114.602 -1.181 . . . . 0.0 112.028 -176.622 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 34.4 ttpt -55.87 -44.89 78.51 Favored 'General case' 0 CA--C 1.554 1.123 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 178.561 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -61.81 -34.36 88.46 Favored Glycine 0 CA--C 1.535 1.331 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.914 179.239 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -70.6 2.31 4.2 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 122.918 0.487 . . . . 0.0 111.3 -179.114 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 71.46 19.86 77.96 Favored Glycine 0 N--CA 1.475 1.26 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 177.658 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -67.58 162.99 22.23 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 117.637 0.719 . . . . 0.0 110.216 179.202 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 72.3 p -94.04 159.5 15.13 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 115.282 -0.872 . . . . 0.0 109.639 -177.156 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 -60.57 -41.57 94.89 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.275 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.58 -46.87 87.67 Favored 'General case' 0 N--CA 1.476 0.862 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 -179.643 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 -68.26 -48.02 66.15 Favored 'General case' 0 N--CA 1.474 0.744 0 O-C-N 121.55 -0.719 . . . . 0.0 110.448 -178.166 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 82.7 mt -56.85 -50.44 75.22 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.867 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.737 -177.154 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -62.77 -42.07 99.52 Favored 'General case' 0 C--N 1.352 0.677 0 CA-C-O 121.55 0.691 . . . . 0.0 111.044 -177.547 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.4 -45.74 89.63 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 115.432 -0.804 . . . . 0.0 111.786 -178.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.4 mp -61.69 -46.83 95.7 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.881 0 N-CA-C 112.016 0.376 . . . . 0.0 112.016 -175.195 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -67.66 -41.05 84.37 Favored 'General case' 0 C--O 1.21 -1.003 0 CA-C-O 121.881 0.848 . . . . 0.0 109.773 -179.685 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 32.2 m -59.46 -46.45 88.74 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 114.93 -1.032 . . . . 0.0 111.287 -177.139 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -70.0 -48.38 58.38 Favored 'General case' 0 N--CA 1.44 -0.974 0 C-N-CA 120.526 -0.469 . . . . 0.0 109.979 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 13.0 m-85 -70.77 -30.17 66.59 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 120.527 -0.469 . . . . 0.0 110.915 -176.105 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -114.98 108.33 16.56 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 108.134 -1.062 . . . . 0.0 108.134 179.539 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 18.4 mm-40 -60.62 -50.85 71.85 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-O 118.932 -0.556 . . . . 0.0 111.943 -177.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 38.3 t0 -106.31 -2.15 22.61 Favored 'General case' 0 C--N 1.365 1.267 0 CA-C-N 118.835 0.743 . . . . 0.0 111.09 178.672 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 51.52 22.01 7.35 Favored Glycine 0 N--CA 1.48 1.592 0 CA-C-O 119.753 -0.471 . . . . 0.0 112.49 -179.177 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 48.3 m-20 -117.59 -13.44 10.26 Favored 'General case' 0 N--CA 1.491 1.62 0 C-N-CA 123.506 0.723 . . . . 0.0 111.763 -178.427 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.1 pp0? -123.82 158.63 31.36 Favored 'General case' 0 N--CA 1.493 1.705 0 C-N-CA 123.291 0.636 . . . . 0.0 110.956 -178.002 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -76.19 148.36 37.78 Favored 'General case' 0 C--N 1.349 0.564 0 C-N-CA 124.483 1.113 . . . . 0.0 109.567 179.056 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 19.4 mt -91.07 117.69 29.8 Favored 'General case' 0 N--CA 1.481 1.12 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.725 -177.076 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 4.7 t -80.22 -177.85 6.3 Favored 'General case' 0 CA--C 1.489 -1.377 0 N-CA-C 108.466 -0.939 . . . . 0.0 108.466 -177.103 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 72.4 mt-10 -61.52 -60.31 3.89 Favored 'General case' 0 C--N 1.311 -1.088 0 CA-C-N 114.804 -1.089 . . . . 0.0 110.894 -178.209 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 81.8 t60 -54.59 -50.81 67.12 Favored 'General case' 0 N--CA 1.485 1.303 0 C-N-CA 120.15 -0.62 . . . . 0.0 109.937 -174.684 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -59.95 -50.42 73.83 Favored 'General case' 0 C--O 1.215 -0.713 0 CA-C-N 118.327 0.512 . . . . 0.0 109.896 178.585 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 54.2 t-80 -59.59 -52.14 66.81 Favored 'General case' 0 CA--C 1.549 0.909 0 N-CA-C 112.044 0.387 . . . . 0.0 112.044 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -62.82 -34.27 76.96 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 118.007 0.367 . . . . 0.0 111.161 -179.277 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 56.5 mm-40 -63.38 -54.58 34.63 Favored 'General case' 0 N--CA 1.482 1.154 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 179.682 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 34.0 mmt -61.86 -36.95 82.76 Favored 'General case' 0 C--N 1.353 0.748 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 57.1 ttp180 -60.43 -49.42 77.63 Favored 'General case' 0 CA--C 1.552 1.043 0 C-N-CA 118.972 -1.091 . . . . 0.0 110.17 -179.316 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -60.74 -40.59 92.97 Favored 'General case' 0 N--CA 1.475 0.825 0 CA-C-O 121.289 0.566 . . . . 0.0 110.422 -179.122 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 65.2 m-20 -61.03 -40.06 92.16 Favored 'General case' 0 C--O 1.218 -0.579 0 CA-C-N 115.058 -0.974 . . . . 0.0 108.711 178.36 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.61 -49.29 77.19 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.916 -178.728 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 78.9 tt0 -57.0 -45.42 83.01 Favored 'General case' 0 CA--C 1.551 0.997 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -57.65 -45.16 85.84 Favored 'General case' 0 N--CA 1.48 1.043 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.793 179.302 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -71.66 -35.0 70.2 Favored 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 178.554 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 33.7 ttm180 -53.17 -43.17 66.87 Favored 'General case' 0 C--N 1.357 0.932 0 C-N-CA 122.614 0.365 . . . . 0.0 111.04 -178.794 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 . . . . . 0 N--CA 1.481 1.1 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 179.743 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 58.8 m . . . . . 0 N--CA 1.471 0.613 0 CA-C-O 120.419 0.152 . . . . 0.0 110.669 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 78.2 tt0 -68.36 -40.97 81.32 Favored 'General case' 0 N--CA 1.471 0.602 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 179.372 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 62.5 m -61.67 -43.01 99.66 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.999 -179.583 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 9.0 mp -62.84 -43.54 98.52 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 116.167 -0.47 . . . . 0.0 109.992 -179.163 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.498 ' O ' ' N ' ' A' ' 13' ' ' GLY . 37.7 ttm180 -71.32 -54.77 9.68 Favored 'General case' 0 C--N 1.349 0.565 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 -178.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 54.59 -76.95 0.01 OUTLIER 'General case' 0 CA--C 1.551 0.986 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.873 -179.496 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.498 ' N ' ' O ' ' A' ' 11' ' ' ARG . . . 78.5 16.61 79.12 Favored Glycine 0 C--N 1.342 0.865 0 N-CA-C 110.644 -0.982 . . . . 0.0 110.644 179.657 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -79.27 -7.7 88.29 Favored Glycine 0 N--CA 1.469 0.866 0 N-CA-C 111.125 -0.79 . . . . 0.0 111.125 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 82.03 -70.42 3.14 Favored Glycine 0 N--CA 1.475 1.282 0 N-CA-C 110.694 -0.962 . . . . 0.0 110.694 -179.666 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 41.6 mtmt -73.58 110.94 8.26 Favored 'General case' 0 N--CA 1.465 0.281 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 179.528 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.8 tp -147.39 129.4 15.43 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 -178.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.426 ' O ' ' N ' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -139.13 151.07 46.36 Favored 'General case' 0 N--CA 1.476 0.855 0 N-CA-C 107.882 -1.155 . . . . 0.0 107.882 -179.834 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 38.4 p90 -31.09 -35.18 0.01 OUTLIER 'General case' 0 N--CA 1.479 1.005 0 O-C-N 124.452 1.095 . . . . 0.0 112.07 -179.089 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -73.98 -45.51 49.59 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 112.41 0.522 . . . . 0.0 112.41 179.331 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.426 ' N ' ' O ' ' A' ' 18' ' ' ASN . 38.4 mt-10 -60.43 -45.05 95.05 Favored 'General case' 0 N--CA 1.481 1.12 0 CA-C-O 121.241 0.543 . . . . 0.0 112.35 -176.358 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.6 pp -75.31 -47.14 29.17 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.324 -0.853 . . . . 0.0 111.165 178.617 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 51.6 ttp180 -59.22 -51.72 68.79 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-O 120.992 0.425 . . . . 0.0 112.001 -176.729 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 54.1 mm-40 -56.71 -35.82 68.95 Favored 'General case' 0 C--N 1.313 -0.989 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.311 -177.236 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -71.69 -48.34 48.06 Favored 'General case' 0 N--CA 1.445 -0.7 0 CA-C-O 121.485 0.66 . . . . 0.0 110.408 175.208 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 23.3 mt -64.15 -33.17 75.18 Favored 'General case' 0 N--CA 1.492 1.639 0 CA-C-N 114.748 -1.114 . . . . 0.0 111.67 -176.269 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.4 ttmm -54.66 -45.93 73.94 Favored 'General case' 0 CA--C 1.551 0.997 0 CA-C-O 121.63 0.729 . . . . 0.0 109.549 178.468 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -61.11 -35.78 91.34 Favored Glycine 0 CA--C 1.535 1.303 0 CA-C-N 115.109 -0.95 . . . . 0.0 111.489 178.705 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -70.0 -1.17 8.97 Favored 'General case' 0 N--CA 1.482 1.174 0 CA-C-O 121.041 0.448 . . . . 0.0 111.071 -179.37 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 72.17 19.58 78.65 Favored Glycine 0 N--CA 1.464 0.524 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.706 177.56 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -66.33 162.84 19.38 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 117.826 0.813 . . . . 0.0 109.407 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 46.1 p -94.58 161.09 14.35 Favored 'General case' 0 CA--C 1.506 -0.723 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.642 -176.425 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 14.8 p-10 -60.56 -40.37 91.4 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.261 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.76 -47.39 85.89 Favored 'General case' 0 C--N 1.352 0.694 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -68.64 -44.58 73.88 Favored 'General case' 0 N--CA 1.471 0.611 0 O-C-N 121.525 -0.734 . . . . 0.0 110.488 -177.449 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 83.3 mt -60.88 -50.64 79.72 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.632 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.818 -177.692 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -61.59 -41.54 97.58 Favored 'General case' 0 C--N 1.354 0.767 0 CA-C-O 121.737 0.78 . . . . 0.0 111.306 -176.131 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.56 -44.97 80.87 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.02 -0.991 . . . . 0.0 110.987 -179.355 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.2 mp -61.59 -47.96 90.96 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.085 0 C-N-CA 120.561 -0.456 . . . . 0.0 111.841 -173.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -67.56 -42.78 82.07 Favored 'General case' 0 CA--C 1.506 -0.73 0 CA-C-O 121.702 0.763 . . . . 0.0 110.51 -178.614 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 14.6 m -58.37 -45.32 88.49 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 113.792 -1.549 . . . . 0.0 111.287 -176.073 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 60.5 tttp -68.2 -49.74 58.79 Favored 'General case' 0 N--CA 1.441 -0.894 0 C-N-CA 120.037 -0.665 . . . . 0.0 110.766 -177.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -74.63 -32.42 62.3 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 120.112 -0.635 . . . . 0.0 111.509 -177.018 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -103.89 110.03 22.01 Favored 'General case' 0 N--CA 1.479 1.002 0 N-CA-C 106.749 -1.574 . . . . 0.0 106.749 178.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 15.6 mm-40 -63.83 -50.54 68.48 Favored 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 112.302 0.482 . . . . 0.0 112.302 -176.009 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 63.6 m-20 -106.19 -2.07 22.9 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-N 118.791 0.723 . . . . 0.0 110.918 178.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 50.64 21.75 5.05 Favored Glycine 0 N--CA 1.476 1.344 0 C-N-CA 121.711 -0.28 . . . . 0.0 112.921 -178.212 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -117.62 -8.7 10.89 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 123.475 0.71 . . . . 0.0 111.828 -179.05 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -127.25 165.26 19.98 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 123.156 0.582 . . . . 0.0 110.177 -177.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 86.7 mt-10 -75.65 147.82 39.2 Favored 'General case' 0 N--CA 1.448 -0.553 0 C-N-CA 123.99 0.916 . . . . 0.0 108.877 179.483 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 42.6 tp -90.64 121.8 32.87 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-O 121.394 0.616 . . . . 0.0 109.937 -177.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.3 t -80.3 178.67 8.13 Favored 'General case' 0 CA--C 1.49 -1.337 0 CA-C-N 114.84 -1.073 . . . . 0.0 109.032 -177.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.508 ' O ' ' NE2' ' A' ' 57' ' ' GLN . 14.9 pt-20 -76.72 -49.77 15.22 Favored 'General case' 0 N--CA 1.431 -1.377 0 CA-C-N 113.079 -1.873 . . . . 0.0 110.532 -177.301 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 85.8 t60 -53.93 -50.9 65.41 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 119.884 -0.727 . . . . 0.0 109.866 -174.58 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 91.4 mt-10 -61.38 -46.44 90.16 Favored 'General case' 0 C--O 1.219 -0.533 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 177.576 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 23.9 t-80 -56.76 -50.13 73.19 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 121.014 -0.274 . . . . 0.0 111.251 -179.639 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.508 ' NE2' ' O ' ' A' ' 53' ' ' GLU . 1.2 mp0 -53.12 -41.09 64.7 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 120.7 -0.4 . . . . 0.0 111.223 -179.375 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 83.3 mt-30 -63.57 -53.74 46.96 Favored 'General case' 0 N--CA 1.48 1.028 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 179.644 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 36.4 mmt -60.16 -36.73 78.21 Favored 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 122.822 0.449 . . . . 0.0 110.222 179.559 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 69.2 ttp85 -59.66 -48.83 80.13 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 120.046 -0.662 . . . . 0.0 109.695 -178.41 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 74.7 m-20 -60.58 -36.62 78.98 Favored 'General case' 0 C--N 1.346 0.456 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 59.7 m-20 -67.69 -37.59 82.5 Favored 'General case' 0 C--N 1.342 0.26 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 179.186 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.5 tt -59.99 -50.11 75.02 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.674 -179.074 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 71.4 mt-10 -57.22 -44.1 83.44 Favored 'General case' 0 CA--C 1.55 0.971 0 N-CA-C 110.098 -0.334 . . . . 0.0 110.098 178.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -62.35 -46.26 89.46 Favored 'General case' 0 N--CA 1.478 0.972 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.854 179.386 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 69.6 mt-10 -65.69 -37.41 86.37 Favored 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 110.102 -0.333 . . . . 0.0 110.102 179.291 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 32.0 ttm180 -49.5 -26.28 3.29 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-O 120.753 0.311 . . . . 0.0 111.328 -179.419 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 70.0 mm-40 . . . . . 0 N--CA 1.47 0.53 0 N-CA-C 109.457 -0.572 . . . . 0.0 109.457 179.963 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 69.3 m . . . . . 0 N--CA 1.472 0.665 0 N-CA-C 111.541 0.2 . . . . 0.0 111.541 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 76.9 tt0 -71.32 -43.62 66.7 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 110.195 -0.298 . . . . 0.0 110.195 178.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 95.1 p -63.79 -47.44 80.91 Favored 'General case' 0 N--CA 1.48 1.046 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.059 -179.08 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 29.1 mt -61.58 -42.94 99.58 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.799 -179.435 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.471 ' O ' ' N ' ' A' ' 13' ' ' GLY . 70.7 ttt-85 -63.81 -53.86 44.17 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 115.894 -0.593 . . . . 0.0 109.827 -179.768 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 48.2 tt0 58.42 -71.73 0.02 OUTLIER 'General case' 0 CA--C 1.546 0.807 0 O-C-N 124.386 1.054 . . . . 0.0 110.57 -179.675 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' A' ' 11' ' ' ARG . . . 101.37 -7.3 56.24 Favored Glycine 0 N--CA 1.476 1.32 0 N-CA-C 110.765 -0.934 . . . . 0.0 110.765 179.479 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.9 -50.65 57.11 Favored Glycine 0 CA--C 1.53 0.969 0 N-CA-C 110.654 -0.978 . . . . 0.0 110.654 179.15 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 107.8 -71.55 0.21 Allowed Glycine 0 N--CA 1.483 1.81 0 N-CA-C 110.418 -1.073 . . . . 0.0 110.418 -179.435 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.8 mtpm? -65.78 126.78 29.54 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 179.743 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.4 mt -154.1 133.72 12.87 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 -179.176 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.41 ' O ' ' N ' ' A' ' 21' ' ' GLU . 9.6 t30 -123.27 139.88 53.59 Favored 'General case' 0 C--N 1.332 -0.176 0 N-CA-C 107.299 -1.371 . . . . 0.0 107.299 178.426 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 54.4 p90 -31.01 -37.82 0.02 OUTLIER 'General case' 0 C--O 1.205 -1.289 0 C-N-CA 123.942 0.897 . . . . 0.0 112.566 -177.449 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -72.59 -45.2 60.27 Favored 'General case' 0 N--CA 1.479 1.017 0 CA-C-O 121.143 0.497 . . . . 0.0 112.033 179.193 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.41 ' N ' ' O ' ' A' ' 18' ' ' ASN . 63.7 mm-40 -60.09 -47.85 84.16 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 112.702 0.63 . . . . 0.0 112.702 -177.439 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.8 pp -75.58 -47.01 28.55 Favored 'General case' 0 C--N 1.313 -0.989 0 CA-C-N 115.686 -0.688 . . . . 0.0 112.153 178.445 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.2 ttt85 -60.63 -52.49 64.91 Favored 'General case' 0 N--CA 1.485 1.311 0 CA-C-O 121.448 0.642 . . . . 0.0 112.292 -175.6 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 64.8 mm-40 -60.0 -34.17 72.97 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 115.084 -0.962 . . . . 0.0 111.93 -177.481 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 -71.69 -48.0 50.31 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.828 176.109 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 26.3 mt -62.14 -31.39 71.87 Favored 'General case' 0 N--CA 1.494 1.735 0 CA-C-N 115.249 -0.887 . . . . 0.0 111.541 -177.611 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.1 ttmm -54.89 -45.5 74.69 Favored 'General case' 0 CA--C 1.557 1.225 0 CA-C-O 121.101 0.477 . . . . 0.0 109.796 178.732 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -62.06 -34.07 87.79 Favored Glycine 0 CA--C 1.534 1.224 0 CA-C-N 115.505 -0.77 . . . . 0.0 111.911 179.482 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -70.63 2.8 3.66 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 123.025 0.53 . . . . 0.0 111.279 -178.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 71.3 19.89 77.8 Favored Glycine 0 N--CA 1.468 0.79 0 N-CA-C 111.288 -0.725 . . . . 0.0 111.288 177.222 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -67.9 162.51 24.05 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 117.465 0.632 . . . . 0.0 109.828 179.567 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.407 ' HG1' ' H ' ' A' ' 35' ' ' GLU . 70.4 p -92.23 158.84 15.92 Favored 'General case' 0 C--O 1.217 -0.645 0 CA-C-N 115.694 -0.684 . . . . 0.0 109.725 -177.013 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 -61.93 -43.35 99.03 Favored 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 110.201 -0.296 . . . . 0.0 110.201 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.18 -46.65 87.84 Favored 'General case' 0 N--CA 1.47 0.572 0 O-C-N 123.429 0.456 . . . . 0.0 110.057 -179.521 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.407 ' H ' ' HG1' ' A' ' 32' ' ' THR . 67.5 mm-40 -67.71 -47.1 70.33 Favored 'General case' 0 N--CA 1.471 0.593 0 O-C-N 121.524 -0.735 . . . . 0.0 110.426 -178.259 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 81.4 mt -58.51 -50.3 79.33 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.82 0 CA-C-N 115.582 -0.735 . . . . 0.0 111.148 -177.469 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -64.2 -40.52 96.24 Favored 'General case' 0 C--N 1.35 0.587 0 CA-C-O 121.948 0.88 . . . . 0.0 111.454 -177.407 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.58 -44.76 81.35 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 115.024 -0.989 . . . . 0.0 110.759 -179.181 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.2 mp -61.43 -46.74 95.97 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.993 0 N-CA-C 112.303 0.483 . . . . 0.0 112.303 -173.308 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -68.27 -40.78 81.79 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.896 0.855 . . . . 0.0 110.825 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 15.8 m -59.11 -44.79 92.0 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 114.464 -1.243 . . . . 0.0 111.158 -175.712 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -67.94 -49.56 61.07 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.012 -179.212 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.428 ' CG ' ' SD ' ' A' ' 59' ' ' MET . 14.7 m-85 -73.87 -31.5 63.19 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 120.377 -0.529 . . . . 0.0 111.275 -177.643 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -106.61 104.56 14.27 Favored 'General case' 0 N--CA 1.48 1.049 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 178.234 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 20.6 mm-40 -60.49 -50.32 74.04 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 116.07 -0.514 . . . . 0.0 112.06 -176.223 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 64.1 m-20 -104.8 -1.53 25.99 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-N 118.369 0.531 . . . . 0.0 111.208 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 54.29 20.98 17.74 Favored Glycine 0 N--CA 1.477 1.411 0 CA-C-O 119.985 -0.342 . . . . 0.0 112.306 -178.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -118.79 -11.5 9.77 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 123.585 0.754 . . . . 0.0 111.853 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.5 pp0? -117.73 152.33 35.49 Favored 'General case' 0 N--CA 1.481 1.119 0 CA-C-O 121.618 0.723 . . . . 0.0 111.324 -177.292 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 70.3 mt-10 -76.65 148.48 36.87 Favored 'General case' 0 C--O 1.235 0.311 0 C-N-CA 124.866 1.266 . . . . 0.0 108.599 178.548 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 84.7 mt -90.33 117.56 29.14 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-O 121.711 0.767 . . . . 0.0 109.683 -176.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.0 t -80.0 -178.17 6.36 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-N 114.65 -1.159 . . . . 0.0 108.824 -176.633 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 71.2 mt-10 -63.97 -58.74 5.82 Favored 'General case' 0 C--N 1.311 -1.069 0 CA-C-N 114.262 -1.335 . . . . 0.0 110.581 -178.065 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -54.12 -50.07 67.74 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 119.975 -0.69 . . . . 0.0 109.882 -174.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 41.3 tp10 -60.28 -48.5 81.46 Favored 'General case' 0 CA--C 1.535 0.377 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 178.658 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -61.93 -50.37 72.43 Favored 'General case' 0 CA--C 1.546 0.819 0 O-C-N 123.552 0.532 . . . . 0.0 111.72 -179.365 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -63.26 -34.44 77.68 Favored 'General case' 0 CA--C 1.547 0.858 0 O-C-N 121.505 -0.747 . . . . 0.0 111.267 -179.069 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 62.7 mt-30 -62.02 -55.18 31.86 Favored 'General case' 0 N--CA 1.484 1.241 0 N-CA-C 110.035 -0.358 . . . . 0.0 110.035 -179.739 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.428 ' SD ' ' CG ' ' A' ' 43' ' ' TYR . 14.1 ptm -62.11 -34.48 76.41 Favored 'General case' 0 C--N 1.343 0.312 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 179.164 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 58.2 ttp180 -59.33 -48.41 81.72 Favored 'General case' 0 C--N 1.365 1.271 0 C-N-CA 119.8 -0.76 . . . . 0.0 109.494 -175.489 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 75.7 m-20 -60.16 -36.05 76.7 Favored 'General case' 0 C--O 1.222 -0.359 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 178.705 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -69.63 -38.11 77.07 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 179.722 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 6.2 tp -62.75 -50.46 70.99 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.142 -178.752 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 74.2 mt-10 -57.68 -45.65 85.33 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-O 121.454 0.645 . . . . 0.0 109.967 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 56.0 mtpt -56.58 -38.4 71.95 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.201 179.668 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.63 -43.83 85.13 Favored 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 109.465 -0.569 . . . . 0.0 109.465 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 80.8 mtm180 -57.26 -54.58 45.16 Favored 'General case' 0 N--CA 1.479 0.976 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.791 -176.423 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 . . . . . 0 N--CA 1.48 1.065 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.294 179.937 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 59.1 m . . . . . 0 N--CA 1.471 0.62 0 CA-C-O 120.903 0.383 . . . . 0.0 110.479 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -68.52 -35.12 77.04 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.3 179.524 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 47.4 m -60.33 -48.44 81.72 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-O 120.623 0.249 . . . . 0.0 110.661 -179.48 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 33.3 mt -62.54 -43.38 98.95 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.974 179.487 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.434 ' O ' ' N ' ' A' ' 13' ' ' GLY . 57.9 ttm-85 -63.71 -52.87 58.63 Favored 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 -179.729 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 59.5 tp60 61.89 -70.76 0.05 OUTLIER 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 115.106 -0.952 . . . . 0.0 110.195 -179.704 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 11' ' ' ARG . . . 69.81 -1.56 15.67 Favored Glycine 0 N--CA 1.469 0.877 0 N-CA-C 110.712 -0.955 . . . . 0.0 110.712 179.563 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.67 -34.4 89.8 Favored Glycine 0 C--N 1.339 0.717 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 179.671 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 99.56 -73.79 0.49 Allowed Glycine 0 N--CA 1.472 1.07 0 N-CA-C 110.288 -1.125 . . . . 0.0 110.288 -179.542 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 45.5 mmtm -80.85 125.47 30.14 Favored 'General case' 0 N--CA 1.477 0.894 0 CA-C-O 121.093 0.473 . . . . 0.0 110.539 179.764 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.5 pp -161.33 150.1 16.05 Favored 'General case' 0 N--CA 1.437 -1.125 0 CA-C-N 115.24 -0.891 . . . . 0.0 109.384 179.433 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.447 ' ND2' ' N ' ' A' ' 18' ' ' ASN . 0.1 OUTLIER -133.06 144.58 50.11 Favored 'General case' 0 C--N 1.318 -0.763 0 C-N-CA 124.011 0.924 . . . . 0.0 108.984 179.23 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 43.0 p90 -31.28 -33.23 0.01 OUTLIER 'General case' 0 C--O 1.202 -1.446 0 C-N-CA 124.243 1.017 . . . . 0.0 112.649 -178.744 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -73.52 -44.88 56.61 Favored 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 111.869 0.322 . . . . 0.0 111.869 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.419 ' N ' ' O ' ' A' ' 18' ' ' ASN . 0.0 OUTLIER -60.44 -45.64 92.92 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-O 121.3 0.571 . . . . 0.0 111.52 -175.477 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.2 pp -76.72 -47.04 23.1 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.069 -0.969 . . . . 0.0 111.427 -179.559 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.9 ttt180 -59.88 -50.01 75.47 Favored 'General case' 0 N--CA 1.477 0.91 0 CA-C-N 116.4 -0.363 . . . . 0.0 111.328 -176.11 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -56.16 -35.0 66.69 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.71 -178.704 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -72.18 -48.69 41.37 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 123.554 0.742 . . . . 0.0 112.906 177.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 47.7 mt -61.35 -31.24 71.12 Favored 'General case' 0 N--CA 1.483 1.206 0 CA-C-N 115.137 -0.938 . . . . 0.0 111.035 -176.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 31.6 ttmt -55.39 -45.0 76.64 Favored 'General case' 0 CA--C 1.548 0.89 0 CA-C-O 121.408 0.623 . . . . 0.0 109.509 178.532 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -62.03 -35.49 91.52 Favored Glycine 0 CA--C 1.53 0.972 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.353 179.616 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt -70.39 1.46 4.97 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 121.022 0.439 . . . . 0.0 110.991 -179.107 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 71.82 19.87 78.38 Favored Glycine 0 N--CA 1.465 0.585 0 CA-C-N 115.516 -0.766 . . . . 0.0 111.916 177.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -67.59 162.36 23.65 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 118.094 0.947 . . . . 0.0 109.94 179.169 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.438 ' HG1' ' H ' ' A' ' 35' ' ' GLU . 63.0 p -92.82 160.84 14.76 Favored 'General case' 0 CA--C 1.506 -0.726 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.631 -177.045 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 15.6 p-10 -60.52 -41.26 94.04 Favored 'General case' 0 N--CA 1.463 0.205 0 N-CA-C 110.162 -0.31 . . . . 0.0 110.162 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.72 -47.16 86.75 Favored 'General case' 0 CA--C 1.539 0.521 0 O-C-N 123.497 0.498 . . . . 0.0 109.968 -179.774 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.438 ' H ' ' HG1' ' A' ' 32' ' ' THR . 75.8 mt-10 -67.61 -47.9 68.36 Favored 'General case' 0 N--CA 1.472 0.636 0 O-C-N 121.568 -0.707 . . . . 0.0 110.349 -178.329 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 79.5 mt -57.82 -50.62 77.08 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.841 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.9 -176.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -64.77 -42.11 95.36 Favored 'General case' 0 C--N 1.351 0.656 0 CA-C-O 121.78 0.8 . . . . 0.0 111.762 -177.023 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.93 -44.6 88.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.421 -0.809 . . . . 0.0 111.242 -179.052 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.2 mp -61.5 -47.33 93.92 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.694 0 C-N-CA 120.257 -0.577 . . . . 0.0 112.315 -173.426 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -67.51 -41.77 83.92 Favored 'General case' 0 CA--C 1.507 -0.691 0 CA-C-O 122.221 1.01 . . . . 0.0 110.707 -179.405 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 24.0 m -59.73 -43.97 93.98 Favored 'General case' 0 N--CA 1.442 -0.84 0 CA-C-N 113.391 -1.731 . . . . 0.0 111.124 -177.26 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 61.0 tttp -65.73 -50.11 66.0 Favored 'General case' 0 N--CA 1.442 -0.86 0 C-N-CA 119.587 -0.845 . . . . 0.0 110.402 -178.06 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 29.8 m-85 -73.82 -32.72 63.85 Favored 'General case' 0 C--N 1.356 0.863 0 C-N-CA 118.994 -1.082 . . . . 0.0 110.583 -177.506 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -100.77 103.86 15.1 Favored 'General case' 0 N--CA 1.487 1.421 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 178.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 19.2 mm-40 -60.97 -50.75 72.12 Favored 'General case' 0 C--O 1.239 0.542 0 N-CA-C 112.665 0.617 . . . . 0.0 112.665 -175.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 65.6 m-20 -105.82 -2.34 23.23 Favored 'General case' 0 N--CA 1.485 1.304 0 CA-C-N 119.028 0.831 . . . . 0.0 111.401 179.246 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 45.85 31.64 4.14 Favored Glycine 0 N--CA 1.482 1.738 0 C-N-CA 121.88 -0.2 . . . . 0.0 113.261 -179.679 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -115.42 -15.08 11.56 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 123.24 0.616 . . . . 0.0 111.568 -178.084 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.0 pm0 -132.07 173.94 10.7 Favored 'General case' 0 N--CA 1.484 1.263 0 CA-C-O 121.37 0.605 . . . . 0.0 110.819 -178.368 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 67.4 mt-10 -75.47 147.58 39.74 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 179.784 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 19.6 tp -90.55 121.9 32.89 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 -177.162 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 6.6 t -80.01 179.91 7.35 Favored 'General case' 0 CA--C 1.499 -0.998 0 CA-C-N 115.228 -0.896 . . . . 0.0 109.987 -177.007 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 72.5 mt-10 -75.25 -50.97 14.43 Favored 'General case' 0 N--CA 1.44 -0.96 0 CA-C-N 113.497 -1.683 . . . . 0.0 110.646 -178.138 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 84.3 t60 -54.61 -50.63 67.6 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 119.858 -0.737 . . . . 0.0 109.76 -174.323 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 90.0 mt-10 -60.94 -50.71 72.31 Favored 'General case' 0 C--O 1.219 -0.53 0 CA-C-N 118.327 0.512 . . . . 0.0 109.742 178.099 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 73.9 t60 -59.96 -53.76 54.1 Favored 'General case' 0 CA--C 1.547 0.839 0 N-CA-C 112.422 0.527 . . . . 0.0 112.422 -178.633 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -56.78 -39.99 75.08 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 118.442 0.565 . . . . 0.0 111.877 -178.732 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 81.8 mt-30 -63.25 -54.17 41.54 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 179.675 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 34.3 mmt -63.95 -34.71 78.6 Favored 'General case' 0 C--N 1.346 0.423 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 179.626 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 59.2 ttp180 -59.1 -48.2 82.47 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 119.572 -0.851 . . . . 0.0 109.667 -178.526 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -60.51 -36.32 78.07 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-O 121.512 0.672 . . . . 0.0 109.904 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 48.6 m-20 -68.43 -39.81 81.4 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 114.853 -1.067 . . . . 0.0 109.086 178.613 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 40.7 tp -59.73 -48.53 81.31 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.423 -179.284 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -56.93 -44.26 82.28 Favored 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 31.1 tptt -59.83 -42.85 94.45 Favored 'General case' 0 CA--C 1.546 0.793 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.597 179.142 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -65.72 -44.49 85.88 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-N 116.117 -0.492 . . . . 0.0 109.869 179.593 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -53.49 -44.39 68.99 Favored 'General case' 0 N--CA 1.48 1.068 0 N-CA-C 110.623 -0.14 . . . . 0.0 110.623 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 79.1 tt0 . . . . . 0 N--CA 1.476 0.831 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 179.702 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 96.9 p . . . . . 0 N--CA 1.468 0.44 0 CA-C-O 120.177 0.037 . . . . 0.0 110.934 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -70.33 -37.37 74.67 Favored 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 110.059 -0.348 . . . . 0.0 110.059 179.361 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 79.5 p -60.22 -48.11 83.11 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 116.614 -0.266 . . . . 0.0 110.845 -179.275 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -64.01 -44.26 93.15 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 121.104 -0.239 . . . . 0.0 111.178 179.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 91.1 mtm180 -71.39 -53.43 14.13 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-O 120.779 0.323 . . . . 0.0 111.042 -178.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 9.7 tp-100 -79.52 143.14 35.13 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.51 -178.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 69.53 18.18 73.45 Favored Glycine 0 C--N 1.339 0.705 0 N-CA-C 110.593 -1.003 . . . . 0.0 110.593 179.487 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.555 ' O ' ' N ' ' A' ' 16' ' ' LYS . . . -62.63 -115.32 0.01 OUTLIER Glycine 0 CA--C 1.533 1.185 0 N-CA-C 110.521 -1.032 . . . . 0.0 110.521 -179.772 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 51.53 -75.25 0.01 OUTLIER Glycine 0 N--CA 1.479 1.552 0 CA-C-N 117.612 0.706 . . . . 0.0 111.699 -179.484 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.555 ' N ' ' O ' ' A' ' 14' ' ' GLY . 55.7 tttp -120.85 130.09 53.8 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 108.376 -0.972 . . . . 0.0 108.376 176.829 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.5 mt -148.1 130.47 15.68 Favored 'General case' 0 N--CA 1.477 0.89 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 179.043 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.418 ' O ' ' N ' ' A' ' 21' ' ' GLU . 6.4 t30 -128.79 141.61 51.25 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 107.473 -1.306 . . . . 0.0 107.473 178.046 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 55.3 p90 -30.66 -35.64 0.01 OUTLIER 'General case' 0 C--O 1.207 -1.17 0 O-C-N 124.013 0.821 . . . . 0.0 112.321 -177.092 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.41 ' H ' ' ND2' ' A' ' 18' ' ' ASN . 18.1 t70 -72.9 -45.47 58.01 Favored 'General case' 0 N--CA 1.476 0.855 0 N-CA-C 112.466 0.543 . . . . 0.0 112.466 179.205 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.418 ' N ' ' O ' ' A' ' 18' ' ' ASN . 69.1 mm-40 -59.78 -47.31 86.2 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 112.714 0.635 . . . . 0.0 112.714 -177.741 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.2 pp -75.71 -46.82 28.97 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 115.529 -0.759 . . . . 0.0 112.659 179.092 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 11.3 ttm180 -61.64 -49.99 74.35 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-O 121.335 0.588 . . . . 0.0 111.468 -175.701 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 56.7 mm-40 -61.75 -34.36 75.71 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.595 -178.473 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -71.25 -48.82 48.72 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.698 0.761 . . . . 0.0 110.094 176.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 23.0 mt -63.14 -31.62 72.8 Favored 'General case' 0 N--CA 1.49 1.525 0 CA-C-N 114.521 -1.218 . . . . 0.0 111.463 -177.385 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 34.9 ttpt -55.27 -44.81 75.97 Favored 'General case' 0 CA--C 1.556 1.21 0 CA-C-O 121.214 0.53 . . . . 0.0 110.033 178.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.412 ' C ' ' H ' ' A' ' 30' ' ' GLY . . . -63.48 -33.51 87.44 Favored Glycine 0 CA--C 1.531 1.085 0 CA-C-N 115.916 -0.584 . . . . 0.0 112.055 179.464 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -70.56 6.49 1.4 Allowed 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 122.638 0.375 . . . . 0.0 111.409 -178.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.412 ' H ' ' C ' ' A' ' 28' ' ' GLY . . . 70.13 19.83 75.97 Favored Glycine 0 N--CA 1.464 0.552 0 N-CA-C 111.518 -0.633 . . . . 0.0 111.518 177.088 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -69.98 162.78 27.44 Favored 'General case' 0 C--N 1.345 0.38 0 CA-C-N 117.752 0.776 . . . . 0.0 109.93 179.523 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 68.3 p -96.3 160.36 14.47 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.067 -177.365 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 15.5 p-10 -61.08 -40.53 94.05 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.408 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.29 -46.6 89.28 Favored 'General case' 0 C--N 1.35 0.609 0 C-N-CA 120.429 -0.508 . . . . 0.0 109.797 -179.69 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 71.0 mm-40 -69.14 -48.11 63.27 Favored 'General case' 0 N--CA 1.474 0.732 0 O-C-N 121.574 -0.703 . . . . 0.0 110.39 -178.176 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 81.6 mt -57.72 -50.2 78.27 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.798 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.244 -177.577 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -64.58 -36.96 85.93 Favored 'General case' 0 C--N 1.346 0.449 0 CA-C-O 121.099 0.476 . . . . 0.0 111.047 -178.254 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.94 -45.42 77.87 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.764 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.4 mp -61.62 -47.04 95.18 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.888 0 C-N-CA 119.927 -0.709 . . . . 0.0 112.063 -175.189 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -67.74 -40.68 84.11 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.175 0.512 . . . . 0.0 109.818 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 14.0 m -59.03 -46.37 88.38 Favored 'General case' 0 C--N 1.345 0.392 0 CA-C-N 115.628 -0.715 . . . . 0.0 111.204 -176.03 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 54.8 mtmt -71.59 -48.61 47.11 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.16 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -71.71 -29.49 64.61 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-O 119.696 -0.193 . . . . 0.0 110.482 -177.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.479 ' N ' ' OD1' ' A' ' 44' ' ' ASP . 0.0 OUTLIER -115.69 106.91 14.42 Favored 'General case' 0 N--CA 1.479 0.979 0 N-CA-C 107.988 -1.115 . . . . 0.0 107.988 -178.961 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 22.5 mm-40 -62.06 -50.82 70.46 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 119.2 -0.428 . . . . 0.0 111.992 -176.715 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 66.5 m-20 -106.34 -2.22 22.48 Favored 'General case' 0 N--CA 1.479 0.991 0 CA-C-N 118.48 0.582 . . . . 0.0 111.495 178.57 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 47.66 29.24 5.69 Favored Glycine 0 N--CA 1.478 1.495 0 C-N-CA 121.735 -0.269 . . . . 0.0 112.766 -179.061 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -117.54 -14.58 10.27 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.161 0.584 . . . . 0.0 111.737 -179.037 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.1 pm0 -128.66 177.23 7.18 Favored 'General case' 0 N--CA 1.487 1.412 0 CA-C-O 121.563 0.697 . . . . 0.0 111.588 -177.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -75.5 148.31 39.09 Favored 'General case' 0 CA--C 1.528 0.107 0 CA-C-N 114.929 -1.032 . . . . 0.0 109.552 179.249 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 6.1 mt -90.35 120.89 31.85 Favored 'General case' 0 N--CA 1.477 0.898 0 CA-C-O 121.233 0.54 . . . . 0.0 109.707 -176.509 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.3 t -80.57 179.23 7.85 Favored 'General case' 0 CA--C 1.502 -0.902 0 CA-C-N 115.104 -0.953 . . . . 0.0 109.489 -177.392 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -72.64 -53.75 10.96 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-N 113.618 -1.628 . . . . 0.0 111.071 -178.721 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 31.0 t-80 -54.74 -50.4 68.5 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 119.847 -0.741 . . . . 0.0 110.5 -174.409 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -61.59 -50.33 73.01 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 118.301 0.5 . . . . 0.0 110.252 178.496 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 54.5 t-80 -60.62 -51.15 70.62 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 112.37 0.507 . . . . 0.0 112.37 -178.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.418 ' NE2' ' N ' ' A' ' 57' ' ' GLN . 0.5 OUTLIER -60.22 -34.2 73.33 Favored 'General case' 0 N--CA 1.475 0.818 0 O-C-N 122.065 -0.397 . . . . 0.0 111.108 -179.458 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 48.4 tt0 -65.4 -54.25 31.47 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 -179.54 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 34.3 mmt -62.84 -34.22 76.88 Favored 'General case' 0 C--N 1.35 0.614 0 N-CA-C 110.139 -0.319 . . . . 0.0 110.139 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 73.4 ttt180 -58.94 -49.04 79.35 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 119.646 -0.821 . . . . 0.0 109.902 -178.545 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 -60.58 -38.09 83.49 Favored 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 109.879 -0.415 . . . . 0.0 109.879 179.588 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 56.4 m-20 -67.02 -40.65 87.29 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.619 178.704 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 6.6 tp -60.07 -49.4 77.8 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.051 -179.146 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -57.99 -44.21 87.01 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 120.848 -0.341 . . . . 0.0 110.155 179.23 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 66.8 mmtt -63.44 -45.55 90.39 Favored 'General case' 0 N--CA 1.476 0.872 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.68 179.448 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -67.16 -44.04 80.77 Favored 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 109.951 -0.388 . . . . 0.0 109.951 179.515 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 37.6 mmm-85 -55.43 -40.14 71.14 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.836 179.705 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 79.7 tt0 . . . . . 0 N--CA 1.474 0.744 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 179.346 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 51.6 m . . . . . 0 N--CA 1.47 0.538 0 CA-C-O 120.776 0.322 . . . . 0.0 110.227 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 78.3 mt-10 -66.49 -35.31 79.94 Favored 'General case' 0 CA--C 1.543 0.707 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.388 179.694 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 35.4 t -63.97 -40.6 96.78 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-O 120.861 0.363 . . . . 0.0 111.469 179.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 9.4 mp -59.06 -30.05 67.76 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.831 -179.039 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 81.1 mtp180 -59.29 -37.39 77.56 Favored 'General case' 0 N--CA 1.48 1.04 0 CA-C-O 121.082 0.468 . . . . 0.0 110.003 -179.176 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 97.1 mm-40 -67.72 151.95 46.4 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 108.269 -1.011 . . . . 0.0 108.269 178.528 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.43 ' C ' ' H ' ' A' ' 15' ' ' GLY . . . 144.65 18.54 0.19 Allowed Glycine 0 N--CA 1.482 1.76 0 N-CA-C 109.682 -1.367 . . . . 0.0 109.682 -177.216 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -69.62 43.13 0.45 Allowed Glycine 0 CA--C 1.533 1.173 0 N-CA-C 111.479 -0.648 . . . . 0.0 111.479 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.43 ' H ' ' C ' ' A' ' 13' ' ' GLY . . . 70.21 -72.49 0.58 Allowed Glycine 0 N--CA 1.466 0.643 0 N-CA-C 111.541 -0.624 . . . . 0.0 111.541 179.491 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 70.5 mmtt -92.43 117.51 30.0 Favored 'General case' 0 N--CA 1.479 1.017 0 CA-C-O 120.872 0.368 . . . . 0.0 111.116 -179.187 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.0 pp -160.36 150.54 18.17 Favored 'General case' 0 N--CA 1.447 -0.589 0 N-CA-C 108.385 -0.968 . . . . 0.0 108.385 177.203 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.509 ' O ' ' N ' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -138.71 147.37 42.64 Favored 'General case' 0 N--CA 1.477 0.924 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 179.61 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 42.3 p90 -33.0 -29.17 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 124.656 1.182 . . . . 0.0 113.195 -179.042 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.406 ' N ' ' O ' ' A' ' 18' ' ' ASN . 61.0 m-20 -68.88 -45.15 71.72 Favored 'General case' 0 C--O 1.213 -0.861 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 178.111 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.509 ' N ' ' O ' ' A' ' 18' ' ' ASN . 74.1 mm-40 -59.56 -40.69 88.14 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 115.941 -0.572 . . . . 0.0 109.849 179.821 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 84.7 mt -73.78 -48.24 33.01 Favored 'General case' 0 N--CA 1.478 0.955 0 CA-C-O 121.243 0.544 . . . . 0.0 110.551 178.747 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 50.0 ttp85 -61.63 -52.51 64.08 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-N 115.418 -0.81 . . . . 0.0 112.385 -178.536 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 37.2 mm-40 -61.66 -38.89 89.41 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-N 115.73 -0.668 . . . . 0.0 112.145 -175.505 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 89.7 m-20 -72.45 -49.52 32.82 Favored 'General case' 0 N--CA 1.445 -0.72 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 174.538 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 56.3 mt -63.95 -33.42 75.69 Favored 'General case' 0 N--CA 1.501 2.114 0 CA-C-N 115.405 -0.816 . . . . 0.0 112.573 -177.214 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.7 ttpp -55.07 -43.9 74.32 Favored 'General case' 0 CA--C 1.562 1.415 0 CA-C-O 121.188 0.518 . . . . 0.0 110.137 177.409 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -62.72 -30.2 76.17 Favored Glycine 0 CA--C 1.538 1.471 0 CA-C-N 116.16 -0.473 . . . . 0.0 113.221 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -73.52 6.85 2.72 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 122.575 0.35 . . . . 0.0 111.413 -178.46 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 71.02 15.83 74.48 Favored Glycine 0 N--CA 1.468 0.809 0 CA-C-N 116.004 -0.544 . . . . 0.0 112.01 177.142 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -67.47 161.99 24.18 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 117.387 0.593 . . . . 0.0 109.526 179.384 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 60.8 p -93.37 163.15 13.71 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 115.547 -0.752 . . . . 0.0 109.851 -177.228 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -59.96 -41.73 92.54 Favored 'General case' 0 C--O 1.232 0.152 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.73 -47.24 86.44 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 120.715 -0.394 . . . . 0.0 109.983 179.685 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -69.26 -45.76 68.92 Favored 'General case' 0 N--CA 1.479 1.012 0 O-C-N 121.345 -0.847 . . . . 0.0 110.582 -177.536 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 85.6 mt -58.83 -50.66 78.62 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.902 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.463 -177.743 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -62.79 -44.41 96.24 Favored 'General case' 0 C--N 1.352 0.682 0 CA-C-O 121.203 0.525 . . . . 0.0 112.239 -177.405 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.7 -44.73 95.48 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 115.018 -0.992 . . . . 0.0 112.296 -179.164 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.3 mp -65.86 -47.34 85.9 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.883 0 C-N-CA 119.676 -0.81 . . . . 0.0 112.02 -174.063 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.445 ' CG ' ' N ' ' A' ' 41' ' ' THR . 0.2 OUTLIER -66.4 -46.09 77.77 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 121.218 0.532 . . . . 0.0 111.373 -178.068 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.445 ' N ' ' CG ' ' A' ' 40' ' ' PHE . 6.0 t -64.44 -35.62 81.5 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-N 114.707 -1.133 . . . . 0.0 112.009 -174.422 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -66.02 -49.91 66.09 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 120.203 -0.599 . . . . 0.0 109.636 -179.407 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 45.0 m-85 -74.51 -33.04 62.71 Favored 'General case' 0 C--N 1.364 1.218 0 C-N-CA 118.685 -1.206 . . . . 0.0 110.101 -178.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 -97.96 100.75 12.11 Favored 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 178.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 20.4 mm-40 -59.29 -50.81 72.57 Favored 'General case' 0 CA--C 1.545 0.785 0 N-CA-C 112.862 0.69 . . . . 0.0 112.862 -175.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 66.2 m-20 -106.05 -2.59 22.56 Favored 'General case' 0 N--CA 1.49 1.549 0 CA-C-N 119.382 0.992 . . . . 0.0 111.995 178.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 43.35 31.71 1.58 Allowed Glycine 0 N--CA 1.492 2.415 0 CA-C-O 120.791 0.106 . . . . 0.0 113.196 -179.319 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -114.38 -21.38 10.41 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 123.766 0.826 . . . . 0.0 111.844 -178.414 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.415 ' H ' ' NE2' ' A' ' 49' ' ' GLN . 2.7 pm0 -127.16 176.59 7.26 Favored 'General case' 0 N--CA 1.493 1.713 0 C-N-CA 123.122 0.569 . . . . 0.0 110.869 -178.553 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 20.4 mp0 -75.91 146.88 39.39 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 18.9 tp -91.71 121.72 33.61 Favored 'General case' 0 N--CA 1.48 1.07 0 CA-C-O 120.976 0.417 . . . . 0.0 110.357 -177.114 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.2 t -80.13 177.01 9.24 Favored 'General case' 0 CA--C 1.505 -0.787 0 CA-C-O 122.308 1.051 . . . . 0.0 110.552 -177.346 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.3 pm0 -73.85 -48.7 29.25 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 113.087 -1.869 . . . . 0.0 110.208 -178.596 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 56.6 t-80 -54.76 -50.71 67.78 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 119.892 -0.723 . . . . 0.0 110.24 -174.302 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 74.9 mt-10 -63.95 -50.36 68.92 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 118.415 0.552 . . . . 0.0 109.896 178.631 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 42.6 t-80 -58.23 -53.65 55.88 Favored 'General case' 0 CA--C 1.549 0.924 0 N-CA-C 112.192 0.441 . . . . 0.0 112.192 -179.319 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.431 ' NE2' ' N ' ' A' ' 57' ' ' GLN . 0.7 OUTLIER -61.31 -40.13 93.05 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-N 118.529 0.604 . . . . 0.0 111.279 -179.119 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 57.2 tt0 -63.91 -55.0 25.88 Favored 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 -179.63 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 86.3 mmm -60.84 -43.97 97.61 Favored 'General case' 0 C--N 1.346 0.445 0 CA-C-O 121.014 0.435 . . . . 0.0 111.085 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 72.2 ttt180 -59.33 -49.52 77.49 Favored 'General case' 0 CA--C 1.552 1.05 0 C-N-CA 119.704 -0.798 . . . . 0.0 109.062 -179.471 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -60.23 -37.84 81.58 Favored 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 -179.504 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 76.2 m-20 -65.48 -40.37 93.05 Favored 'General case' 0 C--N 1.342 0.258 0 N-CA-C 108.174 -1.047 . . . . 0.0 108.174 178.161 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.2 tp -58.51 -46.93 85.71 Favored 'General case' 0 C--N 1.35 0.622 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.382 -178.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -61.06 -44.43 97.39 Favored 'General case' 0 CA--C 1.559 1.315 0 C-N-CA 120.65 -0.42 . . . . 0.0 110.543 178.618 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -60.12 -48.28 82.38 Favored 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 113.276 0.843 . . . . 0.0 113.276 -178.574 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -70.84 -36.86 73.06 Favored 'General case' 0 N--CA 1.485 1.299 0 N-CA-C 110.164 -0.31 . . . . 0.0 110.164 -179.618 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 41.5 mtp85 -54.03 -49.63 68.49 Favored 'General case' 0 N--CA 1.484 1.241 0 CA-C-N 116.615 -0.266 . . . . 0.0 110.559 -179.647 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 73.4 mt-10 . . . . . 0 N--CA 1.483 1.204 0 CA-C-O 121.003 0.43 . . . . 0.0 109.933 179.732 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 83.1 p . . . . . 0 N--CA 1.467 0.422 0 CA-C-O 120.269 0.08 . . . . 0.0 111.145 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 79.2 tt0 -68.83 -38.97 80.2 Favored 'General case' 0 N--CA 1.472 0.65 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 178.746 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 89.4 p -61.57 -49.04 78.25 Favored 'General case' 0 N--CA 1.48 1.046 0 CA-C-O 120.926 0.393 . . . . 0.0 110.473 -179.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 59.8 mt -58.93 -43.7 91.23 Favored 'General case' 0 CA--C 1.545 0.775 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.027 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.47 ' O ' ' N ' ' A' ' 13' ' ' GLY . 40.3 ttm180 -64.51 -54.3 34.53 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 110.249 -0.278 . . . . 0.0 110.249 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 61.8 tp60 54.49 -75.87 0.01 OUTLIER 'General case' 0 CA--C 1.549 0.911 0 O-C-N 124.158 0.911 . . . . 0.0 111.026 -179.008 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 11' ' ' ARG . . . 74.42 16.23 80.03 Favored Glycine 0 N--CA 1.468 0.781 0 N-CA-C 110.832 -0.907 . . . . 0.0 110.832 179.166 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -78.25 -15.87 80.4 Favored Glycine 0 N--CA 1.466 0.658 0 N-CA-C 110.824 -0.91 . . . . 0.0 110.824 179.691 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 95.02 -28.16 12.53 Favored Glycine 0 N--CA 1.477 1.389 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp -119.37 122.79 42.6 Favored 'General case' 0 N--CA 1.482 1.153 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 179.32 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.1 mt -132.78 109.92 10.0 Favored 'General case' 0 C--N 1.352 0.71 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 -178.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.468 ' O ' ' N ' ' A' ' 21' ' ' GLU . 2.2 p-10 -125.1 132.33 53.15 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 107.457 -1.312 . . . . 0.0 107.457 178.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 29.8 p90 -31.52 -29.93 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.693 1.197 . . . . 0.0 113.741 -179.175 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.435 ' N ' ' O ' ' A' ' 18' ' ' ASN . 66.8 m-20 -71.49 -45.48 62.38 Favored 'General case' 0 C--O 1.218 -0.562 0 CA-C-N 115.58 -0.736 . . . . 0.0 109.355 -179.702 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.468 ' N ' ' O ' ' A' ' 18' ' ' ASN . 0.0 OUTLIER -58.38 -36.83 74.11 Favored 'General case' 0 CA--C 1.549 0.924 0 N-CA-C 107.806 -1.183 . . . . 0.0 107.806 -178.556 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 96.2 mt -73.69 -48.42 32.31 Favored 'General case' 0 CA--C 1.495 -1.155 0 CA-C-O 121.533 0.682 . . . . 0.0 110.81 178.666 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 11.7 ttm180 -61.16 -51.69 67.97 Favored 'General case' 0 C--N 1.312 -1.033 0 CA-C-N 115.188 -0.915 . . . . 0.0 111.275 -177.646 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 82.5 mt-30 -62.04 -37.12 83.72 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 112.696 0.628 . . . . 0.0 112.696 -177.444 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -72.06 -48.82 41.45 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.034 0.445 . . . . 0.0 110.379 176.462 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 24.1 mt -61.33 -32.05 71.92 Favored 'General case' 0 N--CA 1.493 1.69 0 CA-C-N 115.309 -0.86 . . . . 0.0 112.139 -176.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 32.1 ttmt -54.97 -44.41 74.38 Favored 'General case' 0 CA--C 1.555 1.149 0 CA-C-O 121.201 0.524 . . . . 0.0 110.451 178.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -62.96 -33.48 87.3 Favored Glycine 0 CA--C 1.532 1.116 0 CA-C-N 115.56 -0.745 . . . . 0.0 112.285 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt -70.6 4.37 2.47 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 122.836 0.455 . . . . 0.0 111.489 -178.522 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 70.43 19.62 76.31 Favored Glycine 0 N--CA 1.47 0.944 0 N-CA-C 111.722 -0.551 . . . . 0.0 111.722 177.181 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -71.41 162.34 29.59 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 117.33 0.565 . . . . 0.0 109.481 179.543 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 72.9 p -90.7 162.76 14.77 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.052 -177.712 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -59.56 -44.11 93.38 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.675 -0.239 . . . . 0.0 110.366 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.04 -47.42 85.28 Favored 'General case' 0 N--CA 1.47 0.572 0 O-C-N 123.385 0.428 . . . . 0.0 110.353 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 71.4 mm-40 -69.56 -41.64 75.61 Favored 'General case' 0 N--CA 1.476 0.863 0 O-C-N 121.487 -0.758 . . . . 0.0 111.059 -177.689 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 64.3 mt -59.52 -50.58 79.39 Favored 'Isoleucine or valine' 0 C--O 1.245 0.819 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.012 -179.029 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -63.61 -42.24 98.24 Favored 'General case' 0 C--N 1.345 0.412 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.58 -177.197 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.55 -45.88 90.92 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 116.011 -0.54 . . . . 0.0 112.109 -178.468 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.3 mp -60.84 -46.85 95.51 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.856 0 C-N-CA 119.922 -0.711 . . . . 0.0 111.149 -173.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -66.99 -39.84 87.24 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.572 0.701 . . . . 0.0 110.271 -178.505 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 36.8 m -61.5 -46.27 90.69 Favored 'General case' 0 C--O 1.239 0.524 0 CA-C-N 114.249 -1.341 . . . . 0.0 111.578 -175.294 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -66.73 -49.2 66.75 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 -179.718 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 16.7 m-85 -71.49 -32.41 68.21 Favored 'General case' 0 C--O 1.217 -0.619 0 C-N-CA 119.97 -0.692 . . . . 0.0 110.427 -177.583 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -113.83 105.57 13.42 Favored 'General case' 0 N--CA 1.489 1.498 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 179.467 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 27.8 mm-40 -59.2 -51.44 69.96 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-O 119.187 -0.435 . . . . 0.0 112.125 -175.691 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 27.9 t0 -106.27 -3.01 21.72 Favored 'General case' 0 N--CA 1.483 1.212 0 CA-C-N 118.821 0.737 . . . . 0.0 111.823 178.319 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 42.65 40.8 4.02 Favored Glycine 0 N--CA 1.488 2.14 0 CA-C-N 117.816 0.28 . . . . 0.0 112.533 -179.003 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -118.0 -20.69 8.63 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 123.569 0.748 . . . . 0.0 111.836 -178.017 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.418 ' H ' ' NE2' ' A' ' 49' ' ' GLN . 2.6 pm0 -129.56 -178.61 4.75 Favored 'General case' 0 N--CA 1.489 1.502 0 CA-C-O 121.371 0.605 . . . . 0.0 110.989 -177.83 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -76.26 146.85 38.68 Favored 'General case' 0 C--N 1.341 0.2 0 CA-C-N 115.483 -0.78 . . . . 0.0 109.404 179.395 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 31.1 tp -91.29 122.72 34.15 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-O 121.352 0.596 . . . . 0.0 110.68 -177.592 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 6.3 t -80.35 -179.83 7.32 Favored 'General case' 0 CA--C 1.504 -0.796 0 CA-C-N 115.122 -0.944 . . . . 0.0 110.568 -178.23 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -73.54 -49.42 26.57 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-N 113.478 -1.692 . . . . 0.0 110.532 -178.611 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . 0.451 ' NE2' ' NE2' ' A' ' 58' ' ' GLN . 82.4 t60 -54.46 -51.24 65.62 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 120.454 -0.498 . . . . 0.0 110.0 -174.707 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 67.8 mm-40 -62.0 -51.04 69.63 Favored 'General case' 0 CA--C 1.539 0.525 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 178.346 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.466 ' CD2' HH21 ' A' ' 60' ' ' ARG . 0.9 OUTLIER -58.5 -53.74 54.86 Favored 'General case' 0 CA--C 1.546 0.799 0 N-CA-C 112.736 0.643 . . . . 0.0 112.736 -179.321 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -57.56 -37.67 73.52 Favored 'General case' 0 CA--C 1.547 0.83 0 CA-C-N 118.222 0.464 . . . . 0.0 111.469 -178.553 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.451 ' NE2' ' NE2' ' A' ' 54' ' ' HIS . 86.9 mt-30 -63.81 -53.88 43.9 Favored 'General case' 0 N--CA 1.478 0.974 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 179.205 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 67.8 mmm -64.75 -35.09 79.96 Favored 'General case' 0 CA--C 1.512 -0.495 0 CA-C-O 120.893 0.378 . . . . 0.0 111.057 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.466 HH21 ' CD2' ' A' ' 56' ' ' HIS . 38.2 ttm180 -59.76 -48.93 79.71 Favored 'General case' 0 CA--C 1.549 0.933 0 N-CA-C 109.23 -0.655 . . . . 0.0 109.23 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 75.9 m-20 -60.71 -36.6 79.24 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-O 121.09 0.471 . . . . 0.0 110.046 -179.716 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 62.3 m-20 -64.76 -36.66 85.01 Favored 'General case' 0 N--CA 1.464 0.249 0 N-CA-C 108.963 -0.754 . . . . 0.0 108.963 178.216 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 7.3 tp -58.66 -47.7 83.56 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.566 -179.311 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -61.18 -44.47 97.25 Favored 'General case' 0 CA--C 1.554 1.113 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.41 179.404 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -63.91 -49.74 71.46 Favored 'General case' 0 N--CA 1.487 1.399 0 N-CA-C 113.718 1.007 . . . . 0.0 113.718 -178.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -67.98 -44.79 75.85 Favored 'General case' 0 N--CA 1.482 1.137 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 -177.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 79.1 mtm180 -55.88 -44.14 77.85 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-N 116.541 -0.3 . . . . 0.0 110.538 -179.677 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 77.0 tt0 . . . . . 0 N--CA 1.48 1.052 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 179.752 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 48.2 m . . . . . 0 N--CA 1.475 0.808 0 CA-C-O 120.677 0.275 . . . . 0.0 111.341 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 64.6 mm-40 -72.01 -35.46 69.44 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 122.495 0.318 . . . . 0.0 110.478 177.748 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 43.9 t -59.59 -50.05 75.38 Favored 'General case' 0 N--CA 1.479 0.99 0 CA-C-O 120.725 0.297 . . . . 0.0 110.909 -179.705 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 9.6 mp -62.82 -42.78 99.87 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 178.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.487 ' O ' ' N ' ' A' ' 13' ' ' GLY . 58.1 ttm-85 -59.7 -54.37 47.16 Favored 'General case' 0 C--N 1.352 0.708 0 C-N-CA 120.84 -0.344 . . . . 0.0 110.336 -179.39 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 53.52 -77.47 0.01 OUTLIER 'General case' 0 CA--C 1.545 0.779 0 O-C-N 124.254 0.971 . . . . 0.0 110.844 -179.602 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.487 ' N ' ' O ' ' A' ' 11' ' ' ARG . . . 78.12 16.89 79.11 Favored Glycine 0 N--CA 1.473 1.123 0 N-CA-C 110.632 -0.987 . . . . 0.0 110.632 179.416 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -76.61 -16.91 80.36 Favored Glycine 0 CA--C 1.531 1.033 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 179.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 95.47 -32.73 5.99 Favored Glycine 0 N--CA 1.48 1.611 0 N-CA-C 111.272 -0.731 . . . . 0.0 111.272 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 46.5 mtmt -119.72 127.43 52.84 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 123.301 0.64 . . . . 0.0 109.418 179.338 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.4 tp -153.3 136.43 15.61 Favored 'General case' 0 C--O 1.221 -0.418 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 -179.159 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 21.1 p30 -156.39 164.78 37.87 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 108.232 -1.025 . . . . 0.0 108.232 179.094 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 24.0 p90 -31.13 -40.22 0.03 OUTLIER 'General case' 0 N--CA 1.483 1.184 0 O-C-N 124.357 1.036 . . . . 0.0 113.119 -177.199 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -74.19 -45.81 46.08 Favored 'General case' 0 C--O 1.208 -1.086 0 CA-C-O 121.436 0.636 . . . . 0.0 112.453 -179.607 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 66.2 mm-40 -61.62 -44.84 96.24 Favored 'General case' 0 N--CA 1.484 1.244 0 CA-C-O 121.321 0.581 . . . . 0.0 111.922 -175.263 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.4 pp -75.42 -47.43 27.4 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 115.226 -0.897 . . . . 0.0 110.938 178.584 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 51.6 ttp180 -59.77 -50.29 74.38 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 112.294 0.479 . . . . 0.0 112.294 -176.404 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 40.1 mm-40 -57.71 -36.31 71.83 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.15 -0.932 . . . . 0.0 110.988 -176.798 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -71.97 -48.57 44.11 Favored 'General case' 0 N--CA 1.448 -0.56 0 O-C-N 123.9 0.75 . . . . 0.0 110.233 175.269 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 20.2 mt -63.96 -33.13 75.03 Favored 'General case' 0 N--CA 1.496 1.864 0 CA-C-N 114.88 -1.055 . . . . 0.0 111.785 -175.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -55.23 -46.26 76.0 Favored 'General case' 0 CA--C 1.555 1.143 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 178.029 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -60.28 -35.88 89.37 Favored Glycine 0 CA--C 1.54 1.645 0 CA-C-N 115.969 -0.559 . . . . 0.0 112.006 178.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -70.09 -0.07 7.04 Favored 'General case' 0 N--CA 1.479 1.007 0 CA-C-O 121.289 0.566 . . . . 0.0 111.122 -179.249 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 71.4 20.57 78.36 Favored Glycine 0 N--CA 1.469 0.864 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.421 177.656 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -66.97 162.69 21.42 Favored 'General case' 0 N--CA 1.472 0.666 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 58.0 p -91.04 158.6 16.59 Favored 'General case' 0 CA--C 1.503 -0.841 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.231 -176.435 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.489 ' O ' ' HG3' ' A' ' 37' ' ' GLU . 15.4 p-10 -62.9 -45.03 94.43 Favored 'General case' 0 C--O 1.213 -0.841 0 CA-C-N 116.596 -0.275 . . . . 0.0 110.503 -179.662 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.58 -46.49 86.84 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 120.629 -0.428 . . . . 0.0 110.684 -179.159 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 -66.45 -42.19 87.97 Favored 'General case' 0 N--CA 1.478 0.957 0 CA-C-O 120.72 0.295 . . . . 0.0 110.88 -176.678 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 65.2 mt -57.25 -48.02 83.14 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.579 0 N-CA-C 108.709 -0.848 . . . . 0.0 108.709 179.341 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.489 ' HG3' ' O ' ' A' ' 33' ' ' ASP . 96.3 mt-10 -55.29 -45.83 76.2 Favored 'General case' 0 CA--C 1.5 -0.957 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.802 -178.66 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.05 -45.28 94.25 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.426 -179.445 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.6 mp -63.26 -47.54 91.68 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.136 0 C-N-CA 119.282 -0.967 . . . . 0.0 111.348 -174.21 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -67.68 -44.6 77.39 Favored 'General case' 0 CA--C 1.512 -0.516 0 CA-C-O 121.513 0.673 . . . . 0.0 110.756 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 24.3 m -58.31 -46.36 86.29 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-N 114.887 -1.051 . . . . 0.0 111.404 -176.589 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -70.94 -48.69 52.1 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.483 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -72.28 -32.85 66.97 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 119.555 -0.858 . . . . 0.0 110.413 -176.207 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -109.58 111.58 23.15 Favored 'General case' 0 N--CA 1.48 1.055 0 N-CA-C 108.075 -1.083 . . . . 0.0 108.075 179.43 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.448 ' N ' ' NE2' ' A' ' 45' ' ' GLN . 0.8 OUTLIER -63.23 -50.98 68.1 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-O 119.254 -0.403 . . . . 0.0 111.363 -176.628 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 65.3 m-20 -106.36 -2.47 22.16 Favored 'General case' 0 N--CA 1.479 1.009 0 CA-C-N 118.347 0.521 . . . . 0.0 111.054 178.703 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 47.8 27.09 4.51 Favored Glycine 0 N--CA 1.481 1.676 0 C-N-CA 121.432 -0.413 . . . . 0.0 112.476 -178.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -117.64 -14.28 10.22 Favored 'General case' 0 N--CA 1.495 1.807 0 C-N-CA 123.52 0.728 . . . . 0.0 112.124 -178.168 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -125.82 171.25 10.84 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 123.17 0.588 . . . . 0.0 109.848 -177.469 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -75.69 147.95 39.01 Favored 'General case' 0 CA--C 1.517 -0.293 0 CA-C-N 115.005 -0.998 . . . . 0.0 108.491 179.493 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 34.3 tp -91.05 122.89 34.09 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-O 121.844 0.831 . . . . 0.0 110.69 -177.489 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.7 t -80.74 178.29 8.47 Favored 'General case' 0 CA--C 1.501 -0.925 0 CA-C-N 114.273 -1.33 . . . . 0.0 109.784 -178.178 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.423 ' O ' ' NE2' ' A' ' 57' ' ' GLN . 75.6 mm-40 -73.23 -52.2 14.94 Favored 'General case' 0 C--N 1.306 -1.283 0 CA-C-N 113.195 -1.821 . . . . 0.0 110.867 -177.122 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 58.8 t-80 -55.44 -50.29 70.22 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 120.175 -0.61 . . . . 0.0 109.69 -174.308 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 41.9 tp10 -61.48 -49.6 76.11 Favored 'General case' 0 CA--C 1.537 0.45 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 179.027 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 45.0 t60 -58.67 -54.03 51.64 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.485 -179.44 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.536 HE21 ' N ' ' A' ' 57' ' ' GLN . 0.0 OUTLIER -57.38 -36.58 71.43 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 121.024 -0.27 . . . . 0.0 111.006 -178.952 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 48.9 tt0 -64.73 -54.69 27.47 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 120.84 -0.344 . . . . 0.0 110.559 -178.678 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 34.0 mmt -63.15 -34.7 78.2 Favored 'General case' 0 C--N 1.351 0.644 0 CA-C-O 120.838 0.351 . . . . 0.0 110.371 -179.756 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.437 HH11 ' NH1' ' A' ' 11' ' ' ARG . 60.5 ttp180 -59.86 -48.53 81.32 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.775 -178.305 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 75.0 m-20 -61.75 -37.76 85.44 Favored 'General case' 0 N--CA 1.466 0.374 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -65.7 -40.38 92.22 Favored 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 178.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 6.4 tp -59.8 -49.82 76.21 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.262 -178.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.7 tp10 -57.78 -44.67 86.41 Favored 'General case' 0 CA--C 1.549 0.926 0 CA-C-O 120.932 0.396 . . . . 0.0 110.185 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -63.06 -46.52 87.09 Favored 'General case' 0 N--CA 1.479 0.983 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.32 179.279 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 69.0 mt-10 -65.19 -45.91 82.9 Favored 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 179.657 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 73.2 mtt-85 -46.22 -25.78 0.67 Allowed 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 122.281 0.232 . . . . 0.0 111.227 179.572 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 72.2 tt0 . . . . . 0 CA--C 1.541 0.608 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 178.914 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 59.7 m . . . . . 0 N--CA 1.473 0.685 0 CA-C-O 120.261 0.076 . . . . 0.0 110.854 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 76.0 tt0 -71.11 -37.14 72.35 Favored 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 179.464 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 79.3 p -59.89 -51.5 69.42 Favored 'General case' 0 N--CA 1.478 0.93 0 CA-C-N 116.67 -0.241 . . . . 0.0 111.082 -179.335 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 23.1 mt -63.78 -41.28 97.97 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 122.617 0.367 . . . . 0.0 110.766 179.413 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.453 ' O ' ' N ' ' A' ' 13' ' ' GLY . 41.1 ttm180 -60.5 -53.13 61.29 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 116.132 -0.485 . . . . 0.0 109.838 179.836 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 59.07 -74.22 0.02 OUTLIER 'General case' 0 CA--C 1.544 0.749 0 O-C-N 124.436 1.085 . . . . 0.0 110.137 -179.584 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 11' ' ' ARG . . . 116.14 -19.7 13.27 Favored Glycine 0 N--CA 1.48 1.611 0 C-N-CA 124.57 1.081 . . . . 0.0 110.6 178.82 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -69.68 -46.28 54.92 Favored Glycine 0 N--CA 1.47 0.936 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 179.091 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 106.96 -60.34 0.35 Allowed Glycine 0 N--CA 1.482 1.756 0 N-CA-C 110.51 -1.036 . . . . 0.0 110.51 -179.602 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 57.2 mtpt -65.59 129.0 38.22 Favored 'General case' 0 N--CA 1.473 0.715 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.5 mt -154.56 133.47 12.29 Favored 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 -178.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.419 ' O ' ' N ' ' A' ' 21' ' ' GLU . 12.9 t-20 -119.51 139.18 52.51 Favored 'General case' 0 N--CA 1.447 -0.623 0 C-N-CA 124.484 1.114 . . . . 0.0 108.701 178.885 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.415 ' CD1' ' ND2' ' A' ' 18' ' ' ASN . 53.8 p90 -31.37 -39.46 0.03 OUTLIER 'General case' 0 C--O 1.206 -1.197 0 C-N-CA 124.02 0.928 . . . . 0.0 112.309 -177.258 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -72.68 -45.53 58.39 Favored 'General case' 0 N--CA 1.481 1.123 0 CA-C-O 121.042 0.449 . . . . 0.0 111.687 178.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.419 ' N ' ' O ' ' A' ' 18' ' ' ASN . 62.0 mm-40 -59.67 -47.21 86.53 Favored 'General case' 0 N--CA 1.486 1.33 0 N-CA-C 113.03 0.752 . . . . 0.0 113.03 -176.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.7 pp -75.63 -46.87 29.1 Favored 'General case' 0 CA--C 1.549 0.91 0 CA-C-N 115.549 -0.751 . . . . 0.0 111.75 178.209 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.6 tmt_? -59.89 -50.37 74.04 Favored 'General case' 0 N--CA 1.486 1.374 0 CA-C-O 120.907 0.384 . . . . 0.0 111.718 -176.487 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 20.0 mm-40 -59.11 -34.79 72.43 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.958 -178.067 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -70.8 -47.75 57.82 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 109.271 -0.641 . . . . 0.0 109.271 176.075 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 55.2 mt -61.51 -32.28 72.32 Favored 'General case' 0 N--CA 1.497 1.9 0 CA-C-N 115.485 -0.78 . . . . 0.0 112.007 -177.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.6 ttpp -55.19 -45.33 75.84 Favored 'General case' 0 CA--C 1.557 1.212 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 178.319 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -60.83 -35.17 89.65 Favored Glycine 0 CA--C 1.538 1.494 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.885 179.17 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -70.41 -0.05 7.52 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 123.008 0.523 . . . . 0.0 111.235 -179.337 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 71.71 19.91 78.29 Favored Glycine 0 N--CA 1.468 0.806 0 CA-C-N 115.397 -0.82 . . . . 0.0 111.676 177.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -66.4 162.32 20.71 Favored 'General case' 0 N--CA 1.475 0.818 0 CA-C-N 117.652 0.726 . . . . 0.0 109.826 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 57.8 p -91.51 162.31 14.6 Favored 'General case' 0 CA--C 1.507 -0.708 0 CA-C-N 115.238 -0.892 . . . . 0.0 109.767 -176.206 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -61.21 -42.05 97.91 Favored 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 109.724 -0.472 . . . . 0.0 109.724 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.28 -47.03 86.91 Favored 'General case' 0 C--N 1.352 0.684 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 74.3 mt-10 -67.77 -48.07 67.41 Favored 'General case' 0 N--CA 1.473 0.691 0 O-C-N 121.584 -0.697 . . . . 0.0 110.174 -178.158 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 83.8 mt -58.46 -50.71 77.84 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.942 0 CA-C-N 115.571 -0.74 . . . . 0.0 111.073 -177.373 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -63.38 -43.53 97.32 Favored 'General case' 0 C--N 1.355 0.81 0 CA-C-O 121.377 0.608 . . . . 0.0 111.604 -177.515 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.66 -45.14 91.48 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 115.196 -0.911 . . . . 0.0 111.708 -179.009 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.2 mp -61.79 -46.9 95.53 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.998 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.953 -174.217 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -67.97 -43.5 78.85 Favored 'General case' 0 CA--C 1.509 -0.602 0 CA-C-O 122.056 0.931 . . . . 0.0 110.359 -179.777 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 23.9 m -60.27 -45.58 92.79 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-N 113.682 -1.599 . . . . 0.0 111.29 -176.703 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -67.38 -49.89 61.97 Favored 'General case' 0 N--CA 1.443 -0.806 0 C-N-CA 119.955 -0.698 . . . . 0.0 110.729 -178.187 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -73.67 -31.52 63.5 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 120.986 -0.286 . . . . 0.0 110.969 -177.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -109.02 103.75 12.83 Favored 'General case' 0 N--CA 1.486 1.358 0 N-CA-C 107.46 -1.311 . . . . 0.0 107.46 179.125 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.452 ' N ' ' NE2' ' A' ' 45' ' ' GLN . 0.9 OUTLIER -59.35 -50.29 74.55 Favored 'General case' 0 CA--C 1.549 0.928 0 CA-C-N 115.728 -0.669 . . . . 0.0 112.133 -175.755 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -104.72 -0.32 27.52 Favored 'General case' 0 N--CA 1.489 1.491 0 CA-C-N 119.044 0.838 . . . . 0.0 111.751 -179.109 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.58 20.29 59.04 Favored Glycine 0 N--CA 1.471 0.993 0 N-CA-C 112.188 -0.365 . . . . 0.0 112.188 -177.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -120.54 -12.97 8.84 Favored 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 123.825 0.85 . . . . 0.0 111.811 178.418 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -109.47 140.67 42.93 Favored 'General case' 0 N--CA 1.491 1.587 0 CA-C-O 121.277 0.56 . . . . 0.0 112.288 -175.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -76.05 148.59 37.87 Favored 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 124.785 1.234 . . . . 0.0 108.059 177.519 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -90.42 118.11 29.65 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-O 121.945 0.878 . . . . 0.0 110.163 -176.75 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.3 t -80.18 -178.34 6.52 Favored 'General case' 0 CA--C 1.487 -1.458 0 CA-C-N 114.454 -1.248 . . . . 0.0 108.481 -176.501 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.404 ' O ' ' NE2' ' A' ' 57' ' ' GLN . 72.7 mt-10 -61.52 -62.44 1.81 Allowed 'General case' 0 C--N 1.308 -1.205 0 CA-C-N 114.277 -1.328 . . . . 0.0 111.37 -177.872 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 82.7 t60 -55.35 -50.33 69.95 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 119.91 -0.716 . . . . 0.0 110.783 -174.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 40.7 tp10 -61.54 -45.25 94.95 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 118.326 0.512 . . . . 0.0 110.58 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 54.1 t-80 -63.57 -47.57 80.96 Favored 'General case' 0 CA--C 1.545 0.775 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.638 178.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.561 HE21 ' N ' ' A' ' 57' ' ' GLN . 0.0 OUTLIER -64.61 -34.93 79.42 Favored 'General case' 0 CA--C 1.56 1.344 0 O-C-N 121.629 -0.669 . . . . 0.0 111.173 -179.778 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 72.3 mt-30 -63.13 -55.04 28.64 Favored 'General case' 0 N--CA 1.49 1.542 0 CA-C-N 118.338 0.517 . . . . 0.0 111.295 -179.091 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.72 -34.47 77.24 Favored 'General case' 0 C--N 1.351 0.672 0 O-C-N 122.039 -0.413 . . . . 0.0 110.424 -179.82 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 58.7 ttp180 -58.7 -48.02 82.55 Favored 'General case' 0 C--N 1.359 0.988 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 -178.61 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -60.09 -36.05 76.56 Favored 'General case' 0 C--N 1.341 0.211 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 179.374 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -69.66 -39.2 77.19 Favored 'General case' 0 C--N 1.35 0.609 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.321 179.602 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.3 tp -59.07 -50.29 74.65 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.808 -179.198 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 41.1 tp10 -58.75 -45.38 89.85 Favored 'General case' 0 CA--C 1.549 0.916 0 CA-C-O 120.595 0.236 . . . . 0.0 110.619 -179.791 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -63.8 -45.67 88.6 Favored 'General case' 0 N--CA 1.476 0.867 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.796 179.226 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 62.7 mm-40 -65.16 -50.76 64.74 Favored 'General case' 0 N--CA 1.476 0.827 0 N-CA-C 109.894 -0.41 . . . . 0.0 109.894 -179.682 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 64.9 mtp85 -52.16 -42.89 63.78 Favored 'General case' 0 N--CA 1.477 0.918 0 CA-C-N 116.958 -0.11 . . . . 0.0 110.744 179.757 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 . . . . . 0 N--CA 1.48 1.056 0 N-CA-C 110.076 -0.342 . . . . 0.0 110.076 179.0 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 68.1 m . . . . . 0 N--CA 1.474 0.726 0 CA-C-O 120.632 0.253 . . . . 0.0 110.717 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 78.8 tt0 -69.16 -39.69 78.63 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.996 179.352 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 47.4 t -61.27 -45.79 93.05 Favored 'General case' 0 N--CA 1.477 0.903 0 CA-C-O 120.782 0.325 . . . . 0.0 111.225 -179.309 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 33.4 mt -62.3 -43.8 97.99 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.012 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.532 ' O ' ' N ' ' A' ' 13' ' ' GLY . 70.8 ttt-85 -72.01 -55.0 8.19 Favored 'General case' 0 C--O 1.216 -0.658 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 -179.587 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 9.8 tp-100 51.39 -77.46 0.01 OUTLIER 'General case' 0 CA--C 1.553 1.095 0 CA-C-N 115.921 -0.582 . . . . 0.0 111.065 -179.119 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.532 ' N ' ' O ' ' A' ' 11' ' ' ARG . . . 87.4 17.14 59.3 Favored Glycine 0 N--CA 1.472 1.043 0 N-CA-C 110.416 -1.074 . . . . 0.0 110.416 179.704 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -74.3 -23.49 75.6 Favored Glycine 0 N--CA 1.474 1.169 0 N-CA-C 111.156 -0.777 . . . . 0.0 111.156 179.536 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 93.48 -73.02 1.26 Allowed Glycine 0 N--CA 1.477 1.381 0 N-CA-C 110.604 -0.998 . . . . 0.0 110.604 -179.561 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 28.7 mtmm -71.85 116.58 12.41 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 179.581 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.4 mt -153.05 134.51 14.36 Favored 'General case' 0 C--O 1.213 -0.85 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 -177.686 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.437 ' O ' ' N ' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -133.7 142.97 48.23 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 106.994 -1.484 . . . . 0.0 106.994 179.652 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 49.0 p90 -33.36 -31.31 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 124.119 0.968 . . . . 0.0 113.221 -179.55 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -72.47 -44.88 61.7 Favored 'General case' 0 C--O 1.214 -0.765 0 N-CA-C 109.06 -0.718 . . . . 0.0 109.06 -178.7 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 18' ' ' ASN . 71.8 mm-40 -59.12 -40.39 85.24 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 115.119 -0.946 . . . . 0.0 109.343 -179.581 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 66.5 mt -74.29 -47.67 33.31 Favored 'General case' 0 CA--C 1.498 -1.041 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.481 178.18 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 32.0 ttm180 -62.79 -53.83 48.25 Favored 'General case' 0 C--N 1.317 -0.813 0 C-N-CA 119.444 -0.902 . . . . 0.0 110.952 -177.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -60.29 -39.65 87.65 Favored 'General case' 0 CA--C 1.501 -0.924 0 CA-C-N 115.094 -0.957 . . . . 0.0 112.001 -176.329 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -71.23 -48.71 49.65 Favored 'General case' 0 N--CA 1.444 -0.745 0 CA-C-O 121.298 0.57 . . . . 0.0 110.332 176.086 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 44.1 mt -64.4 -32.14 73.64 Favored 'General case' 0 N--CA 1.497 1.886 0 CA-C-N 114.597 -1.183 . . . . 0.0 112.221 -176.597 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.8 ttpt -55.3 -44.62 75.92 Favored 'General case' 0 CA--C 1.562 1.441 0 C-N-CA 119.785 -0.766 . . . . 0.0 110.031 178.025 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -61.18 -30.82 74.84 Favored Glycine 0 CA--C 1.536 1.4 0 CA-C-N 116.18 -0.464 . . . . 0.0 112.436 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -70.79 3.23 3.38 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 122.955 0.502 . . . . 0.0 111.643 -178.419 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 71.23 19.1 77.17 Favored Glycine 0 N--CA 1.468 0.822 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 177.109 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -69.97 162.18 28.59 Favored 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 179.632 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 71.8 p -88.79 158.39 18.17 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.536 -176.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -59.51 -44.65 93.09 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 116.727 -0.215 . . . . 0.0 110.593 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.01 -46.41 88.27 Favored 'General case' 0 N--CA 1.473 0.72 0 O-C-N 123.762 0.664 . . . . 0.0 110.021 -179.71 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 69.8 mm-40 -70.02 -43.83 70.53 Favored 'General case' 0 N--CA 1.467 0.382 0 O-C-N 121.666 -0.646 . . . . 0.0 110.767 -177.717 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 85.3 mt -60.52 -50.6 79.74 Favored 'Isoleucine or valine' 0 C--O 1.243 0.734 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.153 -177.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.419 ' O ' ' CD2' ' A' ' 40' ' ' PHE . 11.2 pt-20 -62.73 -42.45 99.67 Favored 'General case' 0 C--N 1.349 0.575 0 CA-C-O 121.766 0.794 . . . . 0.0 111.527 -176.588 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.61 -43.44 93.76 Favored 'General case' 0 C--O 1.222 -0.356 0 CA-C-N 114.69 -1.141 . . . . 0.0 111.367 -178.762 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.1 mp -61.74 -46.85 95.64 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.079 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.595 -173.138 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.419 ' CD2' ' O ' ' A' ' 37' ' ' GLU . 0.5 OUTLIER -66.98 -39.99 87.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.981 0.896 . . . . 0.0 110.39 -178.933 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 52.6 m -59.99 -44.21 94.67 Favored 'General case' 0 CA--C 1.513 -0.45 0 CA-C-N 113.641 -1.618 . . . . 0.0 111.692 -176.036 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -67.68 -49.11 64.45 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 120.281 -0.567 . . . . 0.0 110.197 -179.383 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.44 ' CD1' ' SD ' ' A' ' 59' ' ' MET . 14.6 m-85 -72.55 -32.2 65.89 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 119.971 -0.692 . . . . 0.0 111.408 -177.193 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -106.49 108.18 19.56 Favored 'General case' 0 N--CA 1.481 1.116 0 N-CA-C 106.796 -1.557 . . . . 0.0 106.796 178.523 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.472 ' N ' ' NE2' ' A' ' 45' ' ' GLN . 0.7 OUTLIER -60.95 -51.48 69.09 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 112.326 0.491 . . . . 0.0 112.326 -175.937 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 59.9 m-20 -106.28 -2.31 22.49 Favored 'General case' 0 N--CA 1.477 0.915 0 CA-C-N 118.805 0.729 . . . . 0.0 110.665 178.505 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 53.02 25.54 24.54 Favored Glycine 0 N--CA 1.481 1.691 0 C-N-CA 120.977 -0.63 . . . . 0.0 111.751 -178.679 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 64.2 m-20 -117.7 -12.56 10.26 Favored 'General case' 0 N--CA 1.492 1.637 0 C-N-CA 123.479 0.712 . . . . 0.0 111.98 -178.308 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.1 pm0 -125.81 163.53 22.69 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 123.66 0.784 . . . . 0.0 110.461 -178.24 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 73.4 mt-10 -76.1 148.5 37.84 Favored 'General case' 0 N--CA 1.444 -0.731 0 CA-C-N 114.48 -1.236 . . . . 0.0 108.368 178.745 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 32.1 tp -91.03 120.44 32.02 Favored 'General case' 0 CA--C 1.536 0.415 0 O-C-N 123.616 0.572 . . . . 0.0 109.561 -177.486 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.4 t -79.5 -179.73 7.0 Favored 'General case' 0 CA--C 1.481 -1.688 0 CA-C-N 115.063 -0.971 . . . . 0.0 109.316 -177.169 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.496 ' O ' ' NE2' ' A' ' 57' ' ' GLN . 62.0 mt-10 -73.88 -54.04 8.85 Favored 'General case' 0 N--CA 1.428 -1.548 0 CA-C-N 113.225 -1.807 . . . . 0.0 110.231 -176.454 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -53.29 -49.89 66.04 Favored 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 120.23 -0.588 . . . . 0.0 109.672 -174.659 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 39.8 tp10 -62.21 -44.13 97.26 Favored 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 178.466 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.424 ' NE2' ' O ' ' A' ' 11' ' ' ARG . 29.1 t-80 -59.31 -49.25 78.56 Favored 'General case' 0 C--N 1.355 0.828 0 O-C-N 123.526 0.516 . . . . 0.0 110.067 -179.741 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.496 ' NE2' ' O ' ' A' ' 53' ' ' GLU . 1.4 mp0 -57.75 -34.48 69.58 Favored 'General case' 0 N--CA 1.481 1.078 0 O-C-N 121.808 -0.557 . . . . 0.0 111.342 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 55.6 tt0 -64.67 -55.7 18.47 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 120.543 -0.463 . . . . 0.0 110.873 -178.261 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.44 ' SD ' ' CD1' ' A' ' 43' ' ' TYR . 11.8 ptm -59.11 -35.09 72.83 Favored 'General case' 0 C--N 1.348 0.525 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 179.3 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 58.5 ttp180 -58.51 -48.75 79.8 Favored 'General case' 0 C--N 1.362 1.126 0 C-N-CA 120.181 -0.608 . . . . 0.0 109.73 -175.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 74.0 m-20 -60.62 -35.5 76.32 Favored 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 179.385 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 51.3 m-20 -69.93 -36.66 75.5 Favored 'General case' 0 C--N 1.346 0.456 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 179.209 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 6.9 tp -60.56 -49.04 79.14 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.218 -179.096 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 90.9 mt-10 -57.73 -44.12 85.78 Favored 'General case' 0 CA--C 1.547 0.854 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 178.707 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -60.57 -43.32 97.43 Favored 'General case' 0 N--CA 1.483 1.19 0 CA-C-O 120.877 0.37 . . . . 0.0 110.949 179.597 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 65.6 mt-10 -58.31 -34.82 70.99 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 51.3 ttt85 -53.66 -43.17 68.62 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.339 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 . . . . . 0 N--CA 1.471 0.62 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.696 179.362 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 88.6 p . . . . . 0 N--CA 1.475 0.78 0 N-CA-C 110.717 -0.105 . . . . 0.0 110.717 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 42.3 tp10 -60.95 -40.18 92.33 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 110.169 -0.308 . . . . 0.0 110.169 -178.609 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 49.5 m -58.47 -50.03 75.22 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-O 120.933 0.397 . . . . 0.0 110.193 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 77.8 mt -65.55 -38.05 88.45 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.344 178.753 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 34.9 ttm180 -58.23 -26.03 62.4 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.268 -179.19 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 68.4 tp60 -45.95 -66.57 0.38 Allowed 'General case' 0 CA--C 1.543 0.68 0 O-C-N 123.556 0.535 . . . . 0.0 110.77 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 65.66 18.33 65.85 Favored Glycine 0 C--N 1.339 0.698 0 N-CA-C 110.682 -0.967 . . . . 0.0 110.682 178.604 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -53.58 -12.69 2.51 Favored Glycine 0 CA--C 1.531 1.032 0 N-CA-C 111.974 -0.45 . . . . 0.0 111.974 -179.71 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 99.74 -72.75 0.48 Allowed Glycine 0 N--CA 1.475 1.261 0 N-CA-C 110.54 -1.024 . . . . 0.0 110.54 179.425 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 60.1 mmtt -72.44 107.81 5.19 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 179.44 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 12.8 mt -149.69 134.18 17.5 Favored 'General case' 0 C--O 1.22 -0.469 0 O-C-N 124.039 0.837 . . . . 0.0 109.14 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.454 ' O ' ' N ' ' A' ' 21' ' ' GLU . 12.2 t30 -133.07 142.96 49.03 Favored 'General case' 0 C--O 1.218 -0.562 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 178.221 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 47.6 p90 -33.59 -30.67 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 123.896 0.878 . . . . 0.0 113.071 -179.132 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.421 ' H ' ' ND2' ' A' ' 18' ' ' ASN . 36.4 t70 -72.31 -45.67 58.98 Favored 'General case' 0 C--O 1.211 -0.938 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.504 -179.539 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 18' ' ' ASN . 69.7 mm-40 -59.29 -37.84 78.69 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 115.648 -0.706 . . . . 0.0 109.385 -179.687 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 64.4 mt -74.91 -48.54 24.11 Favored 'General case' 0 CA--C 1.498 -1.054 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.394 178.003 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 37.1 ttp180 -61.33 -52.18 65.76 Favored 'General case' 0 C--N 1.315 -0.915 0 C-N-CA 119.843 -0.743 . . . . 0.0 111.021 -179.094 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 45.4 mm-40 -58.03 -39.26 77.94 Favored 'General case' 0 CA--C 1.501 -0.91 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.681 -176.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -72.37 -49.02 37.11 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-O 121.015 0.435 . . . . 0.0 111.078 175.175 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 46.0 mt -63.7 -31.98 73.33 Favored 'General case' 0 N--CA 1.497 1.92 0 CA-C-N 115.082 -0.963 . . . . 0.0 112.028 -177.116 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.5 ttpt -54.79 -44.81 74.07 Favored 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 120.045 -0.662 . . . . 0.0 109.962 178.503 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.406 ' C ' ' H ' ' A' ' 30' ' ' GLY . . . -63.01 -33.26 86.75 Favored Glycine 0 N--CA 1.472 1.037 0 N-CA-C 111.804 -0.519 . . . . 0.0 111.804 179.738 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -70.29 3.47 2.88 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 122.813 0.445 . . . . 0.0 111.599 -178.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.406 ' H ' ' C ' ' A' ' 28' ' ' GLY . . . 70.8 19.35 76.72 Favored Glycine 0 N--CA 1.467 0.707 0 N-CA-C 110.799 -0.92 . . . . 0.0 110.799 176.722 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -68.27 162.32 25.35 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 69.9 p -91.1 159.02 16.32 Favored 'General case' 0 CA--C 1.506 -0.727 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.814 -177.52 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 17.6 p-10 -60.79 -44.44 96.82 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.427 179.798 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.08 -46.66 87.7 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 123.789 0.68 . . . . 0.0 109.85 -178.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 67.8 mm-40 -68.48 -42.44 78.68 Favored 'General case' 0 N--CA 1.469 0.501 0 O-C-N 121.72 -0.613 . . . . 0.0 110.58 -178.17 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 51.9 mt -59.9 -50.83 78.6 Favored 'Isoleucine or valine' 0 C--O 1.239 0.517 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.107 -178.037 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -63.72 -41.78 98.02 Favored 'General case' 0 C--N 1.346 0.427 0 CA-C-O 121.482 0.658 . . . . 0.0 111.933 -176.094 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.31 -45.66 83.44 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 114.883 -1.053 . . . . 0.0 111.795 -177.48 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.3 mp -62.24 -46.87 95.43 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.477 0 C-N-CA 119.948 -0.701 . . . . 0.0 111.29 -173.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -66.91 -41.39 87.17 Favored 'General case' 0 C--O 1.212 -0.912 0 CA-C-O 121.612 0.72 . . . . 0.0 109.864 -178.682 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 7.1 m -58.26 -41.9 85.25 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 114.498 -1.228 . . . . 0.0 110.406 -175.467 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 26.0 mmtp -67.31 -48.86 66.36 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.097 -179.282 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 -72.14 -32.19 66.69 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 119.892 -0.723 . . . . 0.0 109.949 -177.603 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -108.4 108.17 19.03 Favored 'General case' 0 N--CA 1.486 1.374 0 N-CA-C 109.894 -0.41 . . . . 0.0 109.894 -179.419 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.484 ' N ' ' NE2' ' A' ' 45' ' ' GLN . 1.1 mp0 -63.22 -50.6 69.59 Favored 'General case' 0 C--O 1.238 0.497 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.611 -177.237 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 61.9 m-20 -105.04 -2.04 24.92 Favored 'General case' 0 N--CA 1.478 0.973 0 CA-C-N 118.301 0.5 . . . . 0.0 111.559 -179.558 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 51.37 22.67 7.71 Favored Glycine 0 N--CA 1.476 1.362 0 C-N-CA 121.067 -0.587 . . . . 0.0 112.645 -179.681 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -118.15 -14.35 9.9 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 122.788 0.435 . . . . 0.0 111.747 -178.325 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -122.77 167.97 12.83 Favored 'General case' 0 N--CA 1.477 0.904 0 CA-C-O 121.557 0.694 . . . . 0.0 110.56 -177.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -75.4 149.83 38.49 Favored 'General case' 0 CA--C 1.519 -0.212 0 C-N-CA 125.018 1.327 . . . . 0.0 109.496 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 95.7 mt -88.9 120.16 30.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.662 0.744 . . . . 0.0 110.936 -176.036 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.433 ' CG2' ' H ' ' A' ' 53' ' ' GLU . 63.8 m -79.12 168.62 19.37 Favored 'General case' 0 N--CA 1.438 -1.042 0 CA-C-N 114.241 -1.345 . . . . 0.0 107.986 -177.363 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.433 ' H ' ' CG2' ' A' ' 52' ' ' THR . 87.6 mt-10 -70.04 -52.05 27.15 Favored 'General case' 0 C--O 1.208 -1.125 0 CA-C-N 113.751 -1.568 . . . . 0.0 110.324 -178.776 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -54.13 -50.26 67.32 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 119.889 -0.725 . . . . 0.0 109.678 -173.647 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 44.0 tp10 -62.68 -51.52 66.89 Favored 'General case' 0 C--O 1.222 -0.352 0 CA-C-O 120.769 0.319 . . . . 0.0 110.292 178.644 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 36.7 t-80 -58.36 -51.75 68.48 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.503 -178.192 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -58.08 -34.56 70.28 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 121.064 -0.254 . . . . 0.0 111.239 -179.804 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 48.4 tt0 -66.89 -54.37 22.92 Favored 'General case' 0 CA--C 1.538 0.515 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 -179.557 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 36.0 mmt -62.4 -34.72 77.28 Favored 'General case' 0 C--N 1.351 0.645 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 179.638 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 72.4 ttt180 -58.48 -48.1 81.89 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 119.542 -0.863 . . . . 0.0 110.091 -178.245 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -60.07 -41.93 93.44 Favored 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 179.422 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -62.8 -39.37 94.06 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 115.422 -0.808 . . . . 0.0 109.382 178.346 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.75 -47.61 84.45 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.453 -177.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 75.3 tt0 -57.32 -43.8 83.61 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-O 121.11 0.481 . . . . 0.0 110.088 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -62.52 -41.82 99.11 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.469 179.38 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 91.3 mt-10 -62.57 -48.48 79.3 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 110.129 -0.322 . . . . 0.0 110.129 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 86.0 mtm180 -53.61 -42.52 67.8 Favored 'General case' 0 N--CA 1.475 0.797 0 O-C-N 123.036 0.21 . . . . 0.0 110.785 -179.096 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 74.3 tt0 . . . . . 0 CA--C 1.541 0.61 0 C-N-CA 120.893 -0.323 . . . . 0.0 110.408 -179.886 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 51.9 t30 . . . . . 0 N--CA 1.488 1.433 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 20.1 m -61.51 -46.4 90.15 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.82 -179.51 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 27.0 m -60.96 -24.7 33.68 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.46 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.223 179.634 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 16.4 t70 55.12 90.83 0.03 OUTLIER 'General case' 0 CA--C 1.54 0.596 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.692 -179.213 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -68.57 89.63 0.37 Allowed 'General case' 0 N--CA 1.469 0.523 0 CA-C-O 121.026 0.441 . . . . 0.0 110.082 -179.014 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 18.0 tt -64.24 -22.03 30.27 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.32 179.615 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 36.2 t -50.48 -23.03 2.19 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.431 -179.597 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 74.5 mm-40 -67.45 -46.67 72.38 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 115.969 -0.559 . . . . 0.0 109.912 178.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 85.3 p -62.4 -42.56 99.52 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-O 120.99 0.424 . . . . 0.0 110.692 179.582 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 45.1 mt -65.18 -37.4 87.22 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.697 -179.129 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 79.6 ttt180 -59.27 -44.01 92.47 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 116.125 -0.488 . . . . 0.0 109.974 -179.63 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 98.2 mm-40 -58.78 152.49 18.92 Favored 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 179.324 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 144.62 18.95 0.19 Allowed Glycine 0 N--CA 1.475 1.28 0 N-CA-C 110.391 -1.084 . . . . 0.0 110.391 -178.379 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -67.13 59.35 0.24 Allowed Glycine 0 N--CA 1.472 1.088 0 N-CA-C 111.357 -0.697 . . . . 0.0 111.357 -179.482 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 63.65 -73.36 0.04 OUTLIER Glycine 0 C--N 1.337 0.637 0 N-CA-C 111.597 -0.601 . . . . 0.0 111.597 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 56.7 mtpt -82.58 107.57 15.32 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.9 tp -150.46 136.5 18.5 Favored 'General case' 0 C--O 1.224 -0.285 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 178.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.413 ' ND2' ' N ' ' A' ' 18' ' ' ASN . 0.1 OUTLIER -149.43 156.45 42.04 Favored 'General case' 0 CA--C 1.511 -0.553 0 N-CA-C 108.385 -0.968 . . . . 0.0 108.385 -179.694 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 44.0 p90 -31.27 -36.2 0.01 OUTLIER 'General case' 0 C--O 1.206 -1.192 0 O-C-N 124.945 1.403 . . . . 0.0 112.593 -177.358 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -71.71 -45.87 60.44 Favored 'General case' 0 N--CA 1.482 1.134 0 CA-C-O 121.719 0.771 . . . . 0.0 112.579 179.457 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 65.4 mm-40 -61.51 -45.93 92.13 Favored 'General case' 0 N--CA 1.483 1.223 0 N-CA-C 112.543 0.571 . . . . 0.0 112.543 -177.431 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.6 pp -76.5 -46.89 24.72 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 115.233 -0.894 . . . . 0.0 112.406 178.162 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.9 tmm_? -60.4 -49.41 77.7 Favored 'General case' 0 N--CA 1.495 1.797 0 C-N-CA 120.619 -0.432 . . . . 0.0 111.678 -175.695 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -59.17 -34.61 72.32 Favored 'General case' 0 CA--C 1.504 -0.793 0 CA-C-N 116.192 -0.458 . . . . 0.0 112.131 -178.63 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -71.49 -47.83 53.01 Favored 'General case' 0 N--CA 1.447 -0.595 0 CA-C-O 121.621 0.724 . . . . 0.0 110.409 176.375 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 60.7 mt -63.82 -31.8 73.09 Favored 'General case' 0 N--CA 1.498 1.973 0 CA-C-N 114.971 -1.013 . . . . 0.0 111.899 -176.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.4 ttpt -55.12 -43.88 74.51 Favored 'General case' 0 CA--C 1.549 0.933 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.786 178.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -63.2 -34.76 90.84 Favored Glycine 0 N--CA 1.474 1.207 0 N-CA-C 111.274 -0.73 . . . . 0.0 111.274 179.441 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -70.69 2.48 4.09 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 122.962 0.505 . . . . 0.0 111.517 -179.135 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 72.15 19.7 78.69 Favored Glycine 0 N--CA 1.46 0.272 0 CA-C-N 115.703 -0.681 . . . . 0.0 111.639 177.283 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -66.82 162.35 21.77 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 117.964 0.882 . . . . 0.0 110.181 -179.732 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 72.9 p -90.99 158.51 16.66 Favored 'General case' 0 CA--C 1.502 -0.89 0 CA-C-N 115.716 -0.675 . . . . 0.0 109.516 -176.398 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.457 ' O ' ' HG3' ' A' ' 37' ' ' GLU . 72.2 m-20 -63.29 -44.92 93.66 Favored 'General case' 0 C--O 1.212 -0.897 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 -179.825 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.18 -46.15 86.28 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 120.43 -0.508 . . . . 0.0 110.453 -179.134 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 65.2 mm-40 -65.64 -46.16 80.24 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-O 121.366 0.603 . . . . 0.0 110.475 -177.266 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 64.7 mt -56.85 -48.58 81.03 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.856 0 CA-C-N 114.673 -1.148 . . . . 0.0 108.65 -179.037 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.457 ' HG3' ' O ' ' A' ' 33' ' ' ASP . 77.1 mt-10 -59.56 -48.6 81.04 Favored 'General case' 0 CA--C 1.501 -0.916 0 C-N-CA 122.945 0.498 . . . . 0.0 111.592 -179.482 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.6 -44.78 95.44 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.964 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.4 mp -62.32 -47.86 91.05 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.946 0 C-N-CA 118.923 -1.111 . . . . 0.0 112.752 -174.676 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -67.74 -43.78 79.09 Favored 'General case' 0 CA--C 1.501 -0.936 0 CA-C-O 121.393 0.615 . . . . 0.0 110.198 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 26.9 m -58.02 -44.98 87.63 Favored 'General case' 0 C--N 1.347 0.471 0 CA-C-N 114.385 -1.279 . . . . 0.0 111.357 -176.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -64.78 -50.25 67.51 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 120.652 -0.419 . . . . 0.0 110.542 -179.667 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 36.6 m-85 -72.06 -33.01 67.6 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 119.022 -1.071 . . . . 0.0 110.175 -178.455 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -103.17 100.53 10.45 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 122.742 0.417 . . . . 0.0 110.439 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 34.6 mm-40 -63.24 -52.33 62.57 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-O 118.778 -0.63 . . . . 0.0 111.601 -176.525 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -106.94 -2.77 20.9 Favored 'General case' 0 C--N 1.364 1.237 0 CA-C-N 119.343 0.974 . . . . 0.0 111.611 177.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 39.91 42.8 2.3 Favored Glycine 0 N--CA 1.496 2.692 0 CA-C-N 117.717 0.235 . . . . 0.0 113.602 -178.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -115.57 -23.4 8.78 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 123.484 0.714 . . . . 0.0 111.627 -178.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.432 ' H ' ' NE2' ' A' ' 49' ' ' GLN . 2.5 pm0 -127.88 174.51 9.09 Favored 'General case' 0 N--CA 1.486 1.328 0 CA-C-O 121.441 0.639 . . . . 0.0 110.731 -178.352 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 19.8 mp0 -76.18 147.3 38.54 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 114.799 -1.091 . . . . 0.0 109.377 179.611 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -91.67 118.91 31.07 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.592 -177.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.0 t -79.75 -178.48 6.42 Favored 'General case' 0 N--CA 1.426 -1.668 0 CA-C-N 114.437 -1.256 . . . . 0.0 108.437 -175.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 92.3 mt-10 -69.44 -58.51 3.9 Favored 'General case' 0 C--N 1.299 -1.593 0 CA-C-N 113.058 -1.883 . . . . 0.0 111.633 -178.133 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 94.5 m-70 -56.88 -50.71 71.68 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 120.319 -0.553 . . . . 0.0 110.901 -174.503 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -60.22 -50.76 72.4 Favored 'General case' 0 C--N 1.343 0.296 0 CA-C-N 118.731 0.696 . . . . 0.0 110.608 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 55.3 t-80 -62.67 -50.54 70.78 Favored 'General case' 0 CA--C 1.549 0.942 0 CA-C-O 119.367 -0.349 . . . . 0.0 111.908 -179.471 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.617 HE21 ' N ' ' A' ' 57' ' ' GLN . 0.0 OUTLIER -62.53 -40.5 96.97 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-N 118.312 0.506 . . . . 0.0 111.479 -179.212 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 46.2 tt0 -59.4 -54.6 44.85 Favored 'General case' 0 N--CA 1.481 1.083 0 CA-C-N 118.086 0.403 . . . . 0.0 110.735 -177.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 36.4 mmt -62.1 -38.89 90.58 Favored 'General case' 0 C--N 1.348 0.515 0 O-C-N 122.445 -0.16 . . . . 0.0 110.677 -179.406 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 71.3 ttp85 -58.81 -48.2 82.12 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.466 -176.697 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 77.5 m-20 -62.83 -43.31 99.14 Favored 'General case' 0 CA--C 1.531 0.216 0 N-CA-C 109.897 -0.408 . . . . 0.0 109.897 179.071 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 56.2 m-20 -63.2 -47.04 84.25 Favored 'General case' 0 CA--C 1.545 0.775 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.587 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -64.28 -46.08 85.22 Favored 'General case' 0 N--CA 1.476 0.863 0 O-C-N 122.311 -0.243 . . . . 0.0 110.677 179.623 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 75.8 tt0 -58.26 -47.91 82.09 Favored 'General case' 0 C--N 1.348 0.539 0 C-N-CA 120.517 -0.473 . . . . 0.0 110.379 179.481 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 33.7 mmtm -60.85 -38.25 84.91 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 122.683 0.393 . . . . 0.0 111.662 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 90.4 mt-10 -70.81 -43.12 69.29 Favored 'General case' 0 N--CA 1.475 0.788 0 O-C-N 123.44 0.462 . . . . 0.0 109.875 178.36 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -55.01 -45.11 75.09 Favored 'General case' 0 N--CA 1.477 0.898 0 CA-C-O 120.698 0.285 . . . . 0.0 111.0 -179.27 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -65.68 -62.41 1.53 Allowed 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 179.102 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -51.59 -42.54 62.01 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.643 -178.652 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 60.6 tp -59.35 -43.8 92.75 Favored 'General case' 0 N--CA 1.479 0.996 0 CA-C-N 116.664 -0.244 . . . . 0.0 110.76 -179.526 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 76.3 m-20 -72.8 -62.69 1.37 Allowed 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 -179.6 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 79.3 mt -60.55 92.33 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.519 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 37.1 p-10 -60.32 155.85 16.97 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.194 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -63.69 -34.08 77.07 Favored 'General case' 0 N--CA 1.473 0.725 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.19 -179.571 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 50.2 m -160.74 167.57 26.58 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.937 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 60.2 m -59.54 -37.01 77.25 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.906 179.387 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 10.9 mp -67.59 152.81 95.93 Favored Pre-proline 0 CA--C 1.556 1.194 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.299 -178.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_exo . . . . . 0 N--CA 1.517 2.878 0 C-N-CA 122.826 2.351 . . . . 0.0 113.68 177.998 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . 0.405 ' H3 ' ' H ' ' A' ' 2' ' ' THR . 21.8 m120 . . . . . 0 N--CA 1.487 1.411 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.405 ' H ' ' H3 ' ' A' ' 1' ' ' ASN . 4.8 t -63.29 -22.29 66.78 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.523 179.607 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 27.1 m -59.85 -29.16 42.52 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.475 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.48 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 42.51 44.71 3.65 Favored 'General case' 0 N--CA 1.482 1.17 0 CA-C-O 121.357 0.599 . . . . 0.0 111.368 -179.612 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -57.2 158.94 4.83 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.427 -179.147 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 17.0 tt -64.73 -32.73 59.23 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 CA-C-O 120.978 0.418 . . . . 0.0 110.112 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 37.1 t -80.28 11.26 3.68 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 115.864 -0.607 . . . . 0.0 112.012 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -60.95 -40.71 94.38 Favored 'General case' 0 N--CA 1.481 1.117 0 CA-C-O 120.488 0.185 . . . . 0.0 110.927 -179.146 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 52.0 m -68.46 -47.38 67.28 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-O 121.155 0.502 . . . . 0.0 109.767 178.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 81.2 mt -63.27 -35.43 80.32 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.778 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 68.0 ttt-85 -58.84 -26.03 63.79 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 116.517 -0.311 . . . . 0.0 110.912 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -52.66 -69.24 0.12 Allowed 'General case' 0 N--CA 1.48 1.032 0 CA-C-O 120.562 0.22 . . . . 0.0 110.728 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 66.1 18.34 66.82 Favored Glycine 0 N--CA 1.471 0.967 0 N-CA-C 110.696 -0.962 . . . . 0.0 110.696 179.561 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -48.81 -20.38 1.77 Allowed Glycine 0 CA--C 1.53 0.989 0 N-CA-C 112.308 -0.317 . . . . 0.0 112.308 -179.676 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 105.83 -73.3 0.22 Allowed Glycine 0 N--CA 1.476 1.354 0 N-CA-C 110.369 -1.093 . . . . 0.0 110.369 179.461 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 57.2 mtpt -68.89 108.3 3.42 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.8 mt -146.85 128.9 15.53 Favored 'General case' 0 N--CA 1.483 1.216 0 N-CA-C 108.358 -0.979 . . . . 0.0 108.358 179.321 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -131.51 143.71 50.59 Favored 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 107.078 -1.452 . . . . 0.0 107.078 179.122 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 51.1 p90 -31.37 -34.24 0.01 OUTLIER 'General case' 0 C--O 1.21 -0.988 0 O-C-N 124.245 0.966 . . . . 0.0 113.066 -176.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -73.29 -45.13 57.4 Favored 'General case' 0 N--CA 1.481 1.095 0 N-CA-C 112.596 0.591 . . . . 0.0 112.596 178.408 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 68.8 mm-40 -60.88 -44.92 96.43 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 112.785 0.661 . . . . 0.0 112.785 -177.137 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.9 pp -76.85 -46.34 25.06 Favored 'General case' 0 CA--C 1.549 0.923 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.401 177.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.7 tmm_? -61.1 -49.85 75.64 Favored 'General case' 0 N--CA 1.485 1.284 0 O-C-N 122.356 -0.215 . . . . 0.0 111.353 -176.226 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -56.1 -35.36 66.96 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 112.422 0.527 . . . . 0.0 112.422 -178.644 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -72.74 -48.52 37.95 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 113.287 0.847 . . . . 0.0 113.287 177.298 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 24.9 mt -61.42 -31.57 71.5 Favored 'General case' 0 N--CA 1.483 1.193 0 CA-C-N 115.229 -0.896 . . . . 0.0 111.22 -177.317 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -56.42 -43.96 79.89 Favored 'General case' 0 CA--C 1.547 0.828 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 178.454 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.404 ' C ' ' H ' ' A' ' 30' ' ' GLY . . . -63.98 -35.91 92.6 Favored Glycine 0 CA--C 1.535 1.291 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.414 178.878 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -70.39 4.4 2.33 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 122.69 0.396 . . . . 0.0 111.503 -179.268 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.404 ' H ' ' C ' ' A' ' 28' ' ' GLY . . . 71.44 19.48 77.69 Favored Glycine 0 N--CA 1.469 0.86 0 CA-C-N 115.742 -0.663 . . . . 0.0 112.436 177.751 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -68.56 162.86 24.87 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 118.081 0.941 . . . . 0.0 110.183 179.37 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 68.2 p -94.57 159.72 14.96 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 115.296 -0.865 . . . . 0.0 110.11 -177.113 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -61.44 -41.57 97.4 Favored 'General case' 0 N--CA 1.462 0.151 0 N-CA-C 109.894 -0.41 . . . . 0.0 109.894 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.72 -47.06 87.16 Favored 'General case' 0 CA--C 1.542 0.672 0 O-C-N 123.324 0.39 . . . . 0.0 110.12 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 70.0 mm-40 -67.67 -46.78 71.38 Favored 'General case' 0 N--CA 1.477 0.92 0 O-C-N 121.363 -0.835 . . . . 0.0 110.712 -178.22 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 78.1 mt -57.72 -50.17 78.39 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.86 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.036 -177.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -64.19 -41.68 96.99 Favored 'General case' 0 C--N 1.349 0.562 0 CA-C-O 121.739 0.78 . . . . 0.0 111.754 -177.333 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.71 -44.6 85.63 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-N 115.404 -0.816 . . . . 0.0 111.368 -179.476 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.4 mp -62.15 -46.45 96.44 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 C-N-CA 119.847 -0.741 . . . . 0.0 112.483 -175.662 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -67.44 -38.4 84.46 Favored 'General case' 0 N--CA 1.478 0.942 0 CA-C-O 121.792 0.806 . . . . 0.0 110.959 -179.054 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 23.7 m -61.77 -46.53 89.19 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 114.219 -1.355 . . . . 0.0 111.861 -176.208 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 60.8 mttp -68.21 -48.94 63.84 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.417 179.349 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -72.36 -32.46 66.48 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 120.325 -0.55 . . . . 0.0 110.799 -177.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -109.64 106.07 15.59 Favored 'General case' 0 N--CA 1.494 1.731 0 N-CA-C 108.096 -1.076 . . . . 0.0 108.096 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 17.3 mm-40 -59.94 -50.4 73.92 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 112.764 0.653 . . . . 0.0 112.764 -176.088 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 28.0 t0 -106.11 -2.42 22.65 Favored 'General case' 0 N--CA 1.49 1.54 0 CA-C-N 119.37 0.987 . . . . 0.0 111.82 178.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 41.17 32.38 0.63 Allowed Glycine 0 N--CA 1.484 1.839 0 N-CA-C 113.811 0.285 . . . . 0.0 113.811 -179.242 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -114.35 -16.38 11.99 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 123.308 0.643 . . . . 0.0 111.497 -178.127 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -130.69 -172.05 2.71 Favored 'General case' 0 N--CA 1.488 1.471 0 C-N-CA 122.78 0.432 . . . . 0.0 110.738 -178.123 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 72.8 mm-40 -75.73 147.25 39.47 Favored 'General case' 0 C--N 1.342 0.244 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 -178.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 41.0 tp -90.42 123.3 34.02 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-O 121.764 0.793 . . . . 0.0 109.661 -176.537 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.412 ' CG2' ' H ' ' A' ' 53' ' ' GLU . 59.0 m -80.67 167.37 20.1 Favored 'General case' 0 N--CA 1.436 -1.133 0 CA-C-N 114.558 -1.201 . . . . 0.0 110.099 -177.269 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.412 ' H ' ' CG2' ' A' ' 52' ' ' THR . 71.0 mm-40 -72.34 -48.54 41.12 Favored 'General case' 0 N--CA 1.438 -1.065 0 CA-C-N 112.572 -2.104 . . . . 0.0 109.708 -179.57 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 84.7 t60 -54.64 -50.68 67.56 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 119.801 -0.76 . . . . 0.0 110.294 -175.602 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 71.4 mt-10 -62.34 -44.74 95.77 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 118.686 0.675 . . . . 0.0 110.112 179.201 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 -65.69 -54.34 28.74 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 111.966 0.358 . . . . 0.0 111.966 -179.085 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -57.32 -38.51 74.17 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 118.361 0.528 . . . . 0.0 110.752 -178.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 7.6 tp-100 -64.66 -54.59 29.31 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 179.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 30.4 tpp -62.58 -36.01 81.34 Favored 'General case' 0 C--N 1.351 0.644 0 CA-C-O 121.538 0.685 . . . . 0.0 110.893 -179.303 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 70.1 ttp85 -58.7 -47.57 84.11 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.344 -178.239 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -60.91 -36.51 79.46 Favored 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 179.206 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 74.8 m-20 -65.08 -40.22 94.34 Favored 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 178.729 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.2 tp -59.58 -49.2 78.69 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.221 -179.392 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 71.8 mm-40 -57.02 -43.92 82.34 Favored 'General case' 0 CA--C 1.552 1.052 0 C-N-CA 120.594 -0.443 . . . . 0.0 110.187 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 13.4 tmtt? -62.97 -44.52 95.83 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 122.792 0.437 . . . . 0.0 111.256 179.627 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 -66.21 -43.49 86.57 Favored 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 110.225 -0.287 . . . . 0.0 110.225 179.013 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 75.0 mtp180 -55.08 -43.06 73.56 Favored 'General case' 0 N--CA 1.481 1.08 0 CA-C-N 117.009 -0.087 . . . . 0.0 110.896 179.636 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -60.44 -65.01 0.75 Allowed 'General case' 0 N--CA 1.48 1.062 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 179.414 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -55.24 -42.01 72.86 Favored 'General case' 0 CA--C 1.553 1.076 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.3 -179.388 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 61.7 tp -63.36 -39.78 95.47 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 122.604 0.362 . . . . 0.0 111.41 179.718 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -60.45 -50.93 71.63 Favored 'General case' 0 N--CA 1.481 1.114 0 CA-C-O 120.849 0.357 . . . . 0.0 110.098 -179.298 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 79.9 mt -64.13 -44.45 92.18 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.179 179.535 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 70.4 m-20 -80.21 84.02 5.97 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 179.661 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 -60.78 -45.25 95.09 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.263 -179.737 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 33.6 t 51.33 -170.24 0.03 OUTLIER 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 115.463 -0.79 . . . . 0.0 110.798 -179.299 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 53.9 m -162.41 -10.7 0.04 OUTLIER 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 110.121 -0.326 . . . . 0.0 110.121 179.63 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 59.1 mt -68.09 145.25 97.57 Favored Pre-proline 0 CA--C 1.562 1.43 0 CA-C-O 118.515 -0.755 . . . . 0.0 111.117 -178.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_exo . . . . . 0 N--CA 1.52 3.084 0 C-N-CA 122.64 2.227 . . . . 0.0 113.786 178.757 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 68.6 p -65.41 -32.78 74.59 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.498 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 33.1 t -69.06 84.2 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 179.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -165.49 81.45 0.33 Allowed 'General case' 0 N--CA 1.468 0.448 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 179.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -71.44 155.87 40.12 Favored 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 108.933 -0.765 . . . . 0.0 108.933 179.13 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 17.9 tt -140.37 -37.09 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.182 0 C-N-CA 122.715 0.406 . . . . 0.0 110.126 -179.48 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 54.1 m -77.69 -4.61 47.02 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.952 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 75.1 tt0 -70.95 -40.13 72.2 Favored 'General case' 0 N--CA 1.479 0.976 0 N-CA-C 110.544 -0.169 . . . . 0.0 110.544 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 47.5 t -59.86 -51.42 69.77 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-O 121.027 0.441 . . . . 0.0 111.106 -179.19 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 21.0 mt -61.74 -43.56 98.62 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.894 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.448 ' O ' ' N ' ' A' ' 13' ' ' GLY . 59.8 ttp180 -67.04 -54.04 25.45 Favored 'General case' 0 C--N 1.345 0.399 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.33 -179.075 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 53.92 -78.25 0.01 OUTLIER 'General case' 0 CA--C 1.546 0.813 0 CA-C-N 115.422 -0.808 . . . . 0.0 111.23 -179.454 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 11' ' ' ARG . . . 75.78 16.3 80.75 Favored Glycine 0 N--CA 1.468 0.801 0 N-CA-C 110.636 -0.986 . . . . 0.0 110.636 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -74.96 -21.91 77.68 Favored Glycine 0 N--CA 1.469 0.871 0 N-CA-C 110.976 -0.849 . . . . 0.0 110.976 179.675 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 102.53 -33.73 6.32 Favored Glycine 0 N--CA 1.48 1.605 0 N-CA-C 111.154 -0.778 . . . . 0.0 111.154 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 44.8 mtmt -119.94 126.67 51.46 Favored 'General case' 0 N--CA 1.481 1.089 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 179.482 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.2 tp -154.65 138.6 16.34 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 -179.554 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 14.5 p30 -157.05 165.16 36.88 Favored 'General case' 0 CA--C 1.514 -0.405 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 179.316 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 24.0 p90 -31.3 -41.93 0.04 OUTLIER 'General case' 0 C--O 1.203 -1.35 0 O-C-N 124.75 1.281 . . . . 0.0 113.522 -177.368 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -72.24 -44.82 62.3 Favored 'General case' 0 N--CA 1.483 1.186 0 N-CA-C 112.795 0.665 . . . . 0.0 112.795 -179.199 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 65.8 mm-40 -63.07 -45.35 92.59 Favored 'General case' 0 N--CA 1.481 1.1 0 CA-C-N 115.464 -0.789 . . . . 0.0 112.721 -176.017 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.8 pp -77.5 -47.56 19.28 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.658 -0.701 . . . . 0.0 112.847 178.355 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.9 ppt_? -60.88 -45.85 92.94 Favored 'General case' 0 N--CA 1.494 1.76 0 C-N-CA 120.082 -0.647 . . . . 0.0 111.899 -173.202 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -56.16 -35.39 67.14 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.711 -0.677 . . . . 0.0 112.193 -178.076 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -72.36 -48.4 42.06 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 123.678 0.791 . . . . 0.0 112.687 178.227 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 95.9 mt -61.91 -31.47 71.78 Favored 'General case' 0 N--CA 1.484 1.251 0 CA-C-N 114.893 -1.048 . . . . 0.0 111.363 -177.427 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.2 ttpt -56.06 -45.45 79.29 Favored 'General case' 0 CA--C 1.547 0.83 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 178.555 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -62.01 -35.51 91.53 Favored Glycine 0 CA--C 1.533 1.173 0 N-CA-C 111.135 -0.786 . . . . 0.0 111.135 178.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -70.68 2.96 3.51 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 122.844 0.458 . . . . 0.0 111.157 -179.364 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 72.04 19.75 78.58 Favored Glycine 0 N--CA 1.466 0.657 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.943 177.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -66.93 162.38 22.01 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 117.7 0.75 . . . . 0.0 110.272 179.52 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.431 ' HG1' ' H ' ' A' ' 35' ' ' GLU . 60.4 p -96.04 162.99 13.32 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 115.09 -0.959 . . . . 0.0 109.69 -176.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 -61.8 -40.19 94.35 Favored 'General case' 0 C--O 1.234 0.267 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.32 -46.97 87.12 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 179.669 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.431 ' H ' ' HG1' ' A' ' 32' ' ' THR . 73.8 mt-10 -69.37 -48.07 62.37 Favored 'General case' 0 N--CA 1.472 0.627 0 O-C-N 121.205 -0.934 . . . . 0.0 110.028 -178.244 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 78.8 mt -57.14 -50.53 76.24 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.812 -176.702 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -64.1 -38.58 91.59 Favored 'General case' 0 C--N 1.349 0.581 0 CA-C-O 121.197 0.522 . . . . 0.0 111.21 -178.306 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.01 -45.36 81.83 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.037 -179.418 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.4 mp -61.94 -46.59 96.17 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.759 0 C-N-CA 120.082 -0.647 . . . . 0.0 112.035 -175.56 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -67.18 -41.0 86.62 Favored 'General case' 0 CA--C 1.508 -0.642 0 CA-C-O 121.263 0.554 . . . . 0.0 109.53 -179.495 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 16.6 m -61.09 -46.53 90.26 Favored 'General case' 0 C--N 1.35 0.595 0 CA-C-N 114.853 -1.067 . . . . 0.0 111.097 -175.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 60.5 mttp -69.6 -48.79 58.9 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.377 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -71.84 -32.09 67.18 Favored 'General case' 0 C--O 1.209 -1.037 0 C-N-CA 119.204 -0.998 . . . . 0.0 109.969 -176.487 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -112.67 105.35 13.49 Favored 'General case' 0 N--CA 1.483 1.191 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 -179.205 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 27.2 mm-40 -60.1 -50.89 71.93 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 120.746 -0.382 . . . . 0.0 111.833 -177.005 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 64.0 m-20 -105.77 -2.48 23.15 Favored 'General case' 0 N--CA 1.482 1.129 0 CA-C-N 118.719 0.69 . . . . 0.0 111.685 179.209 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 48.3 26.47 4.9 Favored Glycine 0 N--CA 1.484 1.9 0 C-N-CA 121.47 -0.395 . . . . 0.0 112.371 -179.286 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 70.4 m-20 -117.43 -18.71 9.76 Favored 'General case' 0 N--CA 1.489 1.493 0 C-N-CA 123.35 0.66 . . . . 0.0 111.848 -178.507 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.5 pp0? -120.19 164.2 16.59 Favored 'General case' 0 N--CA 1.49 1.527 0 C-N-CA 123.276 0.63 . . . . 0.0 110.566 -177.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -76.52 147.41 37.78 Favored 'General case' 0 C--N 1.343 0.298 0 C-N-CA 124.144 0.978 . . . . 0.0 109.516 178.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -91.93 118.91 31.2 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-O 122.123 0.964 . . . . 0.0 111.06 -178.327 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.9 t -79.9 -178.1 6.29 Favored 'General case' 0 CA--C 1.493 -1.237 0 CA-C-N 113.426 -1.715 . . . . 0.0 108.218 -177.679 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 92.2 mt-10 -65.26 -58.75 5.17 Favored 'General case' 0 C--N 1.308 -1.212 0 CA-C-N 113.782 -1.554 . . . . 0.0 111.026 -177.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 65.9 m80 -54.76 -50.28 68.8 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 120.364 -0.534 . . . . 0.0 110.499 -174.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 70.6 mm-40 -61.22 -48.01 83.45 Favored 'General case' 0 C--O 1.218 -0.597 0 CA-C-N 118.137 0.426 . . . . 0.0 109.965 178.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 41.5 t-80 -62.55 -53.09 59.91 Favored 'General case' 0 CA--C 1.551 1.015 0 N-CA-C 112.363 0.505 . . . . 0.0 112.363 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.424 ' NE2' ' N ' ' A' ' 57' ' ' GLN . 0.5 OUTLIER -61.53 -38.26 86.75 Favored 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 111.78 0.289 . . . . 0.0 111.78 -178.621 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 83.5 mt-30 -60.83 -53.99 50.65 Favored 'General case' 0 N--CA 1.478 0.932 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 34.2 mmt -63.42 -36.71 84.65 Favored 'General case' 0 C--N 1.344 0.358 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 58.2 ttp180 -60.53 -48.81 80.12 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 119.475 -0.89 . . . . 0.0 110.381 -178.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 75.9 m-20 -62.3 -36.74 83.07 Favored 'General case' 0 C--N 1.344 0.337 0 CA-C-O 120.916 0.389 . . . . 0.0 110.518 -179.232 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 74.1 m-20 -64.32 -41.38 96.85 Favored 'General case' 0 C--O 1.224 -0.259 0 CA-C-N 115.403 -0.817 . . . . 0.0 108.837 179.302 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.2 tp -61.19 -50.27 73.82 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.459 -179.297 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 72.1 mt-10 -57.17 -46.73 82.53 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 120.554 -0.459 . . . . 0.0 109.853 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -60.91 -43.2 98.88 Favored 'General case' 0 N--CA 1.477 0.894 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.37 179.47 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 90.5 mt-10 -66.56 -46.3 76.53 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 179.465 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 76.5 mtp180 -52.64 -46.15 66.97 Favored 'General case' 0 N--CA 1.481 1.122 0 N-CA-C 111.381 0.141 . . . . 0.0 111.381 -179.676 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -63.24 -65.02 0.74 Allowed 'General case' 0 N--CA 1.479 0.995 0 CA-C-O 120.788 0.327 . . . . 0.0 110.169 179.303 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -51.72 -42.41 62.23 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.942 -179.43 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 56.1 tp -55.37 -44.85 76.41 Favored 'General case' 0 N--CA 1.485 1.279 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.819 -178.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 60.9 m-20 -60.74 -52.1 66.52 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-O 120.997 0.427 . . . . 0.0 109.994 -179.594 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 79.3 mt -60.97 -42.42 98.28 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.439 -179.748 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 75.9 m-20 -64.43 136.5 57.15 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 179.282 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 75.8 m80 -64.76 -43.54 92.94 Favored 'General case' 0 N--CA 1.467 0.421 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 -179.385 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 43.7 t 50.32 21.34 0.79 Allowed 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.176 -179.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 38.7 t -63.2 -19.7 64.75 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 115.327 -0.851 . . . . 0.0 110.937 -179.682 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 64.6 mt -68.13 144.53 96.98 Favored Pre-proline 0 CA--C 1.555 1.136 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.844 -178.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_endo . . . . . 0 N--CA 1.511 2.557 0 C-N-CA 121.998 1.799 . . . . 0.0 110.679 179.593 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 5.1 p-10 . . . . . 0 N--CA 1.488 1.458 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 24.3 m -62.33 -50.63 70.88 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-O 120.761 0.315 . . . . 0.0 111.294 -179.735 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 50.7 t -66.22 -44.44 91.37 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 N-CA-C 109.786 -0.449 . . . . 0.0 109.786 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 19.3 p-10 -166.53 160.83 15.65 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.141 -179.569 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 -77.05 111.39 12.57 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.673 179.736 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 43.3 pt -66.38 -23.69 32.06 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 CA-C-O 121.173 0.511 . . . . 0.0 110.348 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 50.0 m -81.09 12.19 3.59 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 115.517 -0.765 . . . . 0.0 111.707 -179.685 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 77.0 tt0 -60.46 -39.44 87.59 Favored 'General case' 0 N--CA 1.481 1.077 0 CA-C-N 117.687 0.221 . . . . 0.0 110.497 -178.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 89.0 p -64.22 -39.92 94.96 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 178.629 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 56.4 mt -66.32 -40.78 90.16 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.573 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -58.46 -25.74 62.6 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 122.08 0.152 . . . . 0.0 110.967 -178.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -46.0 -75.95 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.092 0 O-C-N 123.071 0.232 . . . . 0.0 111.059 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.409 ' C ' ' H ' ' A' ' 15' ' ' GLY . . . 56.69 18.58 24.82 Favored Glycine 0 N--CA 1.474 1.17 0 N-CA-C 110.981 -0.847 . . . . 0.0 110.981 179.152 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -56.41 -7.89 2.29 Favored Glycine 0 CA--C 1.532 1.133 0 N-CA-C 111.833 -0.507 . . . . 0.0 111.833 -179.512 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.409 ' H ' ' C ' ' A' ' 13' ' ' GLY . . . 105.1 -62.11 0.36 Allowed Glycine 0 N--CA 1.474 1.177 0 N-CA-C 110.54 -1.024 . . . . 0.0 110.54 179.145 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 41.4 mtmt -82.69 107.74 15.54 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 179.704 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.8 tp -151.2 136.2 17.41 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 109.584 -0.525 . . . . 0.0 109.584 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 21.2 p30 -155.56 164.01 39.22 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.057 -0.719 . . . . 0.0 109.057 179.355 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 29.9 p90 -30.95 -40.54 0.03 OUTLIER 'General case' 0 CA--C 1.547 0.862 0 O-C-N 124.641 1.213 . . . . 0.0 113.017 -177.408 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -73.69 -45.32 53.11 Favored 'General case' 0 N--CA 1.486 1.349 0 CA-C-O 121.31 0.576 . . . . 0.0 112.483 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 67.3 mm-40 -61.54 -45.03 95.91 Favored 'General case' 0 N--CA 1.478 0.958 0 CA-C-O 121.185 0.517 . . . . 0.0 112.077 -176.466 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.1 pp -76.46 -46.85 25.08 Favored 'General case' 0 CA--C 1.547 0.832 0 CA-C-N 115.588 -0.733 . . . . 0.0 112.341 178.416 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 8.0 tmm_? -61.31 -49.97 74.84 Favored 'General case' 0 N--CA 1.487 1.418 0 N-CA-C 112.077 0.399 . . . . 0.0 112.077 -175.376 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -59.97 -34.87 73.86 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.903 -178.732 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -71.62 -48.17 49.72 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-O 121.442 0.639 . . . . 0.0 110.203 175.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 22.6 mt -62.97 -32.05 73.3 Favored 'General case' 0 N--CA 1.494 1.735 0 CA-C-N 114.877 -1.056 . . . . 0.0 111.779 -176.546 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.2 ttpt -55.34 -43.39 74.96 Favored 'General case' 0 CA--C 1.55 0.95 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 178.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -64.11 -35.77 92.41 Favored Glycine 0 CA--C 1.534 1.267 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.744 179.081 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -70.55 2.91 3.47 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 122.702 0.401 . . . . 0.0 111.337 -178.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 71.48 19.42 77.71 Favored Glycine 0 N--CA 1.467 0.742 0 CA-C-N 115.707 -0.679 . . . . 0.0 112.275 177.32 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -67.07 162.47 22.17 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-N 117.832 0.816 . . . . 0.0 110.399 179.76 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 71.8 p -90.37 158.91 16.88 Favored 'General case' 0 CA--C 1.503 -0.861 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.44 -176.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.463 ' O ' ' HG3' ' A' ' 37' ' ' GLU . 73.3 m-20 -62.89 -45.21 93.6 Favored 'General case' 0 C--O 1.213 -0.817 0 N-CA-C 109.786 -0.449 . . . . 0.0 109.786 -179.647 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.51 -46.52 86.57 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 120.519 -0.472 . . . . 0.0 110.889 -179.482 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 62.2 mm-40 -65.61 -42.41 91.64 Favored 'General case' 0 N--CA 1.479 0.986 0 CA-C-O 121.175 0.512 . . . . 0.0 110.839 -176.617 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 66.9 mt -57.34 -47.11 85.18 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.514 0 CA-C-N 115.356 -0.838 . . . . 0.0 109.053 179.663 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.463 ' HG3' ' O ' ' A' ' 33' ' ' ASP . 76.8 mt-10 -57.87 -47.03 83.92 Favored 'General case' 0 CA--C 1.507 -0.706 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.53 -179.45 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.11 -44.68 96.98 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.392 -179.622 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.6 mp -63.48 -47.22 92.64 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.9 0 C-N-CA 118.872 -1.131 . . . . 0.0 111.369 -175.444 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -67.95 -44.78 76.0 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-O 121.69 0.757 . . . . 0.0 110.926 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 40.9 m -59.23 -46.72 87.72 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-N 114.312 -1.313 . . . . 0.0 111.803 -176.737 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -69.62 -48.97 58.2 Favored 'General case' 0 N--CA 1.446 -0.655 0 C-N-CA 121.064 -0.255 . . . . 0.0 110.366 -179.64 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 -71.28 -32.14 68.32 Favored 'General case' 0 C--N 1.352 0.699 0 C-N-CA 119.69 -0.804 . . . . 0.0 110.167 -176.667 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -112.24 103.6 11.76 Favored 'General case' 0 N--CA 1.483 1.223 0 N-CA-C 108.998 -0.741 . . . . 0.0 108.998 -179.125 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.451 ' N ' ' NE2' ' A' ' 45' ' ' GLN . 1.2 mp0 -60.19 -51.2 70.58 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-O 118.905 -0.569 . . . . 0.0 111.184 -176.779 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 65.4 m-20 -106.04 -2.23 22.99 Favored 'General case' 0 N--CA 1.488 1.438 0 CA-C-N 119.025 0.83 . . . . 0.0 112.31 179.196 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 43.89 34.57 2.98 Favored Glycine 0 N--CA 1.489 2.231 0 CA-C-N 117.611 0.187 . . . . 0.0 113.423 -178.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -116.19 -19.74 10.12 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 123.329 0.652 . . . . 0.0 112.253 -178.088 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -125.71 169.62 12.36 Favored 'General case' 0 N--CA 1.494 1.773 0 CA-C-O 121.134 0.492 . . . . 0.0 110.984 -177.856 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -75.94 147.1 39.18 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 123.541 0.736 . . . . 0.0 109.208 179.446 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -91.93 118.43 30.74 Favored 'General case' 0 N--CA 1.481 1.095 0 CA-C-O 121.939 0.876 . . . . 0.0 110.598 -178.186 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 4.9 t -79.62 -177.98 6.12 Favored 'General case' 0 CA--C 1.498 -1.048 0 CA-C-N 114.169 -1.378 . . . . 0.0 109.263 -176.515 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 91.1 mt-10 -63.53 -60.77 2.91 Favored 'General case' 0 C--N 1.311 -1.086 0 CA-C-N 114.101 -1.409 . . . . 0.0 111.331 -178.015 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 46.4 t-80 -56.3 -50.41 71.51 Favored 'General case' 0 N--CA 1.479 0.975 0 C-N-CA 120.354 -0.538 . . . . 0.0 110.988 -174.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 44.7 tp10 -60.45 -49.33 77.99 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 118.678 0.672 . . . . 0.0 110.105 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 21.4 t60 -63.54 -50.68 68.58 Favored 'General case' 0 CA--C 1.549 0.916 0 N-CA-C 111.861 0.319 . . . . 0.0 111.861 -179.63 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.608 HE21 ' N ' ' A' ' 57' ' ' GLN . 0.0 OUTLIER -60.18 -42.21 94.53 Favored 'General case' 0 CA--C 1.552 1.026 0 CA-C-N 118.419 0.554 . . . . 0.0 111.443 -178.931 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 79.5 mm-40 -60.18 -54.51 45.02 Favored 'General case' 0 N--CA 1.481 1.118 0 CA-C-N 117.592 0.178 . . . . 0.0 110.966 -178.525 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 35.9 mmt -61.55 -39.99 93.08 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-O 120.956 0.408 . . . . 0.0 110.567 -179.33 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 60.4 ttp180 -59.79 -48.63 80.91 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.809 -178.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -65.34 -35.94 82.52 Favored 'General case' 0 N--CA 1.464 0.258 0 N-CA-C 110.411 -0.218 . . . . 0.0 110.411 179.729 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 79.3 m-20 -66.78 -46.82 74.09 Favored 'General case' 0 C--N 1.341 0.215 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.947 -178.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 10.9 tp -64.56 -47.94 76.88 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.375 -178.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 78.1 tt0 -57.43 -46.55 83.44 Favored 'General case' 0 CA--C 1.547 0.85 0 CA-C-N 118.228 0.467 . . . . 0.0 110.17 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 25.6 mmtp -62.68 -40.97 98.76 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.305 179.756 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 59.7 mm-40 -69.02 -43.48 74.66 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 178.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -54.44 -43.7 71.84 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 122.073 0.149 . . . . 0.0 110.807 -179.289 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 45.2 tp10 -62.85 -64.81 0.81 Allowed 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 109.492 -0.559 . . . . 0.0 109.492 179.639 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 58.0 m-20 -53.44 -44.6 68.96 Favored 'General case' 0 CA--C 1.55 0.946 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.799 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 62.4 tp -60.95 -42.77 98.89 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 122.455 0.302 . . . . 0.0 111.013 -179.706 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -59.51 -54.1 50.47 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 -179.354 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.472 ' C ' ' H ' ' A' ' 74' ' ' HIS . 5.4 tp -75.36 50.06 0.5 Allowed 'General case' 0 CA--C 1.544 0.731 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.72 -179.843 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 6.9 p30 -68.65 6.86 0.75 Allowed 'General case' 0 N--CA 1.476 0.874 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.408 179.285 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.472 ' H ' ' C ' ' A' ' 72' ' ' LEU . 69.8 m80 -70.62 -34.97 72.68 Favored 'General case' 0 N--CA 1.465 0.307 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 179.19 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 92.9 p -168.02 92.25 0.35 Allowed 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.411 -179.635 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 91.9 p -62.19 -34.78 77.11 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.867 179.547 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.27 148.21 98.8 Favored Pre-proline 0 CA--C 1.555 1.165 0 CA-C-O 118.986 -0.53 . . . . 0.0 110.045 -179.77 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_endo . . . . . 0 N--CA 1.51 2.463 0 C-N-CA 121.903 1.735 . . . . 0.0 110.328 179.0 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 79.8 m-20 . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.1 t -60.44 -20.89 61.42 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.835 179.635 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 50.6 t -62.06 -43.45 97.7 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.571 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -157.9 133.8 9.24 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.952 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 19.3 p-10 -66.42 141.37 57.95 Favored 'General case' 0 CA--C 1.541 0.599 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 179.084 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 35.0 pt -66.3 -20.98 28.04 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 CA-C-O 120.893 0.377 . . . . 0.0 110.28 179.604 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 54.7 m -71.25 7.31 1.34 Allowed 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.422 179.738 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 39.5 tp10 -61.44 -38.73 88.25 Favored 'General case' 0 N--CA 1.478 0.93 0 CA-C-O 120.811 0.339 . . . . 0.0 110.601 -179.683 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 52.7 m -56.64 -51.29 69.26 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-O 120.797 0.332 . . . . 0.0 110.537 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -68.16 -32.91 73.5 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.356 179.201 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 65.1 ttt-85 -58.79 -26.68 64.3 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 116.728 -0.215 . . . . 0.0 110.471 -179.175 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 95.8 mm-40 -43.77 -82.93 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.256 0 O-C-N 123.387 0.43 . . . . 0.0 110.739 178.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.442 ' C ' ' H ' ' A' ' 15' ' ' GLY . . . 62.15 18.37 57.57 Favored Glycine 0 N--CA 1.471 1.014 0 N-CA-C 110.701 -0.96 . . . . 0.0 110.701 179.362 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -53.96 -8.38 1.0 Allowed Glycine 0 CA--C 1.538 1.471 0 N-CA-C 111.815 -0.514 . . . . 0.0 111.815 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.442 ' H ' ' C ' ' A' ' 13' ' ' GLY . . . 106.48 -72.27 0.22 Allowed Glycine 0 N--CA 1.474 1.231 0 N-CA-C 110.484 -1.046 . . . . 0.0 110.484 178.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 56.6 mtpt -74.46 108.9 7.52 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 179.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.7 tp -151.14 135.26 16.72 Favored 'General case' 0 C--O 1.221 -0.433 0 N-CA-C 107.452 -1.314 . . . . 0.0 107.452 179.396 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.423 ' ND2' ' H ' ' A' ' 20' ' ' ASP . 9.6 t30 -135.51 145.82 47.47 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 44.3 p90 -31.83 -32.29 0.01 OUTLIER 'General case' 0 C--O 1.198 -1.613 0 C-N-CA 124.147 0.979 . . . . 0.0 112.281 -178.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.423 ' H ' ' ND2' ' A' ' 18' ' ' ASN . 30.3 t70 -72.53 -45.46 59.2 Favored 'General case' 0 N--CA 1.481 1.082 0 CA-C-O 121.329 0.585 . . . . 0.0 111.973 179.016 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.414 ' N ' ' O ' ' A' ' 18' ' ' ASN . 72.3 mm-40 -59.53 -47.12 86.77 Favored 'General case' 0 N--CA 1.486 1.366 0 CA-C-O 121.401 0.62 . . . . 0.0 111.902 -176.863 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.6 pp -76.15 -46.83 26.74 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 114.603 -1.18 . . . . 0.0 112.041 178.01 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.3 ttm-85 -60.33 -49.8 76.14 Favored 'General case' 0 N--CA 1.486 1.353 0 CA-C-O 120.939 0.4 . . . . 0.0 111.074 -175.491 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -58.45 -34.78 71.22 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.938 -0.574 . . . . 0.0 112.301 -178.676 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -70.93 -48.23 54.64 Favored 'General case' 0 N--CA 1.448 -0.551 0 C-N-CA 122.848 0.459 . . . . 0.0 110.345 176.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 54.1 mt -61.76 -31.7 71.9 Favored 'General case' 0 N--CA 1.502 2.173 0 CA-C-N 115.111 -0.949 . . . . 0.0 111.775 -176.702 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 34.8 ttpt -55.38 -45.2 76.58 Favored 'General case' 0 CA--C 1.552 1.055 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 178.471 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -61.63 -34.53 88.84 Favored Glycine 0 CA--C 1.536 1.375 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.721 179.407 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp -70.74 1.33 5.52 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 123.016 0.526 . . . . 0.0 111.406 -178.755 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 71.95 19.56 78.37 Favored Glycine 0 N--CA 1.467 0.753 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 177.325 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -67.29 162.76 22.03 Favored 'General case' 0 C--N 1.351 0.634 0 CA-C-N 117.373 0.586 . . . . 0.0 109.798 179.606 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 49.9 p -95.23 161.96 13.88 Favored 'General case' 0 CA--C 1.507 -0.695 0 CA-C-N 115.189 -0.914 . . . . 0.0 109.415 -176.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 72.3 m-20 -60.25 -42.24 94.9 Favored 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.45 -46.89 85.65 Favored 'General case' 0 C--N 1.352 0.714 0 O-C-N 123.648 0.593 . . . . 0.0 109.899 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -68.67 -47.6 66.09 Favored 'General case' 0 N--CA 1.473 0.7 0 O-C-N 121.633 -0.667 . . . . 0.0 110.136 -177.646 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 82.3 mt -57.98 -51.18 73.83 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 CA-C-N 115.248 -0.887 . . . . 0.0 110.705 -176.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -64.0 -42.07 97.29 Favored 'General case' 0 C--N 1.351 0.669 0 CA-C-O 121.136 0.494 . . . . 0.0 111.415 -177.559 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.23 -45.93 82.66 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 115.195 -0.911 . . . . 0.0 110.962 -178.484 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.3 mp -61.55 -47.26 94.21 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.423 0 CA-C-O 121.066 0.46 . . . . 0.0 111.008 -174.102 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -67.85 -42.1 81.91 Favored 'General case' 0 C--O 1.205 -1.251 0 CA-C-O 121.619 0.723 . . . . 0.0 110.447 -179.506 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 15.5 m -58.32 -45.25 88.4 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 114.827 -1.078 . . . . 0.0 111.077 -175.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -67.09 -49.11 66.11 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.061 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 16.7 m-85 -71.62 -31.06 66.48 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 120.506 -0.478 . . . . 0.0 111.02 -177.5 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.447 ' N ' ' OD1' ' A' ' 44' ' ' ASP . 0.3 OUTLIER -105.77 104.6 14.35 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 108.636 -0.875 . . . . 0.0 108.636 -179.149 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.462 ' N ' ' NE2' ' A' ' 45' ' ' GLN . 0.4 OUTLIER -62.77 -52.22 64.06 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 120.233 -0.587 . . . . 0.0 111.359 -177.087 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 64.1 m-20 -107.26 -2.92 20.27 Favored 'General case' 0 C--N 1.362 1.122 0 CA-C-N 119.041 0.837 . . . . 0.0 111.049 178.285 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 42.75 37.89 2.96 Favored Glycine 0 N--CA 1.492 2.389 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 -178.212 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -116.78 -19.75 9.78 Favored 'General case' 0 N--CA 1.491 1.589 0 C-N-CA 123.832 0.853 . . . . 0.0 112.157 -178.649 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.7 pm0 -131.07 175.99 8.63 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 123.354 0.662 . . . . 0.0 110.226 -177.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 71.7 mt-10 -76.17 147.9 38.13 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 114.677 -1.147 . . . . 0.0 109.5 179.589 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 16.8 mt -90.92 119.17 30.9 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.173 -177.329 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 6.9 t -79.78 -178.39 6.38 Favored 'General case' 0 CA--C 1.489 -1.367 0 CA-C-N 115.122 -0.945 . . . . 0.0 108.72 -177.076 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -68.8 -58.3 4.38 Favored 'General case' 0 C--N 1.305 -1.33 0 CA-C-N 113.407 -1.724 . . . . 0.0 110.661 -177.613 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 80.9 t60 -55.13 -50.13 70.04 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 119.724 -0.79 . . . . 0.0 110.065 -173.668 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 66.3 tt0 -57.94 -51.17 70.76 Favored 'General case' 0 C--O 1.218 -0.553 0 CA-C-N 118.044 0.383 . . . . 0.0 110.214 178.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.471 ' HE2' HH21 ' A' ' 60' ' ' ARG . 21.1 t60 -62.76 -52.16 64.3 Favored 'General case' 0 CA--C 1.546 0.827 0 N-CA-C 111.965 0.357 . . . . 0.0 111.965 -179.039 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -58.85 -36.7 75.01 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-N 117.687 0.221 . . . . 0.0 111.445 -179.17 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 48.0 tt0 -65.64 -54.37 28.55 Favored 'General case' 0 CA--C 1.541 0.612 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 -179.55 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 34.1 mmt -62.77 -35.1 78.72 Favored 'General case' 0 C--N 1.353 0.736 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.471 HH21 ' HE2' ' A' ' 56' ' ' HIS . 36.0 ttm180 -59.45 -48.98 79.56 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 119.422 -0.911 . . . . 0.0 110.012 -179.019 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -62.49 -36.43 82.49 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-O 120.715 0.293 . . . . 0.0 110.673 -179.652 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 60.7 m-20 -66.23 -44.83 82.64 Favored 'General case' 0 C--O 1.221 -0.415 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.036 -179.601 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 62.7 tp -60.56 -48.02 83.62 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.775 -179.24 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -57.03 -46.58 82.29 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 110.154 -0.313 . . . . 0.0 110.154 -178.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 57.3 mtpt -59.23 -42.02 90.03 Favored 'General case' 0 CA--C 1.551 0.993 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.411 178.481 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -69.88 -42.83 72.95 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 179.494 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 61.9 mtp85 -50.67 -38.92 49.33 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 122.061 0.144 . . . . 0.0 110.755 -179.455 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -58.36 -65.33 0.67 Allowed 'General case' 0 N--CA 1.483 1.186 0 CA-C-O 120.797 0.332 . . . . 0.0 110.336 178.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -53.57 -40.67 65.79 Favored 'General case' 0 N--CA 1.477 0.901 0 CA-C-O 121.002 0.429 . . . . 0.0 110.714 -178.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 75.4 mt -67.09 -38.94 86.58 Favored 'General case' 0 N--CA 1.477 0.923 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.739 -179.641 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -60.02 -46.38 89.69 Favored 'General case' 0 N--CA 1.48 1.066 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 -179.526 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 78.5 mt -64.06 -42.85 96.86 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.292 179.675 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 -66.41 104.98 1.34 Allowed 'General case' 0 CA--C 1.542 0.661 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 179.4 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 67.8 m80 -71.82 -17.79 62.13 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 -179.614 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 51.9 m -60.33 138.79 57.9 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.616 179.534 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 46.5 t -61.68 -41.55 97.71 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 121.068 0.461 . . . . 0.0 110.331 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 68.4 mt -70.55 145.99 93.34 Favored Pre-proline 0 CA--C 1.556 1.204 0 CA-C-N 115.36 -0.836 . . . . 0.0 111.551 -178.192 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_exo . . . . . 0 N--CA 1.513 2.643 0 C-N-CA 122.242 1.962 . . . . 0.0 113.294 178.098 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 18.0 m120 . . . . . 0 N--CA 1.491 1.621 0 N-CA-C 108.936 -0.765 . . . . 0.0 108.936 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 21.5 m -63.9 -47.64 79.8 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-O 120.888 0.375 . . . . 0.0 110.522 179.73 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 49.2 t -62.41 -48.04 90.16 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.437 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 -179.06 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 28.7 t70 52.26 96.08 0.01 OUTLIER 'General case' 0 CA--C 1.542 0.642 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.538 -179.387 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 18.0 p-10 -152.14 32.29 0.53 Allowed 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 120.387 0.137 . . . . 0.0 110.657 -179.349 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.412 ' C ' ' H ' ' A' ' 8' ' ' GLU . 73.6 mt -99.45 -40.22 8.48 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.08 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 179.604 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 48.1 m -72.47 10.51 0.8 Allowed 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.228 -178.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.412 ' H ' ' C ' ' A' ' 6' ' ' ILE . 69.9 mm-40 -61.72 -43.41 98.91 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-O 120.506 0.193 . . . . 0.0 110.73 179.399 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 60.7 p -67.81 -45.68 74.05 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-O 121.06 0.457 . . . . 0.0 109.809 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 66.1 mt -61.88 -30.34 70.8 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.535 179.224 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 57.6 ttm-85 -58.46 -27.24 64.21 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.496 -179.198 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -53.66 -93.86 0.0 OUTLIER 'General case' 0 CA--C 1.544 0.737 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.004 179.405 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 60.55 18.71 52.3 Favored Glycine 0 C--N 1.345 1.083 0 N-CA-C 111.079 -0.808 . . . . 0.0 111.079 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -66.52 53.85 0.2 Allowed Glycine 0 C--N 1.344 0.977 0 N-CA-C 111.619 -0.592 . . . . 0.0 111.619 -178.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 68.6 -65.73 0.43 Allowed Glycine 0 C--N 1.337 0.62 0 N-CA-C 111.928 -0.469 . . . . 0.0 111.928 178.672 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 71.2 mmtt -88.65 106.6 18.43 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 109.716 -0.475 . . . . 0.0 109.716 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -140.07 125.54 19.06 Favored 'General case' 0 C--O 1.21 -0.976 0 O-C-N 124.159 0.912 . . . . 0.0 108.822 179.307 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.457 ' O ' ' N ' ' A' ' 21' ' ' GLU . 0.8 OUTLIER -136.46 141.69 43.55 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 108.053 -1.091 . . . . 0.0 108.053 -179.768 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 54.7 p90 -33.44 -30.1 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.306 1.042 . . . . 0.0 113.185 -178.69 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -66.95 -45.7 76.95 Favored 'General case' 0 C--O 1.21 -1.02 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 179.277 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 18' ' ' ASN . 69.2 mm-40 -59.35 -41.02 88.24 Favored 'General case' 0 N--CA 1.476 0.872 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.812 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 61.6 mt -74.88 -47.98 27.25 Favored 'General case' 0 N--CA 1.48 1.037 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.837 178.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 36.6 ttm180 -62.17 -54.29 43.11 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.737 -178.236 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 51.7 mm-40 -59.88 -36.47 76.98 Favored 'General case' 0 CA--C 1.501 -0.93 0 CA-C-N 115.562 -0.745 . . . . 0.0 111.811 -176.311 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 39.1 t70 -72.17 -49.43 35.78 Favored 'General case' 0 N--CA 1.444 -0.756 0 CA-C-O 121.285 0.564 . . . . 0.0 110.645 175.314 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 38.3 mt -62.73 -32.42 73.53 Favored 'General case' 0 N--CA 1.489 1.524 0 CA-C-N 114.609 -1.178 . . . . 0.0 111.842 -177.103 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.8 ttmm -54.89 -45.22 74.65 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 120.085 -0.646 . . . . 0.0 110.423 178.724 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -62.46 -29.89 74.74 Favored Glycine 0 N--CA 1.472 1.065 0 CA-C-N 115.752 -0.658 . . . . 0.0 112.296 -179.215 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -71.06 5.72 1.94 Allowed 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 122.579 0.352 . . . . 0.0 111.73 -178.448 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 70.59 12.19 69.79 Favored Glycine 0 N--CA 1.47 0.913 0 N-CA-C 111.248 -0.741 . . . . 0.0 111.248 176.662 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -66.75 161.93 22.52 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 -179.249 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 70.6 p -88.96 160.47 17.12 Favored 'General case' 0 CA--C 1.507 -0.675 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.068 -177.098 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 58.8 m-20 -58.02 -44.29 87.24 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.743 179.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.21 -47.32 85.78 Favored 'General case' 0 N--CA 1.471 0.606 0 O-C-N 123.691 0.619 . . . . 0.0 109.821 -179.417 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 70.1 mm-40 -69.26 -44.81 71.16 Favored 'General case' 0 N--CA 1.472 0.638 0 O-C-N 121.485 -0.759 . . . . 0.0 110.782 -177.7 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 87.1 mt -58.67 -50.46 79.07 Favored 'Isoleucine or valine' 0 C--O 1.242 0.689 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.745 -177.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -63.57 -40.5 97.15 Favored 'General case' 0 C--N 1.345 0.397 0 CA-C-O 121.254 0.549 . . . . 0.0 111.429 -176.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.75 -45.25 87.24 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 115.151 -0.931 . . . . 0.0 111.746 -177.615 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.4 mp -62.31 -46.34 96.65 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 C-N-CA 119.549 -0.86 . . . . 0.0 111.821 -174.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -67.59 -42.85 81.83 Favored 'General case' 0 C--O 1.206 -1.192 0 CA-C-O 121.798 0.809 . . . . 0.0 109.229 -179.076 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 16.4 m -58.26 -44.16 88.23 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 114.809 -1.087 . . . . 0.0 111.039 -176.153 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -66.21 -48.99 68.8 Favored 'General case' 0 N--CA 1.442 -0.847 0 C-N-CA 119.958 -0.697 . . . . 0.0 110.0 -178.414 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 17.6 m-85 -71.46 -31.28 66.98 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 120.201 -0.599 . . . . 0.0 110.136 -177.616 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.47 ' N ' ' OD1' ' A' ' 44' ' ' ASP . 0.4 OUTLIER -101.22 107.53 18.94 Favored 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 -179.344 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.49 ' N ' ' NE2' ' A' ' 45' ' ' GLN . 0.6 OUTLIER -63.41 -51.78 64.36 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-O 119.147 -0.454 . . . . 0.0 111.677 -176.199 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 36.0 t0 -107.39 -2.77 20.24 Favored 'General case' 0 N--CA 1.481 1.11 0 CA-C-N 118.696 0.68 . . . . 0.0 111.448 177.22 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 48.72 25.25 4.68 Favored Glycine 0 N--CA 1.484 1.87 0 C-N-CA 121.277 -0.487 . . . . 0.0 112.461 -178.062 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -117.75 -19.22 9.38 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 123.365 0.666 . . . . 0.0 111.854 -178.569 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -121.96 170.59 9.66 Favored 'General case' 0 N--CA 1.487 1.403 0 CA-C-O 121.373 0.606 . . . . 0.0 110.331 -177.756 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 -77.02 147.97 36.48 Favored 'General case' 0 C--O 1.234 0.284 0 C-N-CA 123.665 0.786 . . . . 0.0 110.312 179.744 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 18.5 mt -91.13 118.07 30.13 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 120.938 0.399 . . . . 0.0 110.962 -176.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.2 t -79.67 -178.27 6.28 Favored 'General case' 0 N--CA 1.44 -0.96 0 CA-C-N 115.114 -0.948 . . . . 0.0 108.846 -176.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 74.3 mt-10 -70.4 -57.03 5.26 Favored 'General case' 0 C--N 1.31 -1.148 0 CA-C-N 114.54 -1.209 . . . . 0.0 110.748 -177.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 56.4 t-80 -54.43 -50.9 66.54 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 119.957 -0.697 . . . . 0.0 110.231 -173.134 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 71.7 mm-40 -60.54 -51.24 70.25 Favored 'General case' 0 C--O 1.217 -0.638 0 CA-C-N 117.983 0.356 . . . . 0.0 110.361 179.003 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 32.6 t60 -60.09 -52.7 64.23 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 111.716 0.265 . . . . 0.0 111.716 -179.495 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -59.41 -37.0 76.9 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 117.766 0.257 . . . . 0.0 111.492 -179.002 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 50.8 tt0 -63.85 -54.38 35.81 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 -179.214 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 35.0 mmt -62.34 -35.65 79.77 Favored 'General case' 0 C--N 1.348 0.518 0 N-CA-C 109.619 -0.511 . . . . 0.0 109.619 179.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 59.2 ttp180 -59.61 -49.02 79.38 Favored 'General case' 0 C--N 1.347 0.489 0 C-N-CA 119.614 -0.835 . . . . 0.0 110.007 -178.37 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 75.8 m-20 -63.25 -36.43 83.62 Favored 'General case' 0 C--O 1.221 -0.445 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 -179.629 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -64.41 -44.03 92.52 Favored 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 -179.662 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 57.0 tp -61.28 -49.84 75.42 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.547 -179.36 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.4 tp10 -57.5 -45.74 84.57 Favored 'General case' 0 CA--C 1.545 0.768 0 CA-C-O 121.21 0.528 . . . . 0.0 109.911 -178.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 62.1 mmtt -57.12 -41.07 78.31 Favored 'General case' 0 N--CA 1.476 0.836 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.662 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 72.8 mt-10 -76.77 -34.31 58.02 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.034 178.584 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 63.6 ttt-85 -51.97 -39.35 59.2 Favored 'General case' 0 C--N 1.353 0.746 0 C-N-CA 122.53 0.332 . . . . 0.0 111.134 -179.181 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -58.19 -65.24 0.68 Allowed 'General case' 0 N--CA 1.481 1.124 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.089 179.406 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -56.69 -38.36 72.17 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 116.315 -0.402 . . . . 0.0 109.999 -179.609 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 8.2 tp -64.02 -42.8 97.0 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.012 -179.413 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -58.72 -44.91 90.54 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.862 -179.08 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 10.1 tp -63.65 -44.79 92.82 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.308 -179.712 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 68.9 m-20 -66.57 146.02 54.96 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.367 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 61.0 t-80 -62.72 -19.64 64.13 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.582 -0.281 . . . . 0.0 110.343 -179.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 46.7 t 52.01 39.0 25.39 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 121.431 0.634 . . . . 0.0 110.701 -179.407 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 96.0 p -60.5 -22.04 63.11 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.258 -179.601 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 64.6 mt -68.14 146.74 98.23 Favored Pre-proline 0 CA--C 1.553 1.072 0 CA-C-O 118.409 -0.805 . . . . 0.0 110.914 -178.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_exo . . . . . 0 N--CA 1.511 2.519 0 C-N-CA 122.52 2.146 . . . . 0.0 113.15 178.504 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 49.7 t30 . . . . . 0 N--CA 1.497 1.923 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.412 ' C ' ' H ' ' A' ' 4' ' ' ASP . 57.9 p -62.15 -27.59 69.06 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-O 120.967 0.413 . . . . 0.0 110.13 -179.762 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 35.1 m -77.09 19.37 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.422 179.484 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.412 ' H ' ' C ' ' A' ' 2' ' ' THR . 15.3 p-10 -53.42 168.66 0.15 Allowed 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 110.036 -0.357 . . . . 0.0 110.036 179.22 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -162.66 179.03 8.0 Favored 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 64.1 mt -65.13 -44.99 95.45 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.649 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.345 -179.664 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 86.7 p -58.24 -9.41 1.48 Allowed 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.622 -179.123 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 43.3 tp10 -61.82 -45.47 93.68 Favored 'General case' 0 N--CA 1.479 0.984 0 N-CA-C 110.086 -0.339 . . . . 0.0 110.086 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 42.5 t -65.4 -43.14 91.56 Favored 'General case' 0 N--CA 1.481 1.079 0 CA-C-O 120.972 0.415 . . . . 0.0 110.731 179.115 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.405 ' HA ' ' HE2' ' A' ' 56' ' ' HIS . 8.0 mp -64.93 -30.14 71.11 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.509 -179.665 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 34.4 ttm180 -58.21 -26.01 62.3 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 110.102 -0.333 . . . . 0.0 110.102 -178.379 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -50.2 -79.16 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.097 178.626 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 55.3 17.92 12.82 Favored Glycine 0 N--CA 1.473 1.163 0 N-CA-C 110.839 -0.905 . . . . 0.0 110.839 179.443 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -58.58 -6.08 3.17 Favored Glycine 0 CA--C 1.526 0.776 0 N-CA-C 111.614 -0.594 . . . . 0.0 111.614 -179.699 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 107.61 -69.65 0.21 Allowed Glycine 0 C--N 1.35 1.332 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 178.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 41.9 mtmt -82.08 113.85 20.23 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.5 tp -153.39 139.35 18.17 Favored 'General case' 0 C--O 1.216 -0.708 0 N-CA-C 108.111 -1.07 . . . . 0.0 108.111 179.345 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.415 ' ND2' ' N ' ' A' ' 18' ' ' ASN . 0.1 OUTLIER -148.53 154.99 40.55 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.047 0.842 . . . . 0.0 108.737 -178.901 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 41.3 p90 -31.22 -35.11 0.01 OUTLIER 'General case' 0 C--O 1.178 -2.686 0 O-C-N 124.831 1.332 . . . . 0.0 112.629 -177.536 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -72.46 -44.6 62.1 Favored 'General case' 0 C--O 1.204 -1.293 0 CA-C-N 117.703 0.229 . . . . 0.0 111.507 -178.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 73.4 mm-40 -63.55 -48.33 77.92 Favored 'General case' 0 N--CA 1.479 1.023 0 CA-C-O 121.81 0.815 . . . . 0.0 112.309 -176.375 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.0 pp -76.57 -47.16 23.41 Favored 'General case' 0 N--CA 1.483 1.218 0 CA-C-N 114.846 -1.07 . . . . 0.0 112.632 179.554 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.4 ttt180 -61.4 -50.98 70.68 Favored 'General case' 0 N--CA 1.489 1.476 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.653 -175.299 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -56.28 -36.45 68.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.41 -0.813 . . . . 0.0 112.032 -177.635 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -72.11 -49.49 35.79 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 123.767 0.827 . . . . 0.0 113.018 177.461 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 95.0 mt -61.04 -31.57 71.2 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 124.385 1.053 . . . . 0.0 111.198 -177.455 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.2 ttpp -55.84 -44.59 78.12 Favored 'General case' 0 CA--C 1.551 1.015 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 178.687 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -62.54 -31.76 80.88 Favored Glycine 0 CA--C 1.532 1.094 0 N-CA-C 111.741 -0.544 . . . . 0.0 111.741 -179.69 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 43.5 mmtm -71.95 2.29 5.85 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.405 0.682 . . . . 0.0 111.033 -178.561 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 71.57 19.48 77.85 Favored Glycine 0 N--CA 1.471 0.984 0 N-CA-C 111.597 -0.601 . . . . 0.0 111.597 178.213 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -68.39 162.07 26.18 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 117.487 0.643 . . . . 0.0 109.893 179.583 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 70.3 p -92.29 159.01 15.8 Favored 'General case' 0 CA--C 1.502 -0.894 0 CA-C-N 115.912 -0.585 . . . . 0.0 109.488 -176.369 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.524 ' O ' ' HG3' ' A' ' 37' ' ' GLU . 72.2 m-20 -60.88 -44.67 96.77 Favored 'General case' 0 C--O 1.211 -0.951 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 -179.85 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.95 -46.46 85.04 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 120.12 -0.632 . . . . 0.0 110.246 -179.048 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -65.9 -48.89 69.97 Favored 'General case' 0 N--CA 1.48 1.059 0 CA-C-O 121.095 0.474 . . . . 0.0 110.497 -177.422 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 77.2 mt -56.44 -49.7 75.94 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.756 0 CA-C-N 115.221 -0.899 . . . . 0.0 108.882 -177.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.524 ' HG3' ' O ' ' A' ' 33' ' ' ASP . 92.0 mt-10 -61.47 -44.85 96.37 Favored 'General case' 0 CA--C 1.502 -0.871 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.692 -178.622 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.27 -45.67 92.51 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.462 -178.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.5 mp -62.99 -46.94 95.02 Favored 'Isoleucine or valine' 0 N--CA 1.509 2.51 0 C-N-CA 119.623 -0.831 . . . . 0.0 111.96 -174.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -68.11 -46.11 71.82 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-O 121.604 0.716 . . . . 0.0 110.513 179.666 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 48.8 m -58.75 -45.12 90.43 Favored 'General case' 0 C--O 1.238 0.458 0 CA-C-N 114.855 -1.066 . . . . 0.0 111.402 -177.311 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 54.3 mtpt -69.32 -49.25 57.56 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.964 -179.62 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -71.11 -31.07 67.32 Favored 'General case' 0 N--CA 1.484 1.227 0 CA-C-O 119.602 -0.237 . . . . 0.0 110.44 -176.67 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.408 ' OD1' ' NE2' ' A' ' 49' ' ' GLN . 10.1 t0 -108.82 105.55 15.16 Favored 'General case' 0 N--CA 1.483 1.197 0 N-CA-C 107.783 -1.191 . . . . 0.0 107.783 179.548 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.492 ' N ' ' NE2' ' A' ' 45' ' ' GLN . 0.5 OUTLIER -59.12 -50.41 74.14 Favored 'General case' 0 C--O 1.24 0.579 0 N-CA-C 112.559 0.577 . . . . 0.0 112.559 -175.671 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 55.6 m-20 -105.06 -1.66 25.37 Favored 'General case' 0 N--CA 1.48 1.07 0 CA-C-N 118.831 0.741 . . . . 0.0 111.817 -179.555 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 54.67 21.39 21.73 Favored Glycine 0 N--CA 1.482 1.752 0 C-N-CA 121.245 -0.502 . . . . 0.0 112.272 179.719 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 62.9 m-20 -116.84 -16.14 10.62 Favored 'General case' 0 N--CA 1.495 1.807 0 C-N-CA 123.604 0.762 . . . . 0.0 112.773 -176.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.408 ' NE2' ' OD1' ' A' ' 44' ' ' ASP . 3.3 pm0 -122.64 173.56 7.64 Favored 'General case' 0 N--CA 1.488 1.43 0 CA-C-O 121.916 0.865 . . . . 0.0 110.961 -178.247 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 89.4 mt-10 -76.23 149.1 37.25 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 113.907 -1.497 . . . . 0.0 108.908 179.111 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.1 mp -89.16 120.19 30.33 Favored 'General case' 0 CA--C 1.54 0.596 0 CA-C-O 121.632 0.73 . . . . 0.0 109.374 -176.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 91.6 m -79.35 164.81 23.75 Favored 'General case' 0 CA--C 1.493 -1.238 0 CA-C-N 114.549 -1.205 . . . . 0.0 108.295 -176.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 74.9 mt-10 -65.79 -54.41 27.29 Favored 'General case' 0 C--N 1.305 -1.329 0 CA-C-N 113.479 -1.691 . . . . 0.0 110.492 -178.186 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 42.3 m80 -56.18 -50.76 70.29 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 120.205 -0.598 . . . . 0.0 110.41 -173.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -64.18 -49.39 72.23 Favored 'General case' 0 CA--C 1.537 0.464 0 N-CA-C 110.207 -0.294 . . . . 0.0 110.207 179.341 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.405 ' HE2' ' HA ' ' A' ' 10' ' ' LEU . 42.3 t-80 -59.1 -50.96 72.05 Favored 'General case' 0 CA--C 1.546 0.822 0 CA-C-N 116.554 -0.293 . . . . 0.0 111.115 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.618 HE21 ' N ' ' A' ' 57' ' ' GLN . 0.0 OUTLIER -61.88 -34.32 75.81 Favored 'General case' 0 CA--C 1.549 0.914 0 CA-C-N 118.107 0.412 . . . . 0.0 110.972 179.907 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 65.4 tp60 -63.69 -54.26 38.37 Favored 'General case' 0 N--CA 1.479 1.006 0 CA-C-O 121.196 0.522 . . . . 0.0 110.353 -178.441 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 35.1 mmt -61.34 -34.63 75.6 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-O 121.0 0.428 . . . . 0.0 109.99 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 69.1 ttp85 -58.85 -47.79 83.61 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 115.877 -0.602 . . . . 0.0 109.661 -178.722 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 75.0 m-20 -61.31 -38.4 86.72 Favored 'General case' 0 CA--C 1.538 0.508 0 N-CA-C 109.797 -0.445 . . . . 0.0 109.797 179.466 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 64.5 m-20 -66.58 -40.09 88.76 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.444 179.148 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 44.6 tp -61.01 -49.24 78.23 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 116.803 -0.181 . . . . 0.0 110.738 -179.158 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 70.6 mm-40 -56.94 -43.55 81.64 Favored 'General case' 0 CA--C 1.551 0.986 0 N-CA-C 109.789 -0.449 . . . . 0.0 109.789 -179.328 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -62.77 -44.1 97.07 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 122.737 0.415 . . . . 0.0 111.223 178.114 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 65.7 mm-40 -66.41 -45.51 79.72 Favored 'General case' 0 N--CA 1.482 1.168 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 179.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 77.3 mtp180 -54.46 -42.54 70.75 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 122.233 0.213 . . . . 0.0 110.577 179.28 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 74.9 tt0 -62.46 -65.82 0.63 Allowed 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 179.578 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 58.0 m-20 -53.0 -41.43 64.64 Favored 'General case' 0 N--CA 1.478 0.955 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.815 -179.699 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 59.9 tp -62.52 -39.11 92.5 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.585 179.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -59.22 -50.46 73.94 Favored 'General case' 0 N--CA 1.483 1.196 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 -178.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 10.5 mp -69.79 93.68 0.76 Allowed 'General case' 0 CA--C 1.541 0.611 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 179.231 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -62.56 138.79 58.56 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 178.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 71.6 m80 -64.07 -50.36 68.69 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-O 120.844 0.354 . . . . 0.0 110.403 -179.375 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 96.5 p -71.86 86.22 0.97 Allowed 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 115.789 -0.642 . . . . 0.0 109.438 179.331 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 91.3 p -64.61 -27.41 68.92 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 116.055 -0.52 . . . . 0.0 109.696 179.399 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 69.8 mt -69.07 143.93 94.86 Favored Pre-proline 0 CA--C 1.562 1.421 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.297 -178.244 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 81.1 Cg_endo . . . . . 0 N--CA 1.511 2.554 0 C-N-CA 121.905 1.737 . . . . 0.0 110.585 179.421 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 81.9 m-20 . . . . . 0 N--CA 1.489 1.509 0 N-CA-C 108.874 -0.788 . . . . 0.0 108.874 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 26.2 m -62.51 -43.28 99.2 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-O 120.875 0.369 . . . . 0.0 110.496 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.422 ' C ' ' H ' ' A' ' 5' ' ' ASP . 34.6 m -79.62 23.24 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.517 -179.802 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 21.2 p-10 -72.24 44.56 0.12 Allowed 'General case' 0 N--CA 1.479 1.015 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 178.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.422 ' H ' ' C ' ' A' ' 3' ' ' VAL . 26.4 t70 -76.06 56.73 1.03 Allowed 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 179.824 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.452 ' C ' ' H ' ' A' ' 8' ' ' GLU . 17.8 tt -74.18 -29.73 25.56 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 CA-C-N 116.002 -0.545 . . . . 0.0 109.632 179.146 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 84.4 p -68.15 11.09 0.17 Allowed 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.52 -179.404 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.452 ' H ' ' C ' ' A' ' 6' ' ' ILE . 77.3 tt0 -64.5 -45.94 85.1 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-O 120.641 0.258 . . . . 0.0 110.684 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 78.7 p -70.71 -45.97 63.97 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 110.117 -0.327 . . . . 0.0 110.117 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 19.7 mt -58.98 -29.66 67.37 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.151 -179.419 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.596 HH22 HH22 ' A' ' 60' ' ' ARG . 57.5 ttt85 -58.29 -41.11 83.69 Favored 'General case' 0 N--CA 1.47 0.531 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 -179.687 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 53.14 -124.32 2.28 Favored 'General case' 0 CA--C 1.559 1.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.055 179.626 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 75.88 15.74 81.13 Favored Glycine 0 C--N 1.345 1.082 0 N-CA-C 111.07 -0.812 . . . . 0.0 111.07 179.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -80.92 4.81 68.4 Favored Glycine 0 N--CA 1.471 1.018 0 N-CA-C 110.817 -0.913 . . . . 0.0 110.817 179.37 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 68.05 -73.4 0.28 Allowed Glycine 0 CA--C 1.53 1.018 0 N-CA-C 110.916 -0.874 . . . . 0.0 110.916 -179.515 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -84.91 113.33 21.32 Favored 'General case' 0 N--CA 1.485 1.278 0 N-CA-C 107.891 -1.152 . . . . 0.0 107.891 179.407 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 11.2 mt -151.88 139.2 19.39 Favored 'General case' 0 C--O 1.216 -0.679 0 O-C-N 123.892 0.745 . . . . 0.0 109.732 -179.453 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.404 ' O ' ' N ' ' A' ' 21' ' ' GLU . 2.3 p-10 -141.48 145.47 35.25 Favored 'General case' 0 C--N 1.316 -0.85 0 N-CA-C 107.041 -1.466 . . . . 0.0 107.041 178.769 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 32.1 p90 -32.6 -32.29 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 124.865 1.266 . . . . 0.0 113.888 -177.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -70.64 -45.77 64.56 Favored 'General case' 0 C--O 1.213 -0.853 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 -177.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.404 ' N ' ' O ' ' A' ' 18' ' ' ASN . 70.1 mm-40 -59.47 -39.91 85.2 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 115.196 -0.911 . . . . 0.0 110.12 179.756 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 66.5 mt -74.77 -47.99 27.98 Favored 'General case' 0 N--CA 1.48 1.035 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.591 178.411 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 33.2 ttm180 -62.28 -53.85 49.13 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.69 -0.687 . . . . 0.0 110.454 -178.244 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 50.2 mm-40 -60.22 -37.57 80.73 Favored 'General case' 0 CA--C 1.504 -0.803 0 CA-C-N 115.262 -0.881 . . . . 0.0 112.282 -176.691 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -72.3 -49.17 36.58 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-O 121.357 0.599 . . . . 0.0 110.208 175.679 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 45.0 mt -63.19 -32.22 73.56 Favored 'General case' 0 N--CA 1.492 1.643 0 CA-C-N 114.42 -1.263 . . . . 0.0 112.061 -176.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 32.8 ttmt -55.16 -45.67 75.73 Favored 'General case' 0 CA--C 1.558 1.252 0 C-N-CA 120.235 -0.586 . . . . 0.0 110.734 178.566 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.414 ' C ' ' H ' ' A' ' 30' ' ' GLY . . . -62.21 -29.41 72.89 Favored Glycine 0 CA--C 1.532 1.15 0 CA-C-N 115.861 -0.609 . . . . 0.0 112.872 -179.847 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -70.9 7.32 1.19 Allowed 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 122.644 0.378 . . . . 0.0 111.772 -178.34 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.414 ' H ' ' C ' ' A' ' 28' ' ' GLY . . . 70.68 11.48 69.05 Favored Glycine 0 N--CA 1.47 0.907 0 N-CA-C 111.287 -0.725 . . . . 0.0 111.287 176.78 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -66.85 161.62 23.48 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 -179.76 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 68.4 p -89.94 159.72 16.78 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 115.663 -0.698 . . . . 0.0 109.933 -176.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 17.3 p-10 -57.8 -44.26 86.2 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 116.567 -0.288 . . . . 0.0 110.684 179.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.32 -46.69 87.89 Favored 'General case' 0 N--CA 1.475 0.776 0 O-C-N 123.559 0.537 . . . . 0.0 110.24 -179.638 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 -70.06 -46.82 64.16 Favored 'General case' 0 N--CA 1.47 0.565 0 O-C-N 121.59 -0.694 . . . . 0.0 110.421 -178.111 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 83.3 mt -56.56 -50.05 75.04 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.669 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.646 -177.023 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -62.73 -41.1 99.02 Favored 'General case' 0 C--N 1.346 0.425 0 CA-C-O 120.912 0.386 . . . . 0.0 111.411 -177.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.49 -45.37 83.87 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 115.403 -0.817 . . . . 0.0 112.115 -178.496 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.5 mp -62.59 -46.68 95.79 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.882 0 C-N-CA 120.317 -0.553 . . . . 0.0 111.564 -175.118 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -67.44 -42.0 83.86 Favored 'General case' 0 C--O 1.214 -0.804 0 CA-C-O 121.784 0.802 . . . . 0.0 109.765 -179.199 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 11.4 m -58.59 -44.28 89.77 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-N 114.743 -1.117 . . . . 0.0 110.992 -176.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 62.0 tttp -65.89 -48.52 71.22 Favored 'General case' 0 N--CA 1.442 -0.873 0 C-N-CA 120.302 -0.559 . . . . 0.0 109.776 -179.268 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -71.74 -31.11 66.33 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 120.277 -0.569 . . . . 0.0 110.666 -177.405 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -105.66 106.99 17.75 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 -179.718 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.469 ' N ' ' NE2' ' A' ' 45' ' ' GLN . 0.7 OUTLIER -63.57 -51.64 64.5 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-O 119.116 -0.468 . . . . 0.0 111.803 -176.736 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 64.9 m-20 -106.91 -2.52 21.2 Favored 'General case' 0 N--CA 1.484 1.246 0 CA-C-N 118.844 0.747 . . . . 0.0 111.379 178.023 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 48.89 24.45 4.33 Favored Glycine 0 N--CA 1.484 1.84 0 N-CA-C 112.137 -0.385 . . . . 0.0 112.137 -178.134 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -118.25 -20.46 8.56 Favored 'General case' 0 N--CA 1.489 1.517 0 C-N-CA 123.485 0.714 . . . . 0.0 112.378 -178.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -120.16 168.97 10.67 Favored 'General case' 0 N--CA 1.488 1.439 0 C-N-CA 123.314 0.646 . . . . 0.0 110.481 -177.293 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -76.63 147.82 37.32 Favored 'General case' 0 C--O 1.233 0.236 0 C-N-CA 124.117 0.967 . . . . 0.0 109.779 179.253 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 19.6 mt -91.12 118.36 30.36 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 121.352 0.596 . . . . 0.0 110.046 -176.617 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.7 t -80.36 -178.05 6.45 Favored 'General case' 0 CA--C 1.496 -1.122 0 CA-C-N 114.917 -1.038 . . . . 0.0 108.834 -177.389 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 88.5 mt-10 -69.22 -56.1 8.61 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 114.19 -1.368 . . . . 0.0 110.302 -178.131 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -54.01 -50.29 66.96 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 120.079 -0.648 . . . . 0.0 110.099 -174.018 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -59.02 -52.71 64.6 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 177.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 21.5 t-80 -58.47 -53.83 53.91 Favored 'General case' 0 CA--C 1.55 0.967 0 N-CA-C 111.905 0.335 . . . . 0.0 111.905 179.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.408 ' N ' ' NE2' ' A' ' 57' ' ' GLN . 0.8 OUTLIER -58.73 -34.52 71.44 Favored 'General case' 0 N--CA 1.473 0.709 0 O-C-N 122.457 -0.152 . . . . 0.0 111.12 -178.702 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -66.87 -54.5 21.69 Favored 'General case' 0 CA--C 1.544 0.728 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 33.5 mmt -61.82 -36.05 80.0 Favored 'General case' 0 C--N 1.352 0.712 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 -179.477 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.596 HH22 HH22 ' A' ' 11' ' ' ARG . 76.6 ttt180 -59.69 -49.35 78.07 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 119.452 -0.899 . . . . 0.0 109.641 -179.531 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -60.07 -36.87 78.3 Favored 'General case' 0 N--CA 1.477 0.88 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 -179.079 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -66.09 -36.79 84.14 Favored 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 178.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.4 tp -62.57 -49.95 73.25 Favored 'General case' 0 C--N 1.343 0.319 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.276 -179.589 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 72.0 mt-10 -57.39 -43.43 83.66 Favored 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 109.735 -0.468 . . . . 0.0 109.735 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 57.2 mttp -57.84 -39.04 76.75 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 122.329 0.252 . . . . 0.0 111.118 179.417 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -48.95 -32.52 9.23 Favored 'General case' 0 N--CA 1.486 1.332 0 CA-C-O 121.746 0.784 . . . . 0.0 110.354 -179.114 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -56.59 -47.3 79.86 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 114.127 -1.397 . . . . 0.0 110.034 -178.22 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 78.7 tt0 -67.3 -45.18 77.31 Favored 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 179.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 58.4 m-20 -64.48 -15.67 61.17 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.689 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 5.8 tp -62.52 -34.75 77.52 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.813 -179.108 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -71.88 -44.56 63.54 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 115.866 -0.607 . . . . 0.0 109.741 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 61.7 mt -63.89 -40.81 97.4 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.504 179.638 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -64.05 87.33 0.04 OUTLIER 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 179.457 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 54.4 t-80 -64.92 -42.25 94.88 Favored 'General case' 0 N--CA 1.466 0.357 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 46.0 t 52.48 84.68 0.05 OUTLIER 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.144 -179.346 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 93.1 p -59.44 -32.51 70.28 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.263 -178.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 10.9 mp -65.1 153.14 89.84 Favored Pre-proline 0 CA--C 1.56 1.336 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.686 -178.706 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 74.6 Cg_exo . . . . . 0 N--CA 1.515 2.766 0 C-N-CA 122.759 2.306 . . . . 0.0 113.114 177.949 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 24.5 p-10 . . . . . 0 N--CA 1.494 1.757 0 N-CA-C 108.515 -0.921 . . . . 0.0 108.515 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 23.6 m -63.28 -45.06 93.22 Favored 'General case' 0 N--CA 1.48 1.073 0 CA-C-O 120.721 0.296 . . . . 0.0 110.406 178.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 49.4 t -65.32 -52.47 51.76 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.095 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.281 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 61.3 m-20 -84.99 110.33 18.83 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -70.36 87.73 0.63 Allowed 'General case' 0 CA--C 1.541 0.597 0 N-CA-C 109.454 -0.572 . . . . 0.0 109.454 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 36.5 pt -71.12 -19.86 21.26 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.008 0 CA-C-N 116.307 -0.406 . . . . 0.0 109.94 179.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 41.3 t -59.85 -14.27 14.41 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.382 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 74.4 mt-10 -68.11 -38.26 82.08 Favored 'General case' 0 CA--C 1.547 0.829 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.339 178.782 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 87.3 p -63.36 -51.35 66.27 Favored 'General case' 0 N--CA 1.483 1.195 0 CA-C-O 120.522 0.201 . . . . 0.0 111.419 -179.263 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 10.1 mp -62.26 -41.47 98.48 Favored 'General case' 0 N--CA 1.483 1.191 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 179.696 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.458 ' O ' ' N ' ' A' ' 13' ' ' GLY . 40.2 ttm180 -59.84 -52.49 65.21 Favored 'General case' 0 N--CA 1.477 0.876 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 179.829 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 60.8 tp60 54.51 -81.6 0.01 OUTLIER 'General case' 0 CA--C 1.554 1.126 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.967 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 11' ' ' ARG . . . 67.23 16.52 67.01 Favored Glycine 0 N--CA 1.474 1.195 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 178.833 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -85.47 -8.37 80.89 Favored Glycine 0 N--CA 1.473 1.14 0 N-CA-C 111.08 -0.808 . . . . 0.0 111.08 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 82.03 -67.53 3.66 Favored Glycine 0 N--CA 1.479 1.51 0 N-CA-C 111.161 -0.776 . . . . 0.0 111.161 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 57.3 mtpt -72.63 108.42 5.64 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 179.049 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 23.7 tp -148.93 130.69 15.07 Favored 'General case' 0 CA--C 1.532 0.257 0 N-CA-C 108.223 -1.028 . . . . 0.0 108.223 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.464 ' ND2' ' CE1' ' A' ' 19' ' ' PHE . 6.5 p-10 -152.56 163.12 40.22 Favored 'General case' 0 N--CA 1.465 0.317 0 N-CA-C 107.742 -1.207 . . . . 0.0 107.742 179.288 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.464 ' CE1' ' ND2' ' A' ' 18' ' ' ASN . 28.6 p90 -32.14 -44.42 0.09 Allowed 'General case' 0 C--O 1.191 -2.019 0 O-C-N 124.544 1.153 . . . . 0.0 112.658 -178.634 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -72.68 -45.25 59.79 Favored 'General case' 0 N--CA 1.479 1.014 0 CA-C-N 118.302 0.501 . . . . 0.0 111.659 -178.537 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -63.15 -47.06 84.29 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-N 116.025 -0.534 . . . . 0.0 112.166 -176.096 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.7 pp -76.67 -46.84 24.11 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 112.834 0.679 . . . . 0.0 112.834 179.514 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.2 ttt180 -62.75 -53.03 60.63 Favored 'General case' 0 N--CA 1.487 1.403 0 CA-C-O 120.929 0.395 . . . . 0.0 111.746 -174.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 -58.16 -34.33 70.18 Favored 'General case' 0 CA--C 1.512 -0.496 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.955 -178.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -71.25 -47.89 54.36 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.341 0.591 . . . . 0.0 110.366 177.132 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 24.4 mt -62.12 -31.39 71.85 Favored 'General case' 0 N--CA 1.496 1.831 0 CA-C-N 114.38 -1.282 . . . . 0.0 111.821 -176.443 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 32.6 ttmt -55.45 -44.3 76.23 Favored 'General case' 0 CA--C 1.553 1.068 0 CA-C-O 121.355 0.597 . . . . 0.0 109.557 178.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -61.98 -35.62 91.67 Favored Glycine 0 CA--C 1.538 1.469 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.884 179.014 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -70.37 -0.28 7.89 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 123.02 0.528 . . . . 0.0 111.022 -178.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 71.68 19.53 78.01 Favored Glycine 0 N--CA 1.474 1.176 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.74 178.134 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -66.64 162.75 20.4 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-N 117.553 0.677 . . . . 0.0 109.771 178.827 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 54.1 p -96.18 160.31 14.5 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-N 115.593 -0.73 . . . . 0.0 109.505 -177.01 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -59.97 -40.57 89.55 Favored 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 110.383 -0.229 . . . . 0.0 110.383 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.09 -47.22 86.05 Favored 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 72.5 mt-10 -68.36 -46.03 71.19 Favored 'General case' 0 N--CA 1.472 0.668 0 O-C-N 121.72 -0.613 . . . . 0.0 110.542 -177.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 85.5 mt -59.76 -50.59 79.48 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.799 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.682 -177.234 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -63.04 -42.55 99.76 Favored 'General case' 0 C--N 1.351 0.65 0 CA-C-O 121.93 0.871 . . . . 0.0 111.741 -177.349 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.1 -44.98 82.8 Favored 'General case' 0 CA--C 1.552 1.027 0 CA-C-N 115.289 -0.869 . . . . 0.0 111.307 -179.448 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.2 mp -61.52 -46.88 95.65 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.551 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.521 -173.46 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -67.92 -41.58 82.4 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-O 121.655 0.74 . . . . 0.0 111.264 -179.541 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 15.4 m -59.35 -45.81 90.37 Favored 'General case' 0 C--O 1.238 0.486 0 CA-C-N 114.231 -1.35 . . . . 0.0 111.279 -175.384 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 60.3 mttp -68.66 -49.66 57.31 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.053 -179.13 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 -74.84 -32.47 61.94 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 120.075 -0.65 . . . . 0.0 111.796 -177.21 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -103.06 109.66 21.3 Favored 'General case' 0 N--CA 1.484 1.251 0 N-CA-C 107.099 -1.445 . . . . 0.0 107.099 177.61 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.446 ' N ' ' NE2' ' A' ' 45' ' ' GLN . 0.5 OUTLIER -62.54 -51.04 68.98 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-O 119.121 -0.466 . . . . 0.0 111.504 -175.937 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 27.0 t0 -106.43 -2.05 22.52 Favored 'General case' 0 N--CA 1.484 1.237 0 CA-C-N 118.564 0.62 . . . . 0.0 111.193 178.4 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 53.25 22.34 14.33 Favored Glycine 0 N--CA 1.477 1.368 0 C-N-CA 121.296 -0.478 . . . . 0.0 112.58 -179.148 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -118.06 -8.95 10.63 Favored 'General case' 0 N--CA 1.492 1.644 0 C-N-CA 123.705 0.802 . . . . 0.0 111.508 -178.689 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -124.76 163.14 22.76 Favored 'General case' 0 N--CA 1.483 1.192 0 CA-C-O 121.553 0.692 . . . . 0.0 110.242 -177.028 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -75.73 147.78 39.07 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 114.486 -1.234 . . . . 0.0 108.44 179.601 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.4 tp -90.77 119.8 31.28 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-O 121.732 0.777 . . . . 0.0 109.701 -177.507 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.2 t -80.71 -179.64 7.35 Favored 'General case' 0 CA--C 1.494 -1.191 0 CA-C-N 114.349 -1.296 . . . . 0.0 109.805 -177.409 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -70.01 -52.78 21.42 Favored 'General case' 0 N--CA 1.435 -1.216 0 CA-C-N 113.43 -1.713 . . . . 0.0 110.724 -177.429 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 93.0 m-70 -54.15 -50.62 66.54 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 120.398 -0.521 . . . . 0.0 110.452 -174.142 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 77.3 mt-10 -61.96 -40.44 95.58 Favored 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 177.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.414 ' CE1' ' O ' ' A' ' 11' ' ' ARG . 17.5 t60 -63.73 -48.78 75.69 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.297 179.578 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 10.2 mm-40 -53.17 -42.58 66.33 Favored 'General case' 0 N--CA 1.489 1.491 0 CA-C-N 118.004 0.365 . . . . 0.0 111.782 -178.667 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -62.97 -49.67 73.78 Favored 'General case' 0 N--CA 1.48 1.031 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 178.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.4 ' SD ' ' N ' ' A' ' 60' ' ' ARG . 0.7 OUTLIER -59.28 -42.94 92.43 Favored 'General case' 0 C--N 1.347 0.479 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 179.144 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.4 ' N ' ' SD ' ' A' ' 59' ' ' MET . 67.8 ttp85 -59.49 -48.4 81.81 Favored 'General case' 0 C--N 1.353 0.719 0 C-N-CA 120.44 -0.504 . . . . 0.0 110.01 -177.831 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 74.8 m-20 -61.05 -36.57 79.93 Favored 'General case' 0 CA--C 1.536 0.436 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 179.167 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 58.2 m-20 -68.97 -37.88 79.03 Favored 'General case' 0 C--N 1.345 0.401 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 179.759 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 50.5 tp -61.05 -50.39 73.51 Favored 'General case' 0 C--N 1.35 0.6 0 C-N-CA 121.05 -0.26 . . . . 0.0 110.366 -179.283 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 76.2 tt0 -57.31 -44.22 83.95 Favored 'General case' 0 CA--C 1.552 1.02 0 CA-C-O 120.947 0.404 . . . . 0.0 110.193 -179.616 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 28.4 mmtp -62.21 -45.41 93.49 Favored 'General case' 0 CA--C 1.551 0.981 0 CA-C-N 115.965 -0.562 . . . . 0.0 111.307 179.32 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 92.3 mt-10 -64.92 -43.41 92.9 Favored 'General case' 0 N--CA 1.479 0.984 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 178.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 57.1 mtp85 -53.78 -44.6 70.21 Favored 'General case' 0 N--CA 1.481 1.117 0 N-CA-C 110.657 -0.127 . . . . 0.0 110.657 179.413 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 78.0 tt0 -61.99 -65.46 0.69 Allowed 'General case' 0 N--CA 1.479 0.975 0 N-CA-C 109.859 -0.422 . . . . 0.0 109.859 179.4 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -52.06 -40.82 61.7 Favored 'General case' 0 N--CA 1.481 1.121 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.709 -179.413 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 58.8 tp -63.13 -40.34 97.32 Favored 'General case' 0 N--CA 1.48 1.03 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.57 179.363 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -57.6 -51.76 68.2 Favored 'General case' 0 N--CA 1.482 1.172 0 CA-C-O 120.902 0.382 . . . . 0.0 110.758 -178.079 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 10.6 mp -65.36 -43.55 90.48 Favored 'General case' 0 CA--C 1.551 1.0 0 CA-C-N 115.802 -0.635 . . . . 0.0 109.861 179.072 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 65.1 m-20 -77.63 84.16 3.99 Favored 'General case' 0 N--CA 1.479 0.99 0 N-CA-C 109.3 -0.629 . . . . 0.0 109.3 179.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 72.6 m80 -62.37 -47.15 85.42 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.711 -179.707 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 94.6 p -70.04 147.96 49.42 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 115.54 -0.755 . . . . 0.0 109.408 178.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 45.9 t -62.22 -41.89 98.81 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.244 179.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.59 149.92 81.54 Favored Pre-proline 0 CA--C 1.557 1.222 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.032 -179.155 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_endo . . . . . 0 N--CA 1.513 2.619 0 C-N-CA 121.719 1.613 . . . . 0.0 110.659 178.114 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 4.6 p30 . . . . . 0 N--CA 1.493 1.722 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 21.6 m -63.76 -51.44 64.85 Favored 'General case' 0 N--CA 1.477 0.897 0 CA-C-O 120.816 0.341 . . . . 0.0 111.094 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 35.5 m -64.86 -37.68 80.81 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.218 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -167.63 156.4 9.61 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.895 179.549 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 -73.31 93.32 1.89 Allowed 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.519 179.202 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 16.6 tt -64.64 -27.57 42.84 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 CA-C-O 121.332 0.587 . . . . 0.0 109.828 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 53.3 m -55.19 -22.92 19.3 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.104 -179.648 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 74.4 mt-10 -73.96 -42.46 60.48 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 122.233 0.213 . . . . 0.0 110.713 178.353 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 95.7 p -61.3 -47.97 83.52 Favored 'General case' 0 N--CA 1.482 1.147 0 CA-C-O 120.67 0.272 . . . . 0.0 110.809 -179.234 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 59.8 mt -61.75 -43.89 97.96 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.31 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.475 ' O ' ' N ' ' A' ' 13' ' ' GLY . 78.5 mtp180 -66.39 -53.69 32.96 Favored 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 110.202 -0.296 . . . . 0.0 110.202 179.62 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 67.4 tp60 56.79 -74.56 0.02 OUTLIER 'General case' 0 CA--C 1.546 0.823 0 O-C-N 124.087 0.867 . . . . 0.0 110.73 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 11' ' ' ARG . . . 79.3 16.62 77.94 Favored Glycine 0 C--N 1.341 0.861 0 N-CA-C 110.701 -0.96 . . . . 0.0 110.701 179.505 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -77.32 -19.3 76.9 Favored Glycine 0 N--CA 1.471 1.001 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 179.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 96.23 -30.49 8.57 Favored Glycine 0 N--CA 1.483 1.817 0 N-CA-C 111.289 -0.725 . . . . 0.0 111.289 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 45.5 mtmt -120.08 127.77 52.86 Favored 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 123.314 0.646 . . . . 0.0 109.589 179.324 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.5 mt -138.49 110.83 7.42 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 -178.183 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -129.66 139.14 51.46 Favored 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 107.634 -1.247 . . . . 0.0 107.634 179.374 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 40.3 p90 -31.17 -33.88 0.01 OUTLIER 'General case' 0 C--O 1.197 -1.68 0 O-C-N 124.651 1.22 . . . . 0.0 113.018 -178.381 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -74.11 -45.87 46.32 Favored 'General case' 0 N--CA 1.478 0.926 0 CA-C-O 121.349 0.595 . . . . 0.0 112.509 -178.622 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.71 -45.9 92.44 Favored 'General case' 0 N--CA 1.484 1.228 0 CA-C-O 121.871 0.844 . . . . 0.0 111.523 -175.031 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.7 pp -75.92 -47.23 26.09 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 113.681 -1.599 . . . . 0.0 111.75 -179.711 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.1 ttt180 -59.39 -51.01 71.74 Favored 'General case' 0 N--CA 1.477 0.904 0 CA-C-O 120.959 0.409 . . . . 0.0 110.97 -177.618 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -58.37 -34.68 70.96 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.878 -179.713 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -70.96 -47.93 56.21 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-O 120.951 0.405 . . . . 0.0 110.367 177.188 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 41.4 mt -61.93 -31.45 71.77 Favored 'General case' 0 N--CA 1.501 2.121 0 CA-C-N 114.602 -1.181 . . . . 0.0 112.028 -176.622 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 34.4 ttpt -55.87 -44.89 78.51 Favored 'General case' 0 CA--C 1.554 1.123 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 178.561 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -61.81 -34.36 88.46 Favored Glycine 0 CA--C 1.535 1.331 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.914 179.239 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -70.6 2.31 4.2 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 122.918 0.487 . . . . 0.0 111.3 -179.114 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 71.46 19.86 77.96 Favored Glycine 0 N--CA 1.475 1.26 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 177.658 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -67.58 162.99 22.23 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 117.637 0.719 . . . . 0.0 110.216 179.202 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 72.3 p -94.04 159.5 15.13 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 115.282 -0.872 . . . . 0.0 109.639 -177.156 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 -60.57 -41.57 94.89 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.275 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.58 -46.87 87.67 Favored 'General case' 0 N--CA 1.476 0.862 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 -179.643 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 -68.26 -48.02 66.15 Favored 'General case' 0 N--CA 1.474 0.744 0 O-C-N 121.55 -0.719 . . . . 0.0 110.448 -178.166 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 82.7 mt -56.85 -50.44 75.22 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.867 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.737 -177.154 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -62.77 -42.07 99.52 Favored 'General case' 0 C--N 1.352 0.677 0 CA-C-O 121.55 0.691 . . . . 0.0 111.044 -177.547 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.4 -45.74 89.63 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 115.432 -0.804 . . . . 0.0 111.786 -178.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.4 mp -61.69 -46.83 95.7 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.881 0 N-CA-C 112.016 0.376 . . . . 0.0 112.016 -175.195 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -67.66 -41.05 84.37 Favored 'General case' 0 C--O 1.21 -1.003 0 CA-C-O 121.881 0.848 . . . . 0.0 109.773 -179.685 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 32.2 m -59.46 -46.45 88.74 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 114.93 -1.032 . . . . 0.0 111.287 -177.139 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -70.0 -48.38 58.38 Favored 'General case' 0 N--CA 1.44 -0.974 0 C-N-CA 120.526 -0.469 . . . . 0.0 109.979 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 13.0 m-85 -70.77 -30.17 66.59 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 120.527 -0.469 . . . . 0.0 110.915 -176.105 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -114.98 108.33 16.56 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 108.134 -1.062 . . . . 0.0 108.134 179.539 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 18.4 mm-40 -60.62 -50.85 71.85 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-O 118.932 -0.556 . . . . 0.0 111.943 -177.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 38.3 t0 -106.31 -2.15 22.61 Favored 'General case' 0 C--N 1.365 1.267 0 CA-C-N 118.835 0.743 . . . . 0.0 111.09 178.672 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 51.52 22.01 7.35 Favored Glycine 0 N--CA 1.48 1.592 0 CA-C-O 119.753 -0.471 . . . . 0.0 112.49 -179.177 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 48.3 m-20 -117.59 -13.44 10.26 Favored 'General case' 0 N--CA 1.491 1.62 0 C-N-CA 123.506 0.723 . . . . 0.0 111.763 -178.427 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.1 pp0? -123.82 158.63 31.36 Favored 'General case' 0 N--CA 1.493 1.705 0 C-N-CA 123.291 0.636 . . . . 0.0 110.956 -178.002 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -76.19 148.36 37.78 Favored 'General case' 0 C--N 1.349 0.564 0 C-N-CA 124.483 1.113 . . . . 0.0 109.567 179.056 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 19.4 mt -91.07 117.69 29.8 Favored 'General case' 0 N--CA 1.481 1.12 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.725 -177.076 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 4.7 t -80.22 -177.85 6.3 Favored 'General case' 0 CA--C 1.489 -1.377 0 N-CA-C 108.466 -0.939 . . . . 0.0 108.466 -177.103 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 72.4 mt-10 -61.52 -60.31 3.89 Favored 'General case' 0 C--N 1.311 -1.088 0 CA-C-N 114.804 -1.089 . . . . 0.0 110.894 -178.209 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 81.8 t60 -54.59 -50.81 67.12 Favored 'General case' 0 N--CA 1.485 1.303 0 C-N-CA 120.15 -0.62 . . . . 0.0 109.937 -174.684 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -59.95 -50.42 73.83 Favored 'General case' 0 C--O 1.215 -0.713 0 CA-C-N 118.327 0.512 . . . . 0.0 109.896 178.585 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 54.2 t-80 -59.59 -52.14 66.81 Favored 'General case' 0 CA--C 1.549 0.909 0 N-CA-C 112.044 0.387 . . . . 0.0 112.044 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -62.82 -34.27 76.96 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 118.007 0.367 . . . . 0.0 111.161 -179.277 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 56.5 mm-40 -63.38 -54.58 34.63 Favored 'General case' 0 N--CA 1.482 1.154 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 179.682 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 34.0 mmt -61.86 -36.95 82.76 Favored 'General case' 0 C--N 1.353 0.748 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 57.1 ttp180 -60.43 -49.42 77.63 Favored 'General case' 0 CA--C 1.552 1.043 0 C-N-CA 118.972 -1.091 . . . . 0.0 110.17 -179.316 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -60.74 -40.59 92.97 Favored 'General case' 0 N--CA 1.475 0.825 0 CA-C-O 121.289 0.566 . . . . 0.0 110.422 -179.122 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 65.2 m-20 -61.03 -40.06 92.16 Favored 'General case' 0 C--O 1.218 -0.579 0 CA-C-N 115.058 -0.974 . . . . 0.0 108.711 178.36 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.61 -49.29 77.19 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.916 -178.728 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 78.9 tt0 -57.0 -45.42 83.01 Favored 'General case' 0 CA--C 1.551 0.997 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -57.65 -45.16 85.84 Favored 'General case' 0 N--CA 1.48 1.043 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.793 179.302 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -71.66 -35.0 70.2 Favored 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 178.554 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 33.7 ttm180 -53.17 -43.17 66.87 Favored 'General case' 0 C--N 1.357 0.932 0 C-N-CA 122.614 0.365 . . . . 0.0 111.04 -178.794 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -59.63 -65.82 0.61 Allowed 'General case' 0 N--CA 1.481 1.1 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 179.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -52.36 -37.91 57.4 Favored 'General case' 0 N--CA 1.479 0.992 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.519 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 61.1 tp -61.27 -42.56 98.85 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.706 -179.176 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 68.9 m-20 -60.05 -50.71 72.66 Favored 'General case' 0 N--CA 1.48 1.064 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.101 -178.496 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 10.6 mp -65.46 -42.11 92.66 Favored 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 179.248 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -68.68 90.56 0.41 Allowed 'General case' 0 N--CA 1.477 0.911 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -71.39 -17.79 62.39 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.474 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 68.7 p 50.95 21.88 1.07 Allowed 'General case' 0 N--CA 1.472 0.647 0 CA-C-O 121.172 0.511 . . . . 0.0 110.967 -179.485 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 94.0 p -68.62 -7.43 32.91 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 115.225 -0.898 . . . . 0.0 110.3 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 11.0 mp -65.56 151.72 93.94 Favored Pre-proline 0 CA--C 1.561 1.392 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.309 -178.136 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_endo . . . . . 0 N--CA 1.505 2.202 0 C-N-CA 122.218 1.946 . . . . 0.0 110.395 179.086 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 79.8 m-20 . . . . . 0 N--CA 1.492 1.641 0 N-CA-C 109.103 -0.702 . . . . 0.0 109.103 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 20.1 m -61.71 -46.21 90.67 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-O 120.677 0.275 . . . . 0.0 110.584 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 49.9 t -62.02 -46.5 96.35 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 CA-C-N 116.125 -0.489 . . . . 0.0 109.698 -179.619 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -72.81 81.75 1.16 Allowed 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 15.9 p-10 -73.45 109.16 6.75 Favored 'General case' 0 CA--C 1.54 0.586 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 179.452 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 41.1 pt -67.96 -21.81 27.32 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.491 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 58.8 m -63.47 -6.08 4.54 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.669 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 78.2 tt0 -68.36 -40.97 81.32 Favored 'General case' 0 N--CA 1.471 0.602 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 179.372 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 62.5 m -61.67 -43.01 99.66 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.999 -179.583 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 9.0 mp -62.84 -43.54 98.52 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 116.167 -0.47 . . . . 0.0 109.992 -179.163 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.498 ' O ' ' N ' ' A' ' 13' ' ' GLY . 37.7 ttm180 -71.32 -54.77 9.68 Favored 'General case' 0 C--N 1.349 0.565 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 -178.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 54.59 -76.95 0.01 OUTLIER 'General case' 0 CA--C 1.551 0.986 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.873 -179.496 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.498 ' N ' ' O ' ' A' ' 11' ' ' ARG . . . 78.5 16.61 79.12 Favored Glycine 0 C--N 1.342 0.865 0 N-CA-C 110.644 -0.982 . . . . 0.0 110.644 179.657 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -79.27 -7.7 88.29 Favored Glycine 0 N--CA 1.469 0.866 0 N-CA-C 111.125 -0.79 . . . . 0.0 111.125 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 82.03 -70.42 3.14 Favored Glycine 0 N--CA 1.475 1.282 0 N-CA-C 110.694 -0.962 . . . . 0.0 110.694 -179.666 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 41.6 mtmt -73.58 110.94 8.26 Favored 'General case' 0 N--CA 1.465 0.281 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 179.528 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.8 tp -147.39 129.4 15.43 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 -178.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.426 ' O ' ' N ' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -139.13 151.07 46.36 Favored 'General case' 0 N--CA 1.476 0.855 0 N-CA-C 107.882 -1.155 . . . . 0.0 107.882 -179.834 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 38.4 p90 -31.09 -35.18 0.01 OUTLIER 'General case' 0 N--CA 1.479 1.005 0 O-C-N 124.452 1.095 . . . . 0.0 112.07 -179.089 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -73.98 -45.51 49.59 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 112.41 0.522 . . . . 0.0 112.41 179.331 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.426 ' N ' ' O ' ' A' ' 18' ' ' ASN . 38.4 mt-10 -60.43 -45.05 95.05 Favored 'General case' 0 N--CA 1.481 1.12 0 CA-C-O 121.241 0.543 . . . . 0.0 112.35 -176.358 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.6 pp -75.31 -47.14 29.17 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.324 -0.853 . . . . 0.0 111.165 178.617 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 51.6 ttp180 -59.22 -51.72 68.79 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-O 120.992 0.425 . . . . 0.0 112.001 -176.729 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 54.1 mm-40 -56.71 -35.82 68.95 Favored 'General case' 0 C--N 1.313 -0.989 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.311 -177.236 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -71.69 -48.34 48.06 Favored 'General case' 0 N--CA 1.445 -0.7 0 CA-C-O 121.485 0.66 . . . . 0.0 110.408 175.208 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 23.3 mt -64.15 -33.17 75.18 Favored 'General case' 0 N--CA 1.492 1.639 0 CA-C-N 114.748 -1.114 . . . . 0.0 111.67 -176.269 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.4 ttmm -54.66 -45.93 73.94 Favored 'General case' 0 CA--C 1.551 0.997 0 CA-C-O 121.63 0.729 . . . . 0.0 109.549 178.468 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -61.11 -35.78 91.34 Favored Glycine 0 CA--C 1.535 1.303 0 CA-C-N 115.109 -0.95 . . . . 0.0 111.489 178.705 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -70.0 -1.17 8.97 Favored 'General case' 0 N--CA 1.482 1.174 0 CA-C-O 121.041 0.448 . . . . 0.0 111.071 -179.37 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 72.17 19.58 78.65 Favored Glycine 0 N--CA 1.464 0.524 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.706 177.56 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -66.33 162.84 19.38 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 117.826 0.813 . . . . 0.0 109.407 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 46.1 p -94.58 161.09 14.35 Favored 'General case' 0 CA--C 1.506 -0.723 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.642 -176.425 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 14.8 p-10 -60.56 -40.37 91.4 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.261 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.76 -47.39 85.89 Favored 'General case' 0 C--N 1.352 0.694 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -68.64 -44.58 73.88 Favored 'General case' 0 N--CA 1.471 0.611 0 O-C-N 121.525 -0.734 . . . . 0.0 110.488 -177.449 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 83.3 mt -60.88 -50.64 79.72 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.632 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.818 -177.692 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -61.59 -41.54 97.58 Favored 'General case' 0 C--N 1.354 0.767 0 CA-C-O 121.737 0.78 . . . . 0.0 111.306 -176.131 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.56 -44.97 80.87 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.02 -0.991 . . . . 0.0 110.987 -179.355 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.2 mp -61.59 -47.96 90.96 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.085 0 C-N-CA 120.561 -0.456 . . . . 0.0 111.841 -173.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -67.56 -42.78 82.07 Favored 'General case' 0 CA--C 1.506 -0.73 0 CA-C-O 121.702 0.763 . . . . 0.0 110.51 -178.614 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 14.6 m -58.37 -45.32 88.49 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 113.792 -1.549 . . . . 0.0 111.287 -176.073 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 60.5 tttp -68.2 -49.74 58.79 Favored 'General case' 0 N--CA 1.441 -0.894 0 C-N-CA 120.037 -0.665 . . . . 0.0 110.766 -177.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -74.63 -32.42 62.3 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 120.112 -0.635 . . . . 0.0 111.509 -177.018 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -103.89 110.03 22.01 Favored 'General case' 0 N--CA 1.479 1.002 0 N-CA-C 106.749 -1.574 . . . . 0.0 106.749 178.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 15.6 mm-40 -63.83 -50.54 68.48 Favored 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 112.302 0.482 . . . . 0.0 112.302 -176.009 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 63.6 m-20 -106.19 -2.07 22.9 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-N 118.791 0.723 . . . . 0.0 110.918 178.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 50.64 21.75 5.05 Favored Glycine 0 N--CA 1.476 1.344 0 C-N-CA 121.711 -0.28 . . . . 0.0 112.921 -178.212 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -117.62 -8.7 10.89 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 123.475 0.71 . . . . 0.0 111.828 -179.05 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -127.25 165.26 19.98 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 123.156 0.582 . . . . 0.0 110.177 -177.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 86.7 mt-10 -75.65 147.82 39.2 Favored 'General case' 0 N--CA 1.448 -0.553 0 C-N-CA 123.99 0.916 . . . . 0.0 108.877 179.483 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 42.6 tp -90.64 121.8 32.87 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-O 121.394 0.616 . . . . 0.0 109.937 -177.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.3 t -80.3 178.67 8.13 Favored 'General case' 0 CA--C 1.49 -1.337 0 CA-C-N 114.84 -1.073 . . . . 0.0 109.032 -177.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.508 ' O ' ' NE2' ' A' ' 57' ' ' GLN . 14.9 pt-20 -76.72 -49.77 15.22 Favored 'General case' 0 N--CA 1.431 -1.377 0 CA-C-N 113.079 -1.873 . . . . 0.0 110.532 -177.301 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 85.8 t60 -53.93 -50.9 65.41 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 119.884 -0.727 . . . . 0.0 109.866 -174.58 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 91.4 mt-10 -61.38 -46.44 90.16 Favored 'General case' 0 C--O 1.219 -0.533 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 177.576 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 23.9 t-80 -56.76 -50.13 73.19 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 121.014 -0.274 . . . . 0.0 111.251 -179.639 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.508 ' NE2' ' O ' ' A' ' 53' ' ' GLU . 1.2 mp0 -53.12 -41.09 64.7 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 120.7 -0.4 . . . . 0.0 111.223 -179.375 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 83.3 mt-30 -63.57 -53.74 46.96 Favored 'General case' 0 N--CA 1.48 1.028 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 179.644 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 36.4 mmt -60.16 -36.73 78.21 Favored 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 122.822 0.449 . . . . 0.0 110.222 179.559 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 69.2 ttp85 -59.66 -48.83 80.13 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 120.046 -0.662 . . . . 0.0 109.695 -178.41 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 74.7 m-20 -60.58 -36.62 78.98 Favored 'General case' 0 C--N 1.346 0.456 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 59.7 m-20 -67.69 -37.59 82.5 Favored 'General case' 0 C--N 1.342 0.26 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 179.186 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.5 tt -59.99 -50.11 75.02 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.674 -179.074 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 71.4 mt-10 -57.22 -44.1 83.44 Favored 'General case' 0 CA--C 1.55 0.971 0 N-CA-C 110.098 -0.334 . . . . 0.0 110.098 178.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -62.35 -46.26 89.46 Favored 'General case' 0 N--CA 1.478 0.972 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.854 179.386 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 69.6 mt-10 -65.69 -37.41 86.37 Favored 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 110.102 -0.333 . . . . 0.0 110.102 179.291 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 32.0 ttm180 -49.5 -26.28 3.29 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-O 120.753 0.311 . . . . 0.0 111.328 -179.419 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 70.0 mm-40 -73.68 -64.23 1.04 Allowed 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 109.457 -0.572 . . . . 0.0 109.457 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 60.9 m-20 -62.52 -17.12 59.12 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.516 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 56.9 tp -64.16 -41.56 97.11 Favored 'General case' 0 N--CA 1.478 0.934 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.163 179.611 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 66.3 m-20 -61.56 -36.75 81.51 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.242 -178.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -71.81 85.71 0.94 Allowed 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.622 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 -76.99 106.38 8.64 Favored 'General case' 0 CA--C 1.535 0.385 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 178.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 25.4 p-80 -69.73 -18.68 63.53 Favored 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 87.3 p -79.47 -5.51 54.92 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.444 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 47.2 t -61.02 -41.98 97.59 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-O 120.617 0.246 . . . . 0.0 111.15 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.15 151.53 63.34 Favored Pre-proline 0 CA--C 1.555 1.156 0 CA-C-O 118.693 -0.67 . . . . 0.0 109.748 -179.571 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_exo . . . . . 0 N--CA 1.516 2.848 0 C-N-CA 122.568 2.179 . . . . 0.0 113.121 177.297 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 74.9 m-20 . . . . . 0 N--CA 1.491 1.582 0 N-CA-C 109.168 -0.679 . . . . 0.0 109.168 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.9 t -62.39 -10.5 11.58 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.826 179.55 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 14.5 p -61.01 -34.18 58.86 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 CA-C-O 121.001 0.429 . . . . 0.0 110.41 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 66.4 m-20 -63.95 155.81 29.77 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 115.551 -0.749 . . . . 0.0 109.783 179.733 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 15.2 p-10 -164.74 33.17 0.07 Allowed 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 -178.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 61.5 mt -65.9 -42.5 92.11 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 179.755 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 69.3 m -60.11 -4.19 0.74 Allowed 'General case' 0 N--CA 1.472 0.665 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.541 -179.635 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 76.9 tt0 -71.32 -43.62 66.7 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 110.195 -0.298 . . . . 0.0 110.195 178.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 95.1 p -63.79 -47.44 80.91 Favored 'General case' 0 N--CA 1.48 1.046 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.059 -179.08 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 29.1 mt -61.58 -42.94 99.58 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.799 -179.435 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.471 ' O ' ' N ' ' A' ' 13' ' ' GLY . 70.7 ttt-85 -63.81 -53.86 44.17 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 115.894 -0.593 . . . . 0.0 109.827 -179.768 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 48.2 tt0 58.42 -71.73 0.02 OUTLIER 'General case' 0 CA--C 1.546 0.807 0 O-C-N 124.386 1.054 . . . . 0.0 110.57 -179.675 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' A' ' 11' ' ' ARG . . . 101.37 -7.3 56.24 Favored Glycine 0 N--CA 1.476 1.32 0 N-CA-C 110.765 -0.934 . . . . 0.0 110.765 179.479 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.9 -50.65 57.11 Favored Glycine 0 CA--C 1.53 0.969 0 N-CA-C 110.654 -0.978 . . . . 0.0 110.654 179.15 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 107.8 -71.55 0.21 Allowed Glycine 0 N--CA 1.483 1.81 0 N-CA-C 110.418 -1.073 . . . . 0.0 110.418 -179.435 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.8 mtpm? -65.78 126.78 29.54 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 179.743 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.4 mt -154.1 133.72 12.87 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 -179.176 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.41 ' O ' ' N ' ' A' ' 21' ' ' GLU . 9.6 t30 -123.27 139.88 53.59 Favored 'General case' 0 C--N 1.332 -0.176 0 N-CA-C 107.299 -1.371 . . . . 0.0 107.299 178.426 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 54.4 p90 -31.01 -37.82 0.02 OUTLIER 'General case' 0 C--O 1.205 -1.289 0 C-N-CA 123.942 0.897 . . . . 0.0 112.566 -177.449 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -72.59 -45.2 60.27 Favored 'General case' 0 N--CA 1.479 1.017 0 CA-C-O 121.143 0.497 . . . . 0.0 112.033 179.193 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.41 ' N ' ' O ' ' A' ' 18' ' ' ASN . 63.7 mm-40 -60.09 -47.85 84.16 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 112.702 0.63 . . . . 0.0 112.702 -177.439 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.8 pp -75.58 -47.01 28.55 Favored 'General case' 0 C--N 1.313 -0.989 0 CA-C-N 115.686 -0.688 . . . . 0.0 112.153 178.445 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.2 ttt85 -60.63 -52.49 64.91 Favored 'General case' 0 N--CA 1.485 1.311 0 CA-C-O 121.448 0.642 . . . . 0.0 112.292 -175.6 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 64.8 mm-40 -60.0 -34.17 72.97 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 115.084 -0.962 . . . . 0.0 111.93 -177.481 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 -71.69 -48.0 50.31 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.828 176.109 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 26.3 mt -62.14 -31.39 71.87 Favored 'General case' 0 N--CA 1.494 1.735 0 CA-C-N 115.249 -0.887 . . . . 0.0 111.541 -177.611 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.1 ttmm -54.89 -45.5 74.69 Favored 'General case' 0 CA--C 1.557 1.225 0 CA-C-O 121.101 0.477 . . . . 0.0 109.796 178.732 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -62.06 -34.07 87.79 Favored Glycine 0 CA--C 1.534 1.224 0 CA-C-N 115.505 -0.77 . . . . 0.0 111.911 179.482 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -70.63 2.8 3.66 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 123.025 0.53 . . . . 0.0 111.279 -178.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 71.3 19.89 77.8 Favored Glycine 0 N--CA 1.468 0.79 0 N-CA-C 111.288 -0.725 . . . . 0.0 111.288 177.222 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -67.9 162.51 24.05 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 117.465 0.632 . . . . 0.0 109.828 179.567 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.407 ' HG1' ' H ' ' A' ' 35' ' ' GLU . 70.4 p -92.23 158.84 15.92 Favored 'General case' 0 C--O 1.217 -0.645 0 CA-C-N 115.694 -0.684 . . . . 0.0 109.725 -177.013 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 -61.93 -43.35 99.03 Favored 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 110.201 -0.296 . . . . 0.0 110.201 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.18 -46.65 87.84 Favored 'General case' 0 N--CA 1.47 0.572 0 O-C-N 123.429 0.456 . . . . 0.0 110.057 -179.521 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.407 ' H ' ' HG1' ' A' ' 32' ' ' THR . 67.5 mm-40 -67.71 -47.1 70.33 Favored 'General case' 0 N--CA 1.471 0.593 0 O-C-N 121.524 -0.735 . . . . 0.0 110.426 -178.259 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 81.4 mt -58.51 -50.3 79.33 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.82 0 CA-C-N 115.582 -0.735 . . . . 0.0 111.148 -177.469 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -64.2 -40.52 96.24 Favored 'General case' 0 C--N 1.35 0.587 0 CA-C-O 121.948 0.88 . . . . 0.0 111.454 -177.407 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.58 -44.76 81.35 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 115.024 -0.989 . . . . 0.0 110.759 -179.181 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.2 mp -61.43 -46.74 95.97 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.993 0 N-CA-C 112.303 0.483 . . . . 0.0 112.303 -173.308 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -68.27 -40.78 81.79 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.896 0.855 . . . . 0.0 110.825 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 15.8 m -59.11 -44.79 92.0 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 114.464 -1.243 . . . . 0.0 111.158 -175.712 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -67.94 -49.56 61.07 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.012 -179.212 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.428 ' CG ' ' SD ' ' A' ' 59' ' ' MET . 14.7 m-85 -73.87 -31.5 63.19 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 120.377 -0.529 . . . . 0.0 111.275 -177.643 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -106.61 104.56 14.27 Favored 'General case' 0 N--CA 1.48 1.049 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 178.234 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 20.6 mm-40 -60.49 -50.32 74.04 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 116.07 -0.514 . . . . 0.0 112.06 -176.223 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 64.1 m-20 -104.8 -1.53 25.99 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-N 118.369 0.531 . . . . 0.0 111.208 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 54.29 20.98 17.74 Favored Glycine 0 N--CA 1.477 1.411 0 CA-C-O 119.985 -0.342 . . . . 0.0 112.306 -178.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -118.79 -11.5 9.77 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 123.585 0.754 . . . . 0.0 111.853 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.5 pp0? -117.73 152.33 35.49 Favored 'General case' 0 N--CA 1.481 1.119 0 CA-C-O 121.618 0.723 . . . . 0.0 111.324 -177.292 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 70.3 mt-10 -76.65 148.48 36.87 Favored 'General case' 0 C--O 1.235 0.311 0 C-N-CA 124.866 1.266 . . . . 0.0 108.599 178.548 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 84.7 mt -90.33 117.56 29.14 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-O 121.711 0.767 . . . . 0.0 109.683 -176.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.0 t -80.0 -178.17 6.36 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-N 114.65 -1.159 . . . . 0.0 108.824 -176.633 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 71.2 mt-10 -63.97 -58.74 5.82 Favored 'General case' 0 C--N 1.311 -1.069 0 CA-C-N 114.262 -1.335 . . . . 0.0 110.581 -178.065 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -54.12 -50.07 67.74 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 119.975 -0.69 . . . . 0.0 109.882 -174.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 41.3 tp10 -60.28 -48.5 81.46 Favored 'General case' 0 CA--C 1.535 0.377 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 178.658 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -61.93 -50.37 72.43 Favored 'General case' 0 CA--C 1.546 0.819 0 O-C-N 123.552 0.532 . . . . 0.0 111.72 -179.365 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -63.26 -34.44 77.68 Favored 'General case' 0 CA--C 1.547 0.858 0 O-C-N 121.505 -0.747 . . . . 0.0 111.267 -179.069 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 62.7 mt-30 -62.02 -55.18 31.86 Favored 'General case' 0 N--CA 1.484 1.241 0 N-CA-C 110.035 -0.358 . . . . 0.0 110.035 -179.739 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.428 ' SD ' ' CG ' ' A' ' 43' ' ' TYR . 14.1 ptm -62.11 -34.48 76.41 Favored 'General case' 0 C--N 1.343 0.312 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 179.164 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 58.2 ttp180 -59.33 -48.41 81.72 Favored 'General case' 0 C--N 1.365 1.271 0 C-N-CA 119.8 -0.76 . . . . 0.0 109.494 -175.489 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 75.7 m-20 -60.16 -36.05 76.7 Favored 'General case' 0 C--O 1.222 -0.359 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 178.705 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -69.63 -38.11 77.07 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 179.722 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 6.2 tp -62.75 -50.46 70.99 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.142 -178.752 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 74.2 mt-10 -57.68 -45.65 85.33 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-O 121.454 0.645 . . . . 0.0 109.967 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 56.0 mtpt -56.58 -38.4 71.95 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.201 179.668 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.63 -43.83 85.13 Favored 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 109.465 -0.569 . . . . 0.0 109.465 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 80.8 mtm180 -57.26 -54.58 45.16 Favored 'General case' 0 N--CA 1.479 0.976 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.791 -176.423 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -67.92 -30.61 69.97 Favored 'General case' 0 N--CA 1.48 1.065 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.294 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -69.9 -47.75 61.3 Favored 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 108.96 -0.756 . . . . 0.0 108.96 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 6.5 tp -57.17 -45.06 83.99 Favored 'General case' 0 N--CA 1.482 1.169 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.344 -177.344 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 65.9 m-20 -58.11 -58.72 7.21 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.73 179.189 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 59.0 tp -56.44 -46.98 80.03 Favored 'General case' 0 N--CA 1.477 0.905 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.053 -179.078 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 76.4 m-20 -74.18 84.22 1.85 Allowed 'General case' 0 N--CA 1.466 0.362 0 N-CA-C 109.06 -0.718 . . . . 0.0 109.06 179.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 83.7 t60 -65.45 -45.67 82.89 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-O 121.137 0.494 . . . . 0.0 109.857 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 45.9 t -166.9 171.39 11.3 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.725 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 49.2 m -162.02 12.02 0.08 Allowed 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.572 -179.749 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 11.0 mp -63.31 150.66 88.91 Favored Pre-proline 0 CA--C 1.559 1.303 0 CA-C-O 119.574 -0.251 . . . . 0.0 110.513 -178.086 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_endo . . . . . 0 N--CA 1.506 2.257 0 C-N-CA 122.103 1.869 . . . . 0.0 110.431 179.296 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 22.0 p30 . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 71.6 p -63.76 -34.02 76.96 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.287 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 22.5 t -66.48 84.76 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 179.706 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 49.7 p-10 -144.75 172.27 13.24 Favored 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 -179.748 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 16.8 p-10 -66.23 123.09 18.99 Favored 'General case' 0 CA--C 1.544 0.738 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.073 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 33.4 pt -132.65 -28.26 0.63 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.27 0 C-N-CA 123.48 0.712 . . . . 0.0 110.091 -179.745 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 59.1 m -64.62 -21.21 66.66 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-O 120.903 0.383 . . . . 0.0 110.479 179.724 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -68.52 -35.12 77.04 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.3 179.524 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 47.4 m -60.33 -48.44 81.72 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-O 120.623 0.249 . . . . 0.0 110.661 -179.48 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 33.3 mt -62.54 -43.38 98.95 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.974 179.487 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.434 ' O ' ' N ' ' A' ' 13' ' ' GLY . 57.9 ttm-85 -63.71 -52.87 58.63 Favored 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 -179.729 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 59.5 tp60 61.89 -70.76 0.05 OUTLIER 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 115.106 -0.952 . . . . 0.0 110.195 -179.704 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 11' ' ' ARG . . . 69.81 -1.56 15.67 Favored Glycine 0 N--CA 1.469 0.877 0 N-CA-C 110.712 -0.955 . . . . 0.0 110.712 179.563 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.67 -34.4 89.8 Favored Glycine 0 C--N 1.339 0.717 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 179.671 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 99.56 -73.79 0.49 Allowed Glycine 0 N--CA 1.472 1.07 0 N-CA-C 110.288 -1.125 . . . . 0.0 110.288 -179.542 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 45.5 mmtm -80.85 125.47 30.14 Favored 'General case' 0 N--CA 1.477 0.894 0 CA-C-O 121.093 0.473 . . . . 0.0 110.539 179.764 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.5 pp -161.33 150.1 16.05 Favored 'General case' 0 N--CA 1.437 -1.125 0 CA-C-N 115.24 -0.891 . . . . 0.0 109.384 179.433 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.447 ' ND2' ' N ' ' A' ' 18' ' ' ASN . 0.1 OUTLIER -133.06 144.58 50.11 Favored 'General case' 0 C--N 1.318 -0.763 0 C-N-CA 124.011 0.924 . . . . 0.0 108.984 179.23 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 43.0 p90 -31.28 -33.23 0.01 OUTLIER 'General case' 0 C--O 1.202 -1.446 0 C-N-CA 124.243 1.017 . . . . 0.0 112.649 -178.744 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -73.52 -44.88 56.61 Favored 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 111.869 0.322 . . . . 0.0 111.869 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.419 ' N ' ' O ' ' A' ' 18' ' ' ASN . 0.0 OUTLIER -60.44 -45.64 92.92 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-O 121.3 0.571 . . . . 0.0 111.52 -175.477 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.2 pp -76.72 -47.04 23.1 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.069 -0.969 . . . . 0.0 111.427 -179.559 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.9 ttt180 -59.88 -50.01 75.47 Favored 'General case' 0 N--CA 1.477 0.91 0 CA-C-N 116.4 -0.363 . . . . 0.0 111.328 -176.11 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -56.16 -35.0 66.69 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.71 -178.704 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -72.18 -48.69 41.37 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 123.554 0.742 . . . . 0.0 112.906 177.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 47.7 mt -61.35 -31.24 71.12 Favored 'General case' 0 N--CA 1.483 1.206 0 CA-C-N 115.137 -0.938 . . . . 0.0 111.035 -176.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 31.6 ttmt -55.39 -45.0 76.64 Favored 'General case' 0 CA--C 1.548 0.89 0 CA-C-O 121.408 0.623 . . . . 0.0 109.509 178.532 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -62.03 -35.49 91.52 Favored Glycine 0 CA--C 1.53 0.972 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.353 179.616 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt -70.39 1.46 4.97 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 121.022 0.439 . . . . 0.0 110.991 -179.107 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 71.82 19.87 78.38 Favored Glycine 0 N--CA 1.465 0.585 0 CA-C-N 115.516 -0.766 . . . . 0.0 111.916 177.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -67.59 162.36 23.65 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 118.094 0.947 . . . . 0.0 109.94 179.169 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.438 ' HG1' ' H ' ' A' ' 35' ' ' GLU . 63.0 p -92.82 160.84 14.76 Favored 'General case' 0 CA--C 1.506 -0.726 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.631 -177.045 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 15.6 p-10 -60.52 -41.26 94.04 Favored 'General case' 0 N--CA 1.463 0.205 0 N-CA-C 110.162 -0.31 . . . . 0.0 110.162 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.72 -47.16 86.75 Favored 'General case' 0 CA--C 1.539 0.521 0 O-C-N 123.497 0.498 . . . . 0.0 109.968 -179.774 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.438 ' H ' ' HG1' ' A' ' 32' ' ' THR . 75.8 mt-10 -67.61 -47.9 68.36 Favored 'General case' 0 N--CA 1.472 0.636 0 O-C-N 121.568 -0.707 . . . . 0.0 110.349 -178.329 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 79.5 mt -57.82 -50.62 77.08 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.841 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.9 -176.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -64.77 -42.11 95.36 Favored 'General case' 0 C--N 1.351 0.656 0 CA-C-O 121.78 0.8 . . . . 0.0 111.762 -177.023 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.93 -44.6 88.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.421 -0.809 . . . . 0.0 111.242 -179.052 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.2 mp -61.5 -47.33 93.92 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.694 0 C-N-CA 120.257 -0.577 . . . . 0.0 112.315 -173.426 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -67.51 -41.77 83.92 Favored 'General case' 0 CA--C 1.507 -0.691 0 CA-C-O 122.221 1.01 . . . . 0.0 110.707 -179.405 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 24.0 m -59.73 -43.97 93.98 Favored 'General case' 0 N--CA 1.442 -0.84 0 CA-C-N 113.391 -1.731 . . . . 0.0 111.124 -177.26 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 61.0 tttp -65.73 -50.11 66.0 Favored 'General case' 0 N--CA 1.442 -0.86 0 C-N-CA 119.587 -0.845 . . . . 0.0 110.402 -178.06 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 29.8 m-85 -73.82 -32.72 63.85 Favored 'General case' 0 C--N 1.356 0.863 0 C-N-CA 118.994 -1.082 . . . . 0.0 110.583 -177.506 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -100.77 103.86 15.1 Favored 'General case' 0 N--CA 1.487 1.421 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 178.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 19.2 mm-40 -60.97 -50.75 72.12 Favored 'General case' 0 C--O 1.239 0.542 0 N-CA-C 112.665 0.617 . . . . 0.0 112.665 -175.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 65.6 m-20 -105.82 -2.34 23.23 Favored 'General case' 0 N--CA 1.485 1.304 0 CA-C-N 119.028 0.831 . . . . 0.0 111.401 179.246 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 45.85 31.64 4.14 Favored Glycine 0 N--CA 1.482 1.738 0 C-N-CA 121.88 -0.2 . . . . 0.0 113.261 -179.679 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -115.42 -15.08 11.56 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 123.24 0.616 . . . . 0.0 111.568 -178.084 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.0 pm0 -132.07 173.94 10.7 Favored 'General case' 0 N--CA 1.484 1.263 0 CA-C-O 121.37 0.605 . . . . 0.0 110.819 -178.368 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 67.4 mt-10 -75.47 147.58 39.74 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 179.784 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 19.6 tp -90.55 121.9 32.89 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 -177.162 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 6.6 t -80.01 179.91 7.35 Favored 'General case' 0 CA--C 1.499 -0.998 0 CA-C-N 115.228 -0.896 . . . . 0.0 109.987 -177.007 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 72.5 mt-10 -75.25 -50.97 14.43 Favored 'General case' 0 N--CA 1.44 -0.96 0 CA-C-N 113.497 -1.683 . . . . 0.0 110.646 -178.138 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 84.3 t60 -54.61 -50.63 67.6 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 119.858 -0.737 . . . . 0.0 109.76 -174.323 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 90.0 mt-10 -60.94 -50.71 72.31 Favored 'General case' 0 C--O 1.219 -0.53 0 CA-C-N 118.327 0.512 . . . . 0.0 109.742 178.099 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 73.9 t60 -59.96 -53.76 54.1 Favored 'General case' 0 CA--C 1.547 0.839 0 N-CA-C 112.422 0.527 . . . . 0.0 112.422 -178.633 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -56.78 -39.99 75.08 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 118.442 0.565 . . . . 0.0 111.877 -178.732 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 81.8 mt-30 -63.25 -54.17 41.54 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 179.675 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 34.3 mmt -63.95 -34.71 78.6 Favored 'General case' 0 C--N 1.346 0.423 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 179.626 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 59.2 ttp180 -59.1 -48.2 82.47 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 119.572 -0.851 . . . . 0.0 109.667 -178.526 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -60.51 -36.32 78.07 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-O 121.512 0.672 . . . . 0.0 109.904 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 48.6 m-20 -68.43 -39.81 81.4 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 114.853 -1.067 . . . . 0.0 109.086 178.613 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 40.7 tp -59.73 -48.53 81.31 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.423 -179.284 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -56.93 -44.26 82.28 Favored 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 31.1 tptt -59.83 -42.85 94.45 Favored 'General case' 0 CA--C 1.546 0.793 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.597 179.142 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -65.72 -44.49 85.88 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-N 116.117 -0.492 . . . . 0.0 109.869 179.593 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -53.49 -44.39 68.99 Favored 'General case' 0 N--CA 1.48 1.068 0 N-CA-C 110.623 -0.14 . . . . 0.0 110.623 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 79.1 tt0 -62.53 -65.51 0.68 Allowed 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 179.702 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -52.21 -44.07 64.57 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.71 -179.385 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 61.6 tp -60.04 -40.52 89.65 Favored 'General case' 0 N--CA 1.478 0.945 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.099 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -60.43 -54.12 49.37 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-O 120.879 0.371 . . . . 0.0 110.125 -178.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.406 ' C ' ' H ' ' A' ' 74' ' ' HIS . 65.2 mt -65.16 -43.32 92.15 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.387 179.504 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 66.4 m-20 -77.77 41.08 0.33 Allowed 'General case' 0 N--CA 1.475 0.823 0 CA-C-O 121.201 0.524 . . . . 0.0 109.798 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.406 ' H ' ' C ' ' A' ' 72' ' ' LEU . 74.1 t60 -156.23 -65.73 0.11 Allowed 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.849 179.8 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 68.4 m 55.78 -83.04 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.904 0 O-C-N 123.348 0.405 . . . . 0.0 110.685 -178.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.405 ' N ' ' O ' ' A' ' 74' ' ' HIS . 95.9 p -162.28 -2.59 0.04 OUTLIER 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 116.082 -0.508 . . . . 0.0 109.704 179.08 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 54.9 mt -68.88 144.34 95.7 Favored Pre-proline 0 CA--C 1.556 1.205 0 CA-C-O 118.873 -0.584 . . . . 0.0 110.975 -178.428 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo . . . . . 0 N--CA 1.511 2.547 0 C-N-CA 122.032 1.821 . . . . 0.0 110.906 179.606 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 55.2 t30 . . . . . 0 N--CA 1.493 1.71 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 71.5 p -61.42 -10.3 7.22 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.642 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 55.8 t -64.16 -44.86 97.63 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 179.185 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -77.51 118.83 20.32 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 -179.745 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 70.7 m-20 -72.39 84.16 1.09 Allowed 'General case' 0 CA--C 1.535 0.402 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 16.4 tt -60.89 -34.95 61.51 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 CA-C-O 120.89 0.376 . . . . 0.0 110.033 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 96.9 p -64.08 -14.8 57.21 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.934 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -70.33 -37.37 74.67 Favored 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 110.059 -0.348 . . . . 0.0 110.059 179.361 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 79.5 p -60.22 -48.11 83.11 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 116.614 -0.266 . . . . 0.0 110.845 -179.275 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -64.01 -44.26 93.15 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 121.104 -0.239 . . . . 0.0 111.178 179.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 91.1 mtm180 -71.39 -53.43 14.13 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-O 120.779 0.323 . . . . 0.0 111.042 -178.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 9.7 tp-100 -79.52 143.14 35.13 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.51 -178.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 69.53 18.18 73.45 Favored Glycine 0 C--N 1.339 0.705 0 N-CA-C 110.593 -1.003 . . . . 0.0 110.593 179.487 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.555 ' O ' ' N ' ' A' ' 16' ' ' LYS . . . -62.63 -115.32 0.01 OUTLIER Glycine 0 CA--C 1.533 1.185 0 N-CA-C 110.521 -1.032 . . . . 0.0 110.521 -179.772 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 51.53 -75.25 0.01 OUTLIER Glycine 0 N--CA 1.479 1.552 0 CA-C-N 117.612 0.706 . . . . 0.0 111.699 -179.484 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.555 ' N ' ' O ' ' A' ' 14' ' ' GLY . 55.7 tttp -120.85 130.09 53.8 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 108.376 -0.972 . . . . 0.0 108.376 176.829 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.5 mt -148.1 130.47 15.68 Favored 'General case' 0 N--CA 1.477 0.89 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 179.043 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.418 ' O ' ' N ' ' A' ' 21' ' ' GLU . 6.4 t30 -128.79 141.61 51.25 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 107.473 -1.306 . . . . 0.0 107.473 178.046 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 55.3 p90 -30.66 -35.64 0.01 OUTLIER 'General case' 0 C--O 1.207 -1.17 0 O-C-N 124.013 0.821 . . . . 0.0 112.321 -177.092 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.41 ' H ' ' ND2' ' A' ' 18' ' ' ASN . 18.1 t70 -72.9 -45.47 58.01 Favored 'General case' 0 N--CA 1.476 0.855 0 N-CA-C 112.466 0.543 . . . . 0.0 112.466 179.205 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.418 ' N ' ' O ' ' A' ' 18' ' ' ASN . 69.1 mm-40 -59.78 -47.31 86.2 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 112.714 0.635 . . . . 0.0 112.714 -177.741 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.2 pp -75.71 -46.82 28.97 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 115.529 -0.759 . . . . 0.0 112.659 179.092 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 11.3 ttm180 -61.64 -49.99 74.35 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-O 121.335 0.588 . . . . 0.0 111.468 -175.701 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 56.7 mm-40 -61.75 -34.36 75.71 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.595 -178.473 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -71.25 -48.82 48.72 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.698 0.761 . . . . 0.0 110.094 176.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 23.0 mt -63.14 -31.62 72.8 Favored 'General case' 0 N--CA 1.49 1.525 0 CA-C-N 114.521 -1.218 . . . . 0.0 111.463 -177.385 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 34.9 ttpt -55.27 -44.81 75.97 Favored 'General case' 0 CA--C 1.556 1.21 0 CA-C-O 121.214 0.53 . . . . 0.0 110.033 178.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.412 ' C ' ' H ' ' A' ' 30' ' ' GLY . . . -63.48 -33.51 87.44 Favored Glycine 0 CA--C 1.531 1.085 0 CA-C-N 115.916 -0.584 . . . . 0.0 112.055 179.464 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -70.56 6.49 1.4 Allowed 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 122.638 0.375 . . . . 0.0 111.409 -178.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.412 ' H ' ' C ' ' A' ' 28' ' ' GLY . . . 70.13 19.83 75.97 Favored Glycine 0 N--CA 1.464 0.552 0 N-CA-C 111.518 -0.633 . . . . 0.0 111.518 177.088 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -69.98 162.78 27.44 Favored 'General case' 0 C--N 1.345 0.38 0 CA-C-N 117.752 0.776 . . . . 0.0 109.93 179.523 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 68.3 p -96.3 160.36 14.47 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.067 -177.365 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 15.5 p-10 -61.08 -40.53 94.05 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.408 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.29 -46.6 89.28 Favored 'General case' 0 C--N 1.35 0.609 0 C-N-CA 120.429 -0.508 . . . . 0.0 109.797 -179.69 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 71.0 mm-40 -69.14 -48.11 63.27 Favored 'General case' 0 N--CA 1.474 0.732 0 O-C-N 121.574 -0.703 . . . . 0.0 110.39 -178.176 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 81.6 mt -57.72 -50.2 78.27 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.798 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.244 -177.577 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -64.58 -36.96 85.93 Favored 'General case' 0 C--N 1.346 0.449 0 CA-C-O 121.099 0.476 . . . . 0.0 111.047 -178.254 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.94 -45.42 77.87 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.764 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.4 mp -61.62 -47.04 95.18 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.888 0 C-N-CA 119.927 -0.709 . . . . 0.0 112.063 -175.189 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -67.74 -40.68 84.11 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.175 0.512 . . . . 0.0 109.818 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 14.0 m -59.03 -46.37 88.38 Favored 'General case' 0 C--N 1.345 0.392 0 CA-C-N 115.628 -0.715 . . . . 0.0 111.204 -176.03 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 54.8 mtmt -71.59 -48.61 47.11 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.16 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -71.71 -29.49 64.61 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-O 119.696 -0.193 . . . . 0.0 110.482 -177.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.479 ' N ' ' OD1' ' A' ' 44' ' ' ASP . 0.0 OUTLIER -115.69 106.91 14.42 Favored 'General case' 0 N--CA 1.479 0.979 0 N-CA-C 107.988 -1.115 . . . . 0.0 107.988 -178.961 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 22.5 mm-40 -62.06 -50.82 70.46 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 119.2 -0.428 . . . . 0.0 111.992 -176.715 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 66.5 m-20 -106.34 -2.22 22.48 Favored 'General case' 0 N--CA 1.479 0.991 0 CA-C-N 118.48 0.582 . . . . 0.0 111.495 178.57 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 47.66 29.24 5.69 Favored Glycine 0 N--CA 1.478 1.495 0 C-N-CA 121.735 -0.269 . . . . 0.0 112.766 -179.061 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -117.54 -14.58 10.27 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.161 0.584 . . . . 0.0 111.737 -179.037 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.1 pm0 -128.66 177.23 7.18 Favored 'General case' 0 N--CA 1.487 1.412 0 CA-C-O 121.563 0.697 . . . . 0.0 111.588 -177.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -75.5 148.31 39.09 Favored 'General case' 0 CA--C 1.528 0.107 0 CA-C-N 114.929 -1.032 . . . . 0.0 109.552 179.249 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 6.1 mt -90.35 120.89 31.85 Favored 'General case' 0 N--CA 1.477 0.898 0 CA-C-O 121.233 0.54 . . . . 0.0 109.707 -176.509 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.3 t -80.57 179.23 7.85 Favored 'General case' 0 CA--C 1.502 -0.902 0 CA-C-N 115.104 -0.953 . . . . 0.0 109.489 -177.392 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -72.64 -53.75 10.96 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-N 113.618 -1.628 . . . . 0.0 111.071 -178.721 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 31.0 t-80 -54.74 -50.4 68.5 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 119.847 -0.741 . . . . 0.0 110.5 -174.409 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -61.59 -50.33 73.01 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 118.301 0.5 . . . . 0.0 110.252 178.496 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 54.5 t-80 -60.62 -51.15 70.62 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 112.37 0.507 . . . . 0.0 112.37 -178.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.418 ' NE2' ' N ' ' A' ' 57' ' ' GLN . 0.5 OUTLIER -60.22 -34.2 73.33 Favored 'General case' 0 N--CA 1.475 0.818 0 O-C-N 122.065 -0.397 . . . . 0.0 111.108 -179.458 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 48.4 tt0 -65.4 -54.25 31.47 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 -179.54 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 34.3 mmt -62.84 -34.22 76.88 Favored 'General case' 0 C--N 1.35 0.614 0 N-CA-C 110.139 -0.319 . . . . 0.0 110.139 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 73.4 ttt180 -58.94 -49.04 79.35 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 119.646 -0.821 . . . . 0.0 109.902 -178.545 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 -60.58 -38.09 83.49 Favored 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 109.879 -0.415 . . . . 0.0 109.879 179.588 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 56.4 m-20 -67.02 -40.65 87.29 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.619 178.704 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 6.6 tp -60.07 -49.4 77.8 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.051 -179.146 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -57.99 -44.21 87.01 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 120.848 -0.341 . . . . 0.0 110.155 179.23 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 66.8 mmtt -63.44 -45.55 90.39 Favored 'General case' 0 N--CA 1.476 0.872 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.68 179.448 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -67.16 -44.04 80.77 Favored 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 109.951 -0.388 . . . . 0.0 109.951 179.515 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 37.6 mmm-85 -55.43 -40.14 71.14 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.836 179.705 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 79.7 tt0 -62.79 -65.01 0.75 Allowed 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 179.346 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -56.38 -40.59 74.85 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.85 -179.448 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 61.4 tp -61.4 -40.87 95.96 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-O 120.479 0.181 . . . . 0.0 111.075 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -60.45 -47.61 85.37 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-O 120.858 0.361 . . . . 0.0 110.359 -179.236 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 73.5 mt -63.98 -43.81 94.61 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.835 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -129.5 122.16 28.7 Favored 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 123.154 0.582 . . . . 0.0 109.703 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 47.1 p-80 -58.84 -24.8 62.55 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-O 121.178 0.513 . . . . 0.0 110.658 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 43.9 t -166.13 140.44 4.41 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 115.187 -0.915 . . . . 0.0 110.245 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 47.4 t -62.97 -40.33 97.38 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 120.981 0.42 . . . . 0.0 110.975 179.155 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -69.66 146.77 96.16 Favored Pre-proline 0 CA--C 1.547 0.836 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.861 -178.707 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_endo . . . . . 0 N--CA 1.511 2.51 0 C-N-CA 122.677 2.252 . . . . 0.0 111.329 179.531 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 . . . . . 0 N--CA 1.487 1.393 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 72.4 p -74.88 10.02 1.63 Allowed 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.536 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 48.4 t -63.3 -51.16 74.53 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.011 0 N-CA-C 110.235 -0.283 . . . . 0.0 110.235 -179.439 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -171.48 131.39 0.73 Allowed 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 67.3 m-20 -155.47 31.68 0.37 Allowed 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 179.181 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 36.2 pt -72.44 -19.18 19.23 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 179.07 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 51.6 m -60.86 -17.72 51.9 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.227 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 78.3 mt-10 -66.49 -35.31 79.94 Favored 'General case' 0 CA--C 1.543 0.707 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.388 179.694 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 35.4 t -63.97 -40.6 96.78 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-O 120.861 0.363 . . . . 0.0 111.469 179.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 9.4 mp -59.06 -30.05 67.76 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.831 -179.039 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 81.1 mtp180 -59.29 -37.39 77.56 Favored 'General case' 0 N--CA 1.48 1.04 0 CA-C-O 121.082 0.468 . . . . 0.0 110.003 -179.176 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 97.1 mm-40 -67.72 151.95 46.4 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 108.269 -1.011 . . . . 0.0 108.269 178.528 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.43 ' C ' ' H ' ' A' ' 15' ' ' GLY . . . 144.65 18.54 0.19 Allowed Glycine 0 N--CA 1.482 1.76 0 N-CA-C 109.682 -1.367 . . . . 0.0 109.682 -177.216 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -69.62 43.13 0.45 Allowed Glycine 0 CA--C 1.533 1.173 0 N-CA-C 111.479 -0.648 . . . . 0.0 111.479 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.43 ' H ' ' C ' ' A' ' 13' ' ' GLY . . . 70.21 -72.49 0.58 Allowed Glycine 0 N--CA 1.466 0.643 0 N-CA-C 111.541 -0.624 . . . . 0.0 111.541 179.491 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 70.5 mmtt -92.43 117.51 30.0 Favored 'General case' 0 N--CA 1.479 1.017 0 CA-C-O 120.872 0.368 . . . . 0.0 111.116 -179.187 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.0 pp -160.36 150.54 18.17 Favored 'General case' 0 N--CA 1.447 -0.589 0 N-CA-C 108.385 -0.968 . . . . 0.0 108.385 177.203 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.509 ' O ' ' N ' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -138.71 147.37 42.64 Favored 'General case' 0 N--CA 1.477 0.924 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 179.61 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 42.3 p90 -33.0 -29.17 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 124.656 1.182 . . . . 0.0 113.195 -179.042 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.406 ' N ' ' O ' ' A' ' 18' ' ' ASN . 61.0 m-20 -68.88 -45.15 71.72 Favored 'General case' 0 C--O 1.213 -0.861 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 178.111 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.509 ' N ' ' O ' ' A' ' 18' ' ' ASN . 74.1 mm-40 -59.56 -40.69 88.14 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 115.941 -0.572 . . . . 0.0 109.849 179.821 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 84.7 mt -73.78 -48.24 33.01 Favored 'General case' 0 N--CA 1.478 0.955 0 CA-C-O 121.243 0.544 . . . . 0.0 110.551 178.747 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 50.0 ttp85 -61.63 -52.51 64.08 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-N 115.418 -0.81 . . . . 0.0 112.385 -178.536 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 37.2 mm-40 -61.66 -38.89 89.41 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-N 115.73 -0.668 . . . . 0.0 112.145 -175.505 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 89.7 m-20 -72.45 -49.52 32.82 Favored 'General case' 0 N--CA 1.445 -0.72 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 174.538 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 56.3 mt -63.95 -33.42 75.69 Favored 'General case' 0 N--CA 1.501 2.114 0 CA-C-N 115.405 -0.816 . . . . 0.0 112.573 -177.214 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.7 ttpp -55.07 -43.9 74.32 Favored 'General case' 0 CA--C 1.562 1.415 0 CA-C-O 121.188 0.518 . . . . 0.0 110.137 177.409 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -62.72 -30.2 76.17 Favored Glycine 0 CA--C 1.538 1.471 0 CA-C-N 116.16 -0.473 . . . . 0.0 113.221 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -73.52 6.85 2.72 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 122.575 0.35 . . . . 0.0 111.413 -178.46 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 71.02 15.83 74.48 Favored Glycine 0 N--CA 1.468 0.809 0 CA-C-N 116.004 -0.544 . . . . 0.0 112.01 177.142 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -67.47 161.99 24.18 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 117.387 0.593 . . . . 0.0 109.526 179.384 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 60.8 p -93.37 163.15 13.71 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 115.547 -0.752 . . . . 0.0 109.851 -177.228 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -59.96 -41.73 92.54 Favored 'General case' 0 C--O 1.232 0.152 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.73 -47.24 86.44 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 120.715 -0.394 . . . . 0.0 109.983 179.685 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -69.26 -45.76 68.92 Favored 'General case' 0 N--CA 1.479 1.012 0 O-C-N 121.345 -0.847 . . . . 0.0 110.582 -177.536 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 85.6 mt -58.83 -50.66 78.62 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.902 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.463 -177.743 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -62.79 -44.41 96.24 Favored 'General case' 0 C--N 1.352 0.682 0 CA-C-O 121.203 0.525 . . . . 0.0 112.239 -177.405 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.7 -44.73 95.48 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 115.018 -0.992 . . . . 0.0 112.296 -179.164 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.3 mp -65.86 -47.34 85.9 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.883 0 C-N-CA 119.676 -0.81 . . . . 0.0 112.02 -174.063 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.445 ' CG ' ' N ' ' A' ' 41' ' ' THR . 0.2 OUTLIER -66.4 -46.09 77.77 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 121.218 0.532 . . . . 0.0 111.373 -178.068 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.445 ' N ' ' CG ' ' A' ' 40' ' ' PHE . 6.0 t -64.44 -35.62 81.5 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-N 114.707 -1.133 . . . . 0.0 112.009 -174.422 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -66.02 -49.91 66.09 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 120.203 -0.599 . . . . 0.0 109.636 -179.407 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 45.0 m-85 -74.51 -33.04 62.71 Favored 'General case' 0 C--N 1.364 1.218 0 C-N-CA 118.685 -1.206 . . . . 0.0 110.101 -178.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 -97.96 100.75 12.11 Favored 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 178.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 20.4 mm-40 -59.29 -50.81 72.57 Favored 'General case' 0 CA--C 1.545 0.785 0 N-CA-C 112.862 0.69 . . . . 0.0 112.862 -175.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 66.2 m-20 -106.05 -2.59 22.56 Favored 'General case' 0 N--CA 1.49 1.549 0 CA-C-N 119.382 0.992 . . . . 0.0 111.995 178.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 43.35 31.71 1.58 Allowed Glycine 0 N--CA 1.492 2.415 0 CA-C-O 120.791 0.106 . . . . 0.0 113.196 -179.319 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -114.38 -21.38 10.41 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 123.766 0.826 . . . . 0.0 111.844 -178.414 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.415 ' H ' ' NE2' ' A' ' 49' ' ' GLN . 2.7 pm0 -127.16 176.59 7.26 Favored 'General case' 0 N--CA 1.493 1.713 0 C-N-CA 123.122 0.569 . . . . 0.0 110.869 -178.553 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 20.4 mp0 -75.91 146.88 39.39 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 18.9 tp -91.71 121.72 33.61 Favored 'General case' 0 N--CA 1.48 1.07 0 CA-C-O 120.976 0.417 . . . . 0.0 110.357 -177.114 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.2 t -80.13 177.01 9.24 Favored 'General case' 0 CA--C 1.505 -0.787 0 CA-C-O 122.308 1.051 . . . . 0.0 110.552 -177.346 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.3 pm0 -73.85 -48.7 29.25 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 113.087 -1.869 . . . . 0.0 110.208 -178.596 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 56.6 t-80 -54.76 -50.71 67.78 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 119.892 -0.723 . . . . 0.0 110.24 -174.302 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 74.9 mt-10 -63.95 -50.36 68.92 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 118.415 0.552 . . . . 0.0 109.896 178.631 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 42.6 t-80 -58.23 -53.65 55.88 Favored 'General case' 0 CA--C 1.549 0.924 0 N-CA-C 112.192 0.441 . . . . 0.0 112.192 -179.319 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.431 ' NE2' ' N ' ' A' ' 57' ' ' GLN . 0.7 OUTLIER -61.31 -40.13 93.05 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-N 118.529 0.604 . . . . 0.0 111.279 -179.119 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 57.2 tt0 -63.91 -55.0 25.88 Favored 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 -179.63 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 86.3 mmm -60.84 -43.97 97.61 Favored 'General case' 0 C--N 1.346 0.445 0 CA-C-O 121.014 0.435 . . . . 0.0 111.085 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 72.2 ttt180 -59.33 -49.52 77.49 Favored 'General case' 0 CA--C 1.552 1.05 0 C-N-CA 119.704 -0.798 . . . . 0.0 109.062 -179.471 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -60.23 -37.84 81.58 Favored 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 -179.504 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 76.2 m-20 -65.48 -40.37 93.05 Favored 'General case' 0 C--N 1.342 0.258 0 N-CA-C 108.174 -1.047 . . . . 0.0 108.174 178.161 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.2 tp -58.51 -46.93 85.71 Favored 'General case' 0 C--N 1.35 0.622 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.382 -178.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -61.06 -44.43 97.39 Favored 'General case' 0 CA--C 1.559 1.315 0 C-N-CA 120.65 -0.42 . . . . 0.0 110.543 178.618 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -60.12 -48.28 82.38 Favored 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 113.276 0.843 . . . . 0.0 113.276 -178.574 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -70.84 -36.86 73.06 Favored 'General case' 0 N--CA 1.485 1.299 0 N-CA-C 110.164 -0.31 . . . . 0.0 110.164 -179.618 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 41.5 mtp85 -54.03 -49.63 68.49 Favored 'General case' 0 N--CA 1.484 1.241 0 CA-C-N 116.615 -0.266 . . . . 0.0 110.559 -179.647 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 73.4 mt-10 -66.57 -57.64 6.85 Favored 'General case' 0 N--CA 1.483 1.204 0 CA-C-O 121.003 0.43 . . . . 0.0 109.933 179.732 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -52.52 -45.76 66.42 Favored 'General case' 0 CA--C 1.548 0.874 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.485 -179.162 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 58.3 tp -58.04 -47.02 84.39 Favored 'General case' 0 N--CA 1.49 1.566 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.622 -178.664 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 77.3 m-20 -66.12 -61.41 2.05 Favored 'General case' 0 N--CA 1.47 0.544 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 179.657 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -74.66 93.46 2.55 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 115.749 -0.659 . . . . 0.0 109.304 179.578 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 70.0 m-20 -64.61 137.81 58.05 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-N 115.835 -0.621 . . . . 0.0 109.363 178.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 21.7 p80 -64.61 -43.79 92.63 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-O 120.988 0.423 . . . . 0.0 110.805 -179.627 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 34.8 t -170.44 103.2 0.27 Allowed 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.793 -179.753 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 49.8 m -162.47 -13.53 0.04 OUTLIER 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 122.662 0.385 . . . . 0.0 110.021 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 67.6 mt -68.67 143.38 94.98 Favored Pre-proline 0 CA--C 1.56 1.345 0 CA-C-O 118.749 -0.643 . . . . 0.0 110.629 -178.661 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 80.3 Cg_endo . . . . . 0 N--CA 1.515 2.759 0 C-N-CA 121.982 1.788 . . . . 0.0 110.863 179.95 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 21.2 p-10 . . . . . 0 N--CA 1.489 1.521 0 N-CA-C 109.589 -0.522 . . . . 0.0 109.589 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 58.9 p -63.87 -32.26 73.72 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.571 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 26.8 m -61.18 -27.05 40.97 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.611 179.585 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -163.49 91.26 0.67 Allowed 'General case' 0 N--CA 1.474 0.769 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.09 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -69.13 142.49 54.39 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 109.538 -0.541 . . . . 0.0 109.538 179.725 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 42.7 pt -64.93 -21.54 29.66 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.644 0 CA-C-O 121.131 0.491 . . . . 0.0 110.451 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 83.1 p -64.27 -1.17 1.5 Allowed 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.145 -179.641 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 79.2 tt0 -68.83 -38.97 80.2 Favored 'General case' 0 N--CA 1.472 0.65 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 178.746 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 89.4 p -61.57 -49.04 78.25 Favored 'General case' 0 N--CA 1.48 1.046 0 CA-C-O 120.926 0.393 . . . . 0.0 110.473 -179.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 59.8 mt -58.93 -43.7 91.23 Favored 'General case' 0 CA--C 1.545 0.775 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.027 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.47 ' O ' ' N ' ' A' ' 13' ' ' GLY . 40.3 ttm180 -64.51 -54.3 34.53 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 110.249 -0.278 . . . . 0.0 110.249 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 61.8 tp60 54.49 -75.87 0.01 OUTLIER 'General case' 0 CA--C 1.549 0.911 0 O-C-N 124.158 0.911 . . . . 0.0 111.026 -179.008 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 11' ' ' ARG . . . 74.42 16.23 80.03 Favored Glycine 0 N--CA 1.468 0.781 0 N-CA-C 110.832 -0.907 . . . . 0.0 110.832 179.166 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -78.25 -15.87 80.4 Favored Glycine 0 N--CA 1.466 0.658 0 N-CA-C 110.824 -0.91 . . . . 0.0 110.824 179.691 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 95.02 -28.16 12.53 Favored Glycine 0 N--CA 1.477 1.389 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp -119.37 122.79 42.6 Favored 'General case' 0 N--CA 1.482 1.153 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 179.32 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.1 mt -132.78 109.92 10.0 Favored 'General case' 0 C--N 1.352 0.71 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 -178.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.468 ' O ' ' N ' ' A' ' 21' ' ' GLU . 2.2 p-10 -125.1 132.33 53.15 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 107.457 -1.312 . . . . 0.0 107.457 178.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 29.8 p90 -31.52 -29.93 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.693 1.197 . . . . 0.0 113.741 -179.175 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.435 ' N ' ' O ' ' A' ' 18' ' ' ASN . 66.8 m-20 -71.49 -45.48 62.38 Favored 'General case' 0 C--O 1.218 -0.562 0 CA-C-N 115.58 -0.736 . . . . 0.0 109.355 -179.702 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.468 ' N ' ' O ' ' A' ' 18' ' ' ASN . 0.0 OUTLIER -58.38 -36.83 74.11 Favored 'General case' 0 CA--C 1.549 0.924 0 N-CA-C 107.806 -1.183 . . . . 0.0 107.806 -178.556 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 96.2 mt -73.69 -48.42 32.31 Favored 'General case' 0 CA--C 1.495 -1.155 0 CA-C-O 121.533 0.682 . . . . 0.0 110.81 178.666 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 11.7 ttm180 -61.16 -51.69 67.97 Favored 'General case' 0 C--N 1.312 -1.033 0 CA-C-N 115.188 -0.915 . . . . 0.0 111.275 -177.646 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 82.5 mt-30 -62.04 -37.12 83.72 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 112.696 0.628 . . . . 0.0 112.696 -177.444 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -72.06 -48.82 41.45 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.034 0.445 . . . . 0.0 110.379 176.462 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 24.1 mt -61.33 -32.05 71.92 Favored 'General case' 0 N--CA 1.493 1.69 0 CA-C-N 115.309 -0.86 . . . . 0.0 112.139 -176.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 32.1 ttmt -54.97 -44.41 74.38 Favored 'General case' 0 CA--C 1.555 1.149 0 CA-C-O 121.201 0.524 . . . . 0.0 110.451 178.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -62.96 -33.48 87.3 Favored Glycine 0 CA--C 1.532 1.116 0 CA-C-N 115.56 -0.745 . . . . 0.0 112.285 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt -70.6 4.37 2.47 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 122.836 0.455 . . . . 0.0 111.489 -178.522 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 70.43 19.62 76.31 Favored Glycine 0 N--CA 1.47 0.944 0 N-CA-C 111.722 -0.551 . . . . 0.0 111.722 177.181 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -71.41 162.34 29.59 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 117.33 0.565 . . . . 0.0 109.481 179.543 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 72.9 p -90.7 162.76 14.77 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.052 -177.712 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -59.56 -44.11 93.38 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.675 -0.239 . . . . 0.0 110.366 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.04 -47.42 85.28 Favored 'General case' 0 N--CA 1.47 0.572 0 O-C-N 123.385 0.428 . . . . 0.0 110.353 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 71.4 mm-40 -69.56 -41.64 75.61 Favored 'General case' 0 N--CA 1.476 0.863 0 O-C-N 121.487 -0.758 . . . . 0.0 111.059 -177.689 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 64.3 mt -59.52 -50.58 79.39 Favored 'Isoleucine or valine' 0 C--O 1.245 0.819 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.012 -179.029 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -63.61 -42.24 98.24 Favored 'General case' 0 C--N 1.345 0.412 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.58 -177.197 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.55 -45.88 90.92 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 116.011 -0.54 . . . . 0.0 112.109 -178.468 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.3 mp -60.84 -46.85 95.51 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.856 0 C-N-CA 119.922 -0.711 . . . . 0.0 111.149 -173.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -66.99 -39.84 87.24 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.572 0.701 . . . . 0.0 110.271 -178.505 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 36.8 m -61.5 -46.27 90.69 Favored 'General case' 0 C--O 1.239 0.524 0 CA-C-N 114.249 -1.341 . . . . 0.0 111.578 -175.294 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -66.73 -49.2 66.75 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 -179.718 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 16.7 m-85 -71.49 -32.41 68.21 Favored 'General case' 0 C--O 1.217 -0.619 0 C-N-CA 119.97 -0.692 . . . . 0.0 110.427 -177.583 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -113.83 105.57 13.42 Favored 'General case' 0 N--CA 1.489 1.498 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 179.467 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 27.8 mm-40 -59.2 -51.44 69.96 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-O 119.187 -0.435 . . . . 0.0 112.125 -175.691 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 27.9 t0 -106.27 -3.01 21.72 Favored 'General case' 0 N--CA 1.483 1.212 0 CA-C-N 118.821 0.737 . . . . 0.0 111.823 178.319 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 42.65 40.8 4.02 Favored Glycine 0 N--CA 1.488 2.14 0 CA-C-N 117.816 0.28 . . . . 0.0 112.533 -179.003 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -118.0 -20.69 8.63 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 123.569 0.748 . . . . 0.0 111.836 -178.017 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.418 ' H ' ' NE2' ' A' ' 49' ' ' GLN . 2.6 pm0 -129.56 -178.61 4.75 Favored 'General case' 0 N--CA 1.489 1.502 0 CA-C-O 121.371 0.605 . . . . 0.0 110.989 -177.83 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -76.26 146.85 38.68 Favored 'General case' 0 C--N 1.341 0.2 0 CA-C-N 115.483 -0.78 . . . . 0.0 109.404 179.395 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 31.1 tp -91.29 122.72 34.15 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-O 121.352 0.596 . . . . 0.0 110.68 -177.592 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 6.3 t -80.35 -179.83 7.32 Favored 'General case' 0 CA--C 1.504 -0.796 0 CA-C-N 115.122 -0.944 . . . . 0.0 110.568 -178.23 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -73.54 -49.42 26.57 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-N 113.478 -1.692 . . . . 0.0 110.532 -178.611 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.451 ' NE2' ' NE2' ' A' ' 58' ' ' GLN . 82.4 t60 -54.46 -51.24 65.62 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 120.454 -0.498 . . . . 0.0 110.0 -174.707 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 67.8 mm-40 -62.0 -51.04 69.63 Favored 'General case' 0 CA--C 1.539 0.525 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 178.346 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.466 ' CD2' HH21 ' A' ' 60' ' ' ARG . 0.9 OUTLIER -58.5 -53.74 54.86 Favored 'General case' 0 CA--C 1.546 0.799 0 N-CA-C 112.736 0.643 . . . . 0.0 112.736 -179.321 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -57.56 -37.67 73.52 Favored 'General case' 0 CA--C 1.547 0.83 0 CA-C-N 118.222 0.464 . . . . 0.0 111.469 -178.553 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.451 ' NE2' ' NE2' ' A' ' 54' ' ' HIS . 86.9 mt-30 -63.81 -53.88 43.9 Favored 'General case' 0 N--CA 1.478 0.974 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 179.205 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 67.8 mmm -64.75 -35.09 79.96 Favored 'General case' 0 CA--C 1.512 -0.495 0 CA-C-O 120.893 0.378 . . . . 0.0 111.057 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.466 HH21 ' CD2' ' A' ' 56' ' ' HIS . 38.2 ttm180 -59.76 -48.93 79.71 Favored 'General case' 0 CA--C 1.549 0.933 0 N-CA-C 109.23 -0.655 . . . . 0.0 109.23 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 75.9 m-20 -60.71 -36.6 79.24 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-O 121.09 0.471 . . . . 0.0 110.046 -179.716 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 62.3 m-20 -64.76 -36.66 85.01 Favored 'General case' 0 N--CA 1.464 0.249 0 N-CA-C 108.963 -0.754 . . . . 0.0 108.963 178.216 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 7.3 tp -58.66 -47.7 83.56 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.566 -179.311 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -61.18 -44.47 97.25 Favored 'General case' 0 CA--C 1.554 1.113 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.41 179.404 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -63.91 -49.74 71.46 Favored 'General case' 0 N--CA 1.487 1.399 0 N-CA-C 113.718 1.007 . . . . 0.0 113.718 -178.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -67.98 -44.79 75.85 Favored 'General case' 0 N--CA 1.482 1.137 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 -177.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 79.1 mtm180 -55.88 -44.14 77.85 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-N 116.541 -0.3 . . . . 0.0 110.538 -179.677 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 77.0 tt0 -60.09 -65.59 0.66 Allowed 'General case' 0 N--CA 1.48 1.052 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 179.752 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 60.3 m-20 -52.17 -42.59 63.56 Favored 'General case' 0 CA--C 1.551 0.996 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.673 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 60.2 tp -63.06 -38.72 92.3 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 122.267 0.227 . . . . 0.0 111.36 179.437 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -58.53 -52.15 66.89 Favored 'General case' 0 N--CA 1.482 1.143 0 CA-C-O 120.905 0.383 . . . . 0.0 110.469 -178.118 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 10.7 mp -64.57 -43.19 94.67 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.971 179.089 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -64.19 132.16 49.55 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 109.149 -0.685 . . . . 0.0 109.149 179.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 57.9 t-80 -63.44 -41.21 98.67 Favored 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 33.2 t 54.37 -169.93 0.06 Allowed 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.496 -179.13 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 55.5 m -61.37 -38.52 87.31 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-O 121.001 0.429 . . . . 0.0 110.584 178.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 11.0 mp -63.6 150.47 90.31 Favored Pre-proline 0 CA--C 1.56 1.357 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.953 -178.498 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_endo . . . . . 0 N--CA 1.509 2.39 0 C-N-CA 122.319 2.013 . . . . 0.0 110.7 179.29 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 82.7 m-20 . . . . . 0 N--CA 1.489 1.524 0 N-CA-C 108.296 -1.001 . . . . 0.0 108.296 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 22.1 m -63.07 -48.02 80.46 Favored 'General case' 0 N--CA 1.478 0.927 0 CA-C-O 120.817 0.341 . . . . 0.0 110.159 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.6 p -63.53 -24.26 35.4 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.83 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.508 179.73 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 23.4 t70 64.35 171.54 0.19 Allowed 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.16 -178.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -80.25 96.01 6.48 Favored 'General case' 0 N--CA 1.478 0.938 0 CA-C-O 121.038 0.447 . . . . 0.0 109.955 -179.496 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 36.1 pt -67.89 -19.08 24.47 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 N-CA-C 109.932 -0.396 . . . . 0.0 109.932 179.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 48.2 m -64.04 -2.66 2.09 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.341 -179.659 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 64.6 mm-40 -72.01 -35.46 69.44 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 122.495 0.318 . . . . 0.0 110.478 177.748 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 43.9 t -59.59 -50.05 75.38 Favored 'General case' 0 N--CA 1.479 0.99 0 CA-C-O 120.725 0.297 . . . . 0.0 110.909 -179.705 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 9.6 mp -62.82 -42.78 99.87 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 178.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.487 ' O ' ' N ' ' A' ' 13' ' ' GLY . 58.1 ttm-85 -59.7 -54.37 47.16 Favored 'General case' 0 C--N 1.352 0.708 0 C-N-CA 120.84 -0.344 . . . . 0.0 110.336 -179.39 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 53.52 -77.47 0.01 OUTLIER 'General case' 0 CA--C 1.545 0.779 0 O-C-N 124.254 0.971 . . . . 0.0 110.844 -179.602 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.487 ' N ' ' O ' ' A' ' 11' ' ' ARG . . . 78.12 16.89 79.11 Favored Glycine 0 N--CA 1.473 1.123 0 N-CA-C 110.632 -0.987 . . . . 0.0 110.632 179.416 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -76.61 -16.91 80.36 Favored Glycine 0 CA--C 1.531 1.033 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 179.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 95.47 -32.73 5.99 Favored Glycine 0 N--CA 1.48 1.611 0 N-CA-C 111.272 -0.731 . . . . 0.0 111.272 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 46.5 mtmt -119.72 127.43 52.84 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 123.301 0.64 . . . . 0.0 109.418 179.338 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.4 tp -153.3 136.43 15.61 Favored 'General case' 0 C--O 1.221 -0.418 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 -179.159 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 21.1 p30 -156.39 164.78 37.87 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 108.232 -1.025 . . . . 0.0 108.232 179.094 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 24.0 p90 -31.13 -40.22 0.03 OUTLIER 'General case' 0 N--CA 1.483 1.184 0 O-C-N 124.357 1.036 . . . . 0.0 113.119 -177.199 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -74.19 -45.81 46.08 Favored 'General case' 0 C--O 1.208 -1.086 0 CA-C-O 121.436 0.636 . . . . 0.0 112.453 -179.607 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 66.2 mm-40 -61.62 -44.84 96.24 Favored 'General case' 0 N--CA 1.484 1.244 0 CA-C-O 121.321 0.581 . . . . 0.0 111.922 -175.263 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.4 pp -75.42 -47.43 27.4 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 115.226 -0.897 . . . . 0.0 110.938 178.584 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 51.6 ttp180 -59.77 -50.29 74.38 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 112.294 0.479 . . . . 0.0 112.294 -176.404 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 40.1 mm-40 -57.71 -36.31 71.83 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.15 -0.932 . . . . 0.0 110.988 -176.798 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -71.97 -48.57 44.11 Favored 'General case' 0 N--CA 1.448 -0.56 0 O-C-N 123.9 0.75 . . . . 0.0 110.233 175.269 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 20.2 mt -63.96 -33.13 75.03 Favored 'General case' 0 N--CA 1.496 1.864 0 CA-C-N 114.88 -1.055 . . . . 0.0 111.785 -175.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -55.23 -46.26 76.0 Favored 'General case' 0 CA--C 1.555 1.143 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 178.029 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -60.28 -35.88 89.37 Favored Glycine 0 CA--C 1.54 1.645 0 CA-C-N 115.969 -0.559 . . . . 0.0 112.006 178.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -70.09 -0.07 7.04 Favored 'General case' 0 N--CA 1.479 1.007 0 CA-C-O 121.289 0.566 . . . . 0.0 111.122 -179.249 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 71.4 20.57 78.36 Favored Glycine 0 N--CA 1.469 0.864 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.421 177.656 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -66.97 162.69 21.42 Favored 'General case' 0 N--CA 1.472 0.666 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 58.0 p -91.04 158.6 16.59 Favored 'General case' 0 CA--C 1.503 -0.841 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.231 -176.435 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.489 ' O ' ' HG3' ' A' ' 37' ' ' GLU . 15.4 p-10 -62.9 -45.03 94.43 Favored 'General case' 0 C--O 1.213 -0.841 0 CA-C-N 116.596 -0.275 . . . . 0.0 110.503 -179.662 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.58 -46.49 86.84 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 120.629 -0.428 . . . . 0.0 110.684 -179.159 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 -66.45 -42.19 87.97 Favored 'General case' 0 N--CA 1.478 0.957 0 CA-C-O 120.72 0.295 . . . . 0.0 110.88 -176.678 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 65.2 mt -57.25 -48.02 83.14 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.579 0 N-CA-C 108.709 -0.848 . . . . 0.0 108.709 179.341 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.489 ' HG3' ' O ' ' A' ' 33' ' ' ASP . 96.3 mt-10 -55.29 -45.83 76.2 Favored 'General case' 0 CA--C 1.5 -0.957 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.802 -178.66 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.05 -45.28 94.25 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.426 -179.445 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.6 mp -63.26 -47.54 91.68 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.136 0 C-N-CA 119.282 -0.967 . . . . 0.0 111.348 -174.21 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -67.68 -44.6 77.39 Favored 'General case' 0 CA--C 1.512 -0.516 0 CA-C-O 121.513 0.673 . . . . 0.0 110.756 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 24.3 m -58.31 -46.36 86.29 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-N 114.887 -1.051 . . . . 0.0 111.404 -176.589 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -70.94 -48.69 52.1 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.483 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -72.28 -32.85 66.97 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 119.555 -0.858 . . . . 0.0 110.413 -176.207 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -109.58 111.58 23.15 Favored 'General case' 0 N--CA 1.48 1.055 0 N-CA-C 108.075 -1.083 . . . . 0.0 108.075 179.43 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.448 ' N ' ' NE2' ' A' ' 45' ' ' GLN . 0.8 OUTLIER -63.23 -50.98 68.1 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-O 119.254 -0.403 . . . . 0.0 111.363 -176.628 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 65.3 m-20 -106.36 -2.47 22.16 Favored 'General case' 0 N--CA 1.479 1.009 0 CA-C-N 118.347 0.521 . . . . 0.0 111.054 178.703 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 47.8 27.09 4.51 Favored Glycine 0 N--CA 1.481 1.676 0 C-N-CA 121.432 -0.413 . . . . 0.0 112.476 -178.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -117.64 -14.28 10.22 Favored 'General case' 0 N--CA 1.495 1.807 0 C-N-CA 123.52 0.728 . . . . 0.0 112.124 -178.168 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -125.82 171.25 10.84 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 123.17 0.588 . . . . 0.0 109.848 -177.469 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -75.69 147.95 39.01 Favored 'General case' 0 CA--C 1.517 -0.293 0 CA-C-N 115.005 -0.998 . . . . 0.0 108.491 179.493 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 34.3 tp -91.05 122.89 34.09 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-O 121.844 0.831 . . . . 0.0 110.69 -177.489 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.7 t -80.74 178.29 8.47 Favored 'General case' 0 CA--C 1.501 -0.925 0 CA-C-N 114.273 -1.33 . . . . 0.0 109.784 -178.178 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.423 ' O ' ' NE2' ' A' ' 57' ' ' GLN . 75.6 mm-40 -73.23 -52.2 14.94 Favored 'General case' 0 C--N 1.306 -1.283 0 CA-C-N 113.195 -1.821 . . . . 0.0 110.867 -177.122 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 58.8 t-80 -55.44 -50.29 70.22 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 120.175 -0.61 . . . . 0.0 109.69 -174.308 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 41.9 tp10 -61.48 -49.6 76.11 Favored 'General case' 0 CA--C 1.537 0.45 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 179.027 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 45.0 t60 -58.67 -54.03 51.64 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.485 -179.44 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.536 HE21 ' N ' ' A' ' 57' ' ' GLN . 0.0 OUTLIER -57.38 -36.58 71.43 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 121.024 -0.27 . . . . 0.0 111.006 -178.952 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 48.9 tt0 -64.73 -54.69 27.47 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 120.84 -0.344 . . . . 0.0 110.559 -178.678 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 34.0 mmt -63.15 -34.7 78.2 Favored 'General case' 0 C--N 1.351 0.644 0 CA-C-O 120.838 0.351 . . . . 0.0 110.371 -179.756 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.437 HH11 ' NH1' ' A' ' 11' ' ' ARG . 60.5 ttp180 -59.86 -48.53 81.32 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.775 -178.305 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 75.0 m-20 -61.75 -37.76 85.44 Favored 'General case' 0 N--CA 1.466 0.374 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -65.7 -40.38 92.22 Favored 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 178.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 6.4 tp -59.8 -49.82 76.21 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.262 -178.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.7 tp10 -57.78 -44.67 86.41 Favored 'General case' 0 CA--C 1.549 0.926 0 CA-C-O 120.932 0.396 . . . . 0.0 110.185 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -63.06 -46.52 87.09 Favored 'General case' 0 N--CA 1.479 0.983 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.32 179.279 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 69.0 mt-10 -65.19 -45.91 82.9 Favored 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 179.657 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 73.2 mtt-85 -46.22 -25.78 0.67 Allowed 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 122.281 0.232 . . . . 0.0 111.227 179.572 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 72.2 tt0 -67.27 -64.6 0.82 Allowed 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 178.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 59.5 m-20 -51.93 -41.81 62.31 Favored 'General case' 0 N--CA 1.478 0.969 0 CA-C-O 120.838 0.352 . . . . 0.0 111.411 -178.716 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -65.37 -40.41 93.5 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.184 178.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -59.86 -52.31 66.0 Favored 'General case' 0 N--CA 1.484 1.269 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 -179.547 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -67.04 -46.63 73.84 Favored 'General case' 0 N--CA 1.48 1.035 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.673 179.54 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -85.65 92.76 8.66 Favored 'General case' 0 N--CA 1.476 0.86 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 179.755 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 99.3 m-70 -64.46 -45.44 87.42 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 -179.772 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 45.6 t -168.4 133.31 1.7 Allowed 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 115.131 -0.94 . . . . 0.0 110.106 179.269 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 48.0 t -62.64 -42.02 99.36 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-O 121.19 0.519 . . . . 0.0 110.163 178.664 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 64.1 mt -67.78 146.88 98.57 Favored Pre-proline 0 CA--C 1.565 1.528 0 CA-C-N 115.312 -0.858 . . . . 0.0 111.257 -178.351 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_exo . . . . . 0 N--CA 1.52 3.063 0 C-N-CA 122.42 2.08 . . . . 0.0 112.896 178.655 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 19.9 p30 . . . . . 0 N--CA 1.491 1.59 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 70.5 p -62.5 -31.91 72.75 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 116.455 -0.338 . . . . 0.0 110.575 -179.636 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.4 p -58.09 -29.91 37.84 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 179.494 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.456 ' CG ' ' H ' ' A' ' 5' ' ' ASP . 21.2 t70 59.56 -171.83 0.12 Allowed 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 115.531 -0.758 . . . . 0.0 109.287 -179.595 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.456 ' H ' ' CG ' ' A' ' 4' ' ' ASP . 71.5 m-20 -60.05 138.37 57.88 Favored 'General case' 0 CA--C 1.55 0.963 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 179.441 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 40.5 pt -65.35 -23.88 33.85 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 CA-C-O 120.828 0.347 . . . . 0.0 110.502 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 59.7 m -64.9 -7.68 12.4 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.854 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 76.0 tt0 -71.11 -37.14 72.35 Favored 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 179.464 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 79.3 p -59.89 -51.5 69.42 Favored 'General case' 0 N--CA 1.478 0.93 0 CA-C-N 116.67 -0.241 . . . . 0.0 111.082 -179.335 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 23.1 mt -63.78 -41.28 97.97 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 122.617 0.367 . . . . 0.0 110.766 179.413 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.453 ' O ' ' N ' ' A' ' 13' ' ' GLY . 41.1 ttm180 -60.5 -53.13 61.29 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 116.132 -0.485 . . . . 0.0 109.838 179.836 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 59.07 -74.22 0.02 OUTLIER 'General case' 0 CA--C 1.544 0.749 0 O-C-N 124.436 1.085 . . . . 0.0 110.137 -179.584 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 11' ' ' ARG . . . 116.14 -19.7 13.27 Favored Glycine 0 N--CA 1.48 1.611 0 C-N-CA 124.57 1.081 . . . . 0.0 110.6 178.82 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -69.68 -46.28 54.92 Favored Glycine 0 N--CA 1.47 0.936 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 179.091 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 106.96 -60.34 0.35 Allowed Glycine 0 N--CA 1.482 1.756 0 N-CA-C 110.51 -1.036 . . . . 0.0 110.51 -179.602 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 57.2 mtpt -65.59 129.0 38.22 Favored 'General case' 0 N--CA 1.473 0.715 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.5 mt -154.56 133.47 12.29 Favored 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 -178.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.419 ' O ' ' N ' ' A' ' 21' ' ' GLU . 12.9 t-20 -119.51 139.18 52.51 Favored 'General case' 0 N--CA 1.447 -0.623 0 C-N-CA 124.484 1.114 . . . . 0.0 108.701 178.885 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.415 ' CD1' ' ND2' ' A' ' 18' ' ' ASN . 53.8 p90 -31.37 -39.46 0.03 OUTLIER 'General case' 0 C--O 1.206 -1.197 0 C-N-CA 124.02 0.928 . . . . 0.0 112.309 -177.258 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -72.68 -45.53 58.39 Favored 'General case' 0 N--CA 1.481 1.123 0 CA-C-O 121.042 0.449 . . . . 0.0 111.687 178.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.419 ' N ' ' O ' ' A' ' 18' ' ' ASN . 62.0 mm-40 -59.67 -47.21 86.53 Favored 'General case' 0 N--CA 1.486 1.33 0 N-CA-C 113.03 0.752 . . . . 0.0 113.03 -176.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.7 pp -75.63 -46.87 29.1 Favored 'General case' 0 CA--C 1.549 0.91 0 CA-C-N 115.549 -0.751 . . . . 0.0 111.75 178.209 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.6 tmt_? -59.89 -50.37 74.04 Favored 'General case' 0 N--CA 1.486 1.374 0 CA-C-O 120.907 0.384 . . . . 0.0 111.718 -176.487 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 20.0 mm-40 -59.11 -34.79 72.43 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.958 -178.067 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -70.8 -47.75 57.82 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 109.271 -0.641 . . . . 0.0 109.271 176.075 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 55.2 mt -61.51 -32.28 72.32 Favored 'General case' 0 N--CA 1.497 1.9 0 CA-C-N 115.485 -0.78 . . . . 0.0 112.007 -177.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.6 ttpp -55.19 -45.33 75.84 Favored 'General case' 0 CA--C 1.557 1.212 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 178.319 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -60.83 -35.17 89.65 Favored Glycine 0 CA--C 1.538 1.494 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.885 179.17 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -70.41 -0.05 7.52 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 123.008 0.523 . . . . 0.0 111.235 -179.337 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 71.71 19.91 78.29 Favored Glycine 0 N--CA 1.468 0.806 0 CA-C-N 115.397 -0.82 . . . . 0.0 111.676 177.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -66.4 162.32 20.71 Favored 'General case' 0 N--CA 1.475 0.818 0 CA-C-N 117.652 0.726 . . . . 0.0 109.826 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 57.8 p -91.51 162.31 14.6 Favored 'General case' 0 CA--C 1.507 -0.708 0 CA-C-N 115.238 -0.892 . . . . 0.0 109.767 -176.206 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -61.21 -42.05 97.91 Favored 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 109.724 -0.472 . . . . 0.0 109.724 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.28 -47.03 86.91 Favored 'General case' 0 C--N 1.352 0.684 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 74.3 mt-10 -67.77 -48.07 67.41 Favored 'General case' 0 N--CA 1.473 0.691 0 O-C-N 121.584 -0.697 . . . . 0.0 110.174 -178.158 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 83.8 mt -58.46 -50.71 77.84 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.942 0 CA-C-N 115.571 -0.74 . . . . 0.0 111.073 -177.373 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -63.38 -43.53 97.32 Favored 'General case' 0 C--N 1.355 0.81 0 CA-C-O 121.377 0.608 . . . . 0.0 111.604 -177.515 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.66 -45.14 91.48 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 115.196 -0.911 . . . . 0.0 111.708 -179.009 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.2 mp -61.79 -46.9 95.53 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.998 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.953 -174.217 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -67.97 -43.5 78.85 Favored 'General case' 0 CA--C 1.509 -0.602 0 CA-C-O 122.056 0.931 . . . . 0.0 110.359 -179.777 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 23.9 m -60.27 -45.58 92.79 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-N 113.682 -1.599 . . . . 0.0 111.29 -176.703 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -67.38 -49.89 61.97 Favored 'General case' 0 N--CA 1.443 -0.806 0 C-N-CA 119.955 -0.698 . . . . 0.0 110.729 -178.187 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -73.67 -31.52 63.5 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 120.986 -0.286 . . . . 0.0 110.969 -177.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -109.02 103.75 12.83 Favored 'General case' 0 N--CA 1.486 1.358 0 N-CA-C 107.46 -1.311 . . . . 0.0 107.46 179.125 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.452 ' N ' ' NE2' ' A' ' 45' ' ' GLN . 0.9 OUTLIER -59.35 -50.29 74.55 Favored 'General case' 0 CA--C 1.549 0.928 0 CA-C-N 115.728 -0.669 . . . . 0.0 112.133 -175.755 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -104.72 -0.32 27.52 Favored 'General case' 0 N--CA 1.489 1.491 0 CA-C-N 119.044 0.838 . . . . 0.0 111.751 -179.109 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.58 20.29 59.04 Favored Glycine 0 N--CA 1.471 0.993 0 N-CA-C 112.188 -0.365 . . . . 0.0 112.188 -177.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -120.54 -12.97 8.84 Favored 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 123.825 0.85 . . . . 0.0 111.811 178.418 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -109.47 140.67 42.93 Favored 'General case' 0 N--CA 1.491 1.587 0 CA-C-O 121.277 0.56 . . . . 0.0 112.288 -175.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -76.05 148.59 37.87 Favored 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 124.785 1.234 . . . . 0.0 108.059 177.519 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -90.42 118.11 29.65 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-O 121.945 0.878 . . . . 0.0 110.163 -176.75 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.3 t -80.18 -178.34 6.52 Favored 'General case' 0 CA--C 1.487 -1.458 0 CA-C-N 114.454 -1.248 . . . . 0.0 108.481 -176.501 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.404 ' O ' ' NE2' ' A' ' 57' ' ' GLN . 72.7 mt-10 -61.52 -62.44 1.81 Allowed 'General case' 0 C--N 1.308 -1.205 0 CA-C-N 114.277 -1.328 . . . . 0.0 111.37 -177.872 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 82.7 t60 -55.35 -50.33 69.95 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 119.91 -0.716 . . . . 0.0 110.783 -174.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 40.7 tp10 -61.54 -45.25 94.95 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 118.326 0.512 . . . . 0.0 110.58 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 54.1 t-80 -63.57 -47.57 80.96 Favored 'General case' 0 CA--C 1.545 0.775 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.638 178.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.561 HE21 ' N ' ' A' ' 57' ' ' GLN . 0.0 OUTLIER -64.61 -34.93 79.42 Favored 'General case' 0 CA--C 1.56 1.344 0 O-C-N 121.629 -0.669 . . . . 0.0 111.173 -179.778 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 72.3 mt-30 -63.13 -55.04 28.64 Favored 'General case' 0 N--CA 1.49 1.542 0 CA-C-N 118.338 0.517 . . . . 0.0 111.295 -179.091 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.72 -34.47 77.24 Favored 'General case' 0 C--N 1.351 0.672 0 O-C-N 122.039 -0.413 . . . . 0.0 110.424 -179.82 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 58.7 ttp180 -58.7 -48.02 82.55 Favored 'General case' 0 C--N 1.359 0.988 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 -178.61 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -60.09 -36.05 76.56 Favored 'General case' 0 C--N 1.341 0.211 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 179.374 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -69.66 -39.2 77.19 Favored 'General case' 0 C--N 1.35 0.609 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.321 179.602 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.3 tp -59.07 -50.29 74.65 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.808 -179.198 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 41.1 tp10 -58.75 -45.38 89.85 Favored 'General case' 0 CA--C 1.549 0.916 0 CA-C-O 120.595 0.236 . . . . 0.0 110.619 -179.791 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -63.8 -45.67 88.6 Favored 'General case' 0 N--CA 1.476 0.867 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.796 179.226 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 62.7 mm-40 -65.16 -50.76 64.74 Favored 'General case' 0 N--CA 1.476 0.827 0 N-CA-C 109.894 -0.41 . . . . 0.0 109.894 -179.682 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 64.9 mtp85 -52.16 -42.89 63.78 Favored 'General case' 0 N--CA 1.477 0.918 0 CA-C-N 116.958 -0.11 . . . . 0.0 110.744 179.757 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -57.45 -64.75 0.79 Allowed 'General case' 0 N--CA 1.48 1.056 0 N-CA-C 110.076 -0.342 . . . . 0.0 110.076 179.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -53.25 -43.34 67.3 Favored 'General case' 0 N--CA 1.478 0.97 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.289 -179.47 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 61.2 mt -63.01 -38.72 92.31 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.445 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 78.5 m-20 -60.72 -46.46 90.33 Favored 'General case' 0 N--CA 1.483 1.201 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 -179.725 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 87.2 mt -61.48 -44.87 96.32 Favored 'General case' 0 CA--C 1.546 0.806 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.294 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -105.81 36.43 2.55 Favored 'General case' 0 N--CA 1.484 1.245 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 179.54 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 84.6 t60 -56.56 -42.61 78.87 Favored 'General case' 0 N--CA 1.478 0.929 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 179.572 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 84.5 p 50.23 92.69 0.02 OUTLIER 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.654 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 67.8 m -59.31 -17.94 33.59 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.51 -179.214 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 7.6 tp -107.71 102.39 44.74 Favored Pre-proline 0 N--CA 1.486 1.355 0 CA-C-O 118.741 -0.647 . . . . 0.0 110.814 179.578 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_exo . . . . . 0 N--CA 1.518 2.968 0 C-N-CA 122.148 1.899 . . . . 0.0 112.452 178.155 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 . . . . . 0 N--CA 1.492 1.664 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 21.1 m -61.63 -47.38 85.68 Favored 'General case' 0 N--CA 1.479 1.017 0 CA-C-O 120.933 0.397 . . . . 0.0 110.345 -179.273 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 35.9 m -59.79 -32.13 48.92 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.673 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 57.0 m-20 -75.07 102.93 5.06 Favored 'General case' 0 CA--C 1.543 0.683 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 179.671 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 13.5 p-10 -71.81 64.81 0.49 Allowed 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 41.4 pt -69.19 -23.78 27.24 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 68.1 m -63.61 -8.23 9.36 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.717 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 78.8 tt0 -69.16 -39.69 78.63 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.996 179.352 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 47.4 t -61.27 -45.79 93.05 Favored 'General case' 0 N--CA 1.477 0.903 0 CA-C-O 120.782 0.325 . . . . 0.0 111.225 -179.309 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 33.4 mt -62.3 -43.8 97.99 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.012 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.532 ' O ' ' N ' ' A' ' 13' ' ' GLY . 70.8 ttt-85 -72.01 -55.0 8.19 Favored 'General case' 0 C--O 1.216 -0.658 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 -179.587 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 9.8 tp-100 51.39 -77.46 0.01 OUTLIER 'General case' 0 CA--C 1.553 1.095 0 CA-C-N 115.921 -0.582 . . . . 0.0 111.065 -179.119 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.532 ' N ' ' O ' ' A' ' 11' ' ' ARG . . . 87.4 17.14 59.3 Favored Glycine 0 N--CA 1.472 1.043 0 N-CA-C 110.416 -1.074 . . . . 0.0 110.416 179.704 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -74.3 -23.49 75.6 Favored Glycine 0 N--CA 1.474 1.169 0 N-CA-C 111.156 -0.777 . . . . 0.0 111.156 179.536 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 93.48 -73.02 1.26 Allowed Glycine 0 N--CA 1.477 1.381 0 N-CA-C 110.604 -0.998 . . . . 0.0 110.604 -179.561 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 28.7 mtmm -71.85 116.58 12.41 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 179.581 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.4 mt -153.05 134.51 14.36 Favored 'General case' 0 C--O 1.213 -0.85 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 -177.686 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.437 ' O ' ' N ' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -133.7 142.97 48.23 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 106.994 -1.484 . . . . 0.0 106.994 179.652 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 49.0 p90 -33.36 -31.31 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 124.119 0.968 . . . . 0.0 113.221 -179.55 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -72.47 -44.88 61.7 Favored 'General case' 0 C--O 1.214 -0.765 0 N-CA-C 109.06 -0.718 . . . . 0.0 109.06 -178.7 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 18' ' ' ASN . 71.8 mm-40 -59.12 -40.39 85.24 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 115.119 -0.946 . . . . 0.0 109.343 -179.581 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 66.5 mt -74.29 -47.67 33.31 Favored 'General case' 0 CA--C 1.498 -1.041 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.481 178.18 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 32.0 ttm180 -62.79 -53.83 48.25 Favored 'General case' 0 C--N 1.317 -0.813 0 C-N-CA 119.444 -0.902 . . . . 0.0 110.952 -177.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -60.29 -39.65 87.65 Favored 'General case' 0 CA--C 1.501 -0.924 0 CA-C-N 115.094 -0.957 . . . . 0.0 112.001 -176.329 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -71.23 -48.71 49.65 Favored 'General case' 0 N--CA 1.444 -0.745 0 CA-C-O 121.298 0.57 . . . . 0.0 110.332 176.086 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 44.1 mt -64.4 -32.14 73.64 Favored 'General case' 0 N--CA 1.497 1.886 0 CA-C-N 114.597 -1.183 . . . . 0.0 112.221 -176.597 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.8 ttpt -55.3 -44.62 75.92 Favored 'General case' 0 CA--C 1.562 1.441 0 C-N-CA 119.785 -0.766 . . . . 0.0 110.031 178.025 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -61.18 -30.82 74.84 Favored Glycine 0 CA--C 1.536 1.4 0 CA-C-N 116.18 -0.464 . . . . 0.0 112.436 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -70.79 3.23 3.38 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 122.955 0.502 . . . . 0.0 111.643 -178.419 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 71.23 19.1 77.17 Favored Glycine 0 N--CA 1.468 0.822 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 177.109 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -69.97 162.18 28.59 Favored 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 179.632 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 71.8 p -88.79 158.39 18.17 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.536 -176.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -59.51 -44.65 93.09 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 116.727 -0.215 . . . . 0.0 110.593 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.01 -46.41 88.27 Favored 'General case' 0 N--CA 1.473 0.72 0 O-C-N 123.762 0.664 . . . . 0.0 110.021 -179.71 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 69.8 mm-40 -70.02 -43.83 70.53 Favored 'General case' 0 N--CA 1.467 0.382 0 O-C-N 121.666 -0.646 . . . . 0.0 110.767 -177.717 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 85.3 mt -60.52 -50.6 79.74 Favored 'Isoleucine or valine' 0 C--O 1.243 0.734 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.153 -177.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.419 ' O ' ' CD2' ' A' ' 40' ' ' PHE . 11.2 pt-20 -62.73 -42.45 99.67 Favored 'General case' 0 C--N 1.349 0.575 0 CA-C-O 121.766 0.794 . . . . 0.0 111.527 -176.588 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.61 -43.44 93.76 Favored 'General case' 0 C--O 1.222 -0.356 0 CA-C-N 114.69 -1.141 . . . . 0.0 111.367 -178.762 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.1 mp -61.74 -46.85 95.64 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.079 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.595 -173.138 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.419 ' CD2' ' O ' ' A' ' 37' ' ' GLU . 0.5 OUTLIER -66.98 -39.99 87.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.981 0.896 . . . . 0.0 110.39 -178.933 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 52.6 m -59.99 -44.21 94.67 Favored 'General case' 0 CA--C 1.513 -0.45 0 CA-C-N 113.641 -1.618 . . . . 0.0 111.692 -176.036 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -67.68 -49.11 64.45 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 120.281 -0.567 . . . . 0.0 110.197 -179.383 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.44 ' CD1' ' SD ' ' A' ' 59' ' ' MET . 14.6 m-85 -72.55 -32.2 65.89 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 119.971 -0.692 . . . . 0.0 111.408 -177.193 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -106.49 108.18 19.56 Favored 'General case' 0 N--CA 1.481 1.116 0 N-CA-C 106.796 -1.557 . . . . 0.0 106.796 178.523 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.472 ' N ' ' NE2' ' A' ' 45' ' ' GLN . 0.7 OUTLIER -60.95 -51.48 69.09 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 112.326 0.491 . . . . 0.0 112.326 -175.937 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 59.9 m-20 -106.28 -2.31 22.49 Favored 'General case' 0 N--CA 1.477 0.915 0 CA-C-N 118.805 0.729 . . . . 0.0 110.665 178.505 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 53.02 25.54 24.54 Favored Glycine 0 N--CA 1.481 1.691 0 C-N-CA 120.977 -0.63 . . . . 0.0 111.751 -178.679 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 64.2 m-20 -117.7 -12.56 10.26 Favored 'General case' 0 N--CA 1.492 1.637 0 C-N-CA 123.479 0.712 . . . . 0.0 111.98 -178.308 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.1 pm0 -125.81 163.53 22.69 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 123.66 0.784 . . . . 0.0 110.461 -178.24 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 73.4 mt-10 -76.1 148.5 37.84 Favored 'General case' 0 N--CA 1.444 -0.731 0 CA-C-N 114.48 -1.236 . . . . 0.0 108.368 178.745 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 32.1 tp -91.03 120.44 32.02 Favored 'General case' 0 CA--C 1.536 0.415 0 O-C-N 123.616 0.572 . . . . 0.0 109.561 -177.486 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.4 t -79.5 -179.73 7.0 Favored 'General case' 0 CA--C 1.481 -1.688 0 CA-C-N 115.063 -0.971 . . . . 0.0 109.316 -177.169 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.496 ' O ' ' NE2' ' A' ' 57' ' ' GLN . 62.0 mt-10 -73.88 -54.04 8.85 Favored 'General case' 0 N--CA 1.428 -1.548 0 CA-C-N 113.225 -1.807 . . . . 0.0 110.231 -176.454 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -53.29 -49.89 66.04 Favored 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 120.23 -0.588 . . . . 0.0 109.672 -174.659 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 39.8 tp10 -62.21 -44.13 97.26 Favored 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 178.466 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.424 ' NE2' ' O ' ' A' ' 11' ' ' ARG . 29.1 t-80 -59.31 -49.25 78.56 Favored 'General case' 0 C--N 1.355 0.828 0 O-C-N 123.526 0.516 . . . . 0.0 110.067 -179.741 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.496 ' NE2' ' O ' ' A' ' 53' ' ' GLU . 1.4 mp0 -57.75 -34.48 69.58 Favored 'General case' 0 N--CA 1.481 1.078 0 O-C-N 121.808 -0.557 . . . . 0.0 111.342 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 55.6 tt0 -64.67 -55.7 18.47 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 120.543 -0.463 . . . . 0.0 110.873 -178.261 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.44 ' SD ' ' CD1' ' A' ' 43' ' ' TYR . 11.8 ptm -59.11 -35.09 72.83 Favored 'General case' 0 C--N 1.348 0.525 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 179.3 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 58.5 ttp180 -58.51 -48.75 79.8 Favored 'General case' 0 C--N 1.362 1.126 0 C-N-CA 120.181 -0.608 . . . . 0.0 109.73 -175.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 74.0 m-20 -60.62 -35.5 76.32 Favored 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 179.385 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 51.3 m-20 -69.93 -36.66 75.5 Favored 'General case' 0 C--N 1.346 0.456 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 179.209 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 6.9 tp -60.56 -49.04 79.14 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.218 -179.096 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 90.9 mt-10 -57.73 -44.12 85.78 Favored 'General case' 0 CA--C 1.547 0.854 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 178.707 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -60.57 -43.32 97.43 Favored 'General case' 0 N--CA 1.483 1.19 0 CA-C-O 120.877 0.37 . . . . 0.0 110.949 179.597 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 65.6 mt-10 -58.31 -34.82 70.99 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 51.3 ttt85 -53.66 -43.17 68.62 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.339 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -69.89 -32.09 70.24 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.696 179.362 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 57.6 m-20 -78.22 -16.58 57.71 Favored 'General case' 0 N--CA 1.481 1.101 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.246 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 49.2 tp -68.87 -42.52 76.9 Favored 'General case' 0 N--CA 1.48 1.05 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.981 -179.086 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 13.2 p-10 -87.04 -47.51 8.87 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.394 -178.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 79.3 mt -68.96 88.16 0.39 Allowed 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 115.903 -0.59 . . . . 0.0 109.75 179.517 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 67.3 m-20 -71.24 85.35 0.77 Allowed 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 179.289 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 99.5 m-70 -66.58 -32.25 73.47 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 39.8 t 54.34 17.2 1.46 Allowed 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.752 -179.562 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 44.1 t -61.79 -41.27 97.52 Favored 'General case' 0 CA--C 1.518 -0.276 0 CA-C-N 115.207 -0.906 . . . . 0.0 110.092 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 65.1 mt -67.31 146.27 98.78 Favored Pre-proline 0 CA--C 1.557 1.214 0 CA-C-N 115.276 -0.875 . . . . 0.0 110.944 -178.428 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 90.6 Cg_exo . . . . . 0 N--CA 1.519 2.98 0 C-N-CA 122.324 2.016 . . . . 0.0 112.935 178.375 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.5 t -61.27 -17.78 55.19 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.783 179.539 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 51.9 t -61.75 -43.47 97.27 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 CA-C-N 116.035 -0.529 . . . . 0.0 109.772 -179.779 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 51.2 m-20 54.53 61.72 2.88 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-O 121.186 0.517 . . . . 0.0 110.793 -179.31 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 29.5 m-20 -64.18 153.7 37.05 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.66 -179.624 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 41.9 pt -69.81 -24.02 26.35 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.479 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.456 -179.57 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 88.6 p -90.03 10.59 23.56 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.717 -179.051 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 42.3 tp10 -60.95 -40.18 92.33 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 110.169 -0.308 . . . . 0.0 110.169 -178.609 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 49.5 m -58.47 -50.03 75.22 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-O 120.933 0.397 . . . . 0.0 110.193 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 77.8 mt -65.55 -38.05 88.45 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.344 178.753 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 34.9 ttm180 -58.23 -26.03 62.4 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.268 -179.19 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 68.4 tp60 -45.95 -66.57 0.38 Allowed 'General case' 0 CA--C 1.543 0.68 0 O-C-N 123.556 0.535 . . . . 0.0 110.77 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 65.66 18.33 65.85 Favored Glycine 0 C--N 1.339 0.698 0 N-CA-C 110.682 -0.967 . . . . 0.0 110.682 178.604 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -53.58 -12.69 2.51 Favored Glycine 0 CA--C 1.531 1.032 0 N-CA-C 111.974 -0.45 . . . . 0.0 111.974 -179.71 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 99.74 -72.75 0.48 Allowed Glycine 0 N--CA 1.475 1.261 0 N-CA-C 110.54 -1.024 . . . . 0.0 110.54 179.425 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 60.1 mmtt -72.44 107.81 5.19 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 179.44 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 12.8 mt -149.69 134.18 17.5 Favored 'General case' 0 C--O 1.22 -0.469 0 O-C-N 124.039 0.837 . . . . 0.0 109.14 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.454 ' O ' ' N ' ' A' ' 21' ' ' GLU . 12.2 t30 -133.07 142.96 49.03 Favored 'General case' 0 C--O 1.218 -0.562 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 178.221 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 47.6 p90 -33.59 -30.67 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 123.896 0.878 . . . . 0.0 113.071 -179.132 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.421 ' H ' ' ND2' ' A' ' 18' ' ' ASN . 36.4 t70 -72.31 -45.67 58.98 Favored 'General case' 0 C--O 1.211 -0.938 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.504 -179.539 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 18' ' ' ASN . 69.7 mm-40 -59.29 -37.84 78.69 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 115.648 -0.706 . . . . 0.0 109.385 -179.687 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 64.4 mt -74.91 -48.54 24.11 Favored 'General case' 0 CA--C 1.498 -1.054 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.394 178.003 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 37.1 ttp180 -61.33 -52.18 65.76 Favored 'General case' 0 C--N 1.315 -0.915 0 C-N-CA 119.843 -0.743 . . . . 0.0 111.021 -179.094 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 45.4 mm-40 -58.03 -39.26 77.94 Favored 'General case' 0 CA--C 1.501 -0.91 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.681 -176.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -72.37 -49.02 37.11 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-O 121.015 0.435 . . . . 0.0 111.078 175.175 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 46.0 mt -63.7 -31.98 73.33 Favored 'General case' 0 N--CA 1.497 1.92 0 CA-C-N 115.082 -0.963 . . . . 0.0 112.028 -177.116 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.5 ttpt -54.79 -44.81 74.07 Favored 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 120.045 -0.662 . . . . 0.0 109.962 178.503 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.406 ' C ' ' H ' ' A' ' 30' ' ' GLY . . . -63.01 -33.26 86.75 Favored Glycine 0 N--CA 1.472 1.037 0 N-CA-C 111.804 -0.519 . . . . 0.0 111.804 179.738 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -70.29 3.47 2.88 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 122.813 0.445 . . . . 0.0 111.599 -178.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.406 ' H ' ' C ' ' A' ' 28' ' ' GLY . . . 70.8 19.35 76.72 Favored Glycine 0 N--CA 1.467 0.707 0 N-CA-C 110.799 -0.92 . . . . 0.0 110.799 176.722 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -68.27 162.32 25.35 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 69.9 p -91.1 159.02 16.32 Favored 'General case' 0 CA--C 1.506 -0.727 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.814 -177.52 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 17.6 p-10 -60.79 -44.44 96.82 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.427 179.798 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.08 -46.66 87.7 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 123.789 0.68 . . . . 0.0 109.85 -178.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 67.8 mm-40 -68.48 -42.44 78.68 Favored 'General case' 0 N--CA 1.469 0.501 0 O-C-N 121.72 -0.613 . . . . 0.0 110.58 -178.17 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 51.9 mt -59.9 -50.83 78.6 Favored 'Isoleucine or valine' 0 C--O 1.239 0.517 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.107 -178.037 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -63.72 -41.78 98.02 Favored 'General case' 0 C--N 1.346 0.427 0 CA-C-O 121.482 0.658 . . . . 0.0 111.933 -176.094 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.31 -45.66 83.44 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 114.883 -1.053 . . . . 0.0 111.795 -177.48 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.3 mp -62.24 -46.87 95.43 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.477 0 C-N-CA 119.948 -0.701 . . . . 0.0 111.29 -173.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -66.91 -41.39 87.17 Favored 'General case' 0 C--O 1.212 -0.912 0 CA-C-O 121.612 0.72 . . . . 0.0 109.864 -178.682 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 7.1 m -58.26 -41.9 85.25 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 114.498 -1.228 . . . . 0.0 110.406 -175.467 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 26.0 mmtp -67.31 -48.86 66.36 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.097 -179.282 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 -72.14 -32.19 66.69 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 119.892 -0.723 . . . . 0.0 109.949 -177.603 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -108.4 108.17 19.03 Favored 'General case' 0 N--CA 1.486 1.374 0 N-CA-C 109.894 -0.41 . . . . 0.0 109.894 -179.419 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.484 ' N ' ' NE2' ' A' ' 45' ' ' GLN . 1.1 mp0 -63.22 -50.6 69.59 Favored 'General case' 0 C--O 1.238 0.497 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.611 -177.237 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 61.9 m-20 -105.04 -2.04 24.92 Favored 'General case' 0 N--CA 1.478 0.973 0 CA-C-N 118.301 0.5 . . . . 0.0 111.559 -179.558 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 51.37 22.67 7.71 Favored Glycine 0 N--CA 1.476 1.362 0 C-N-CA 121.067 -0.587 . . . . 0.0 112.645 -179.681 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -118.15 -14.35 9.9 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 122.788 0.435 . . . . 0.0 111.747 -178.325 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -122.77 167.97 12.83 Favored 'General case' 0 N--CA 1.477 0.904 0 CA-C-O 121.557 0.694 . . . . 0.0 110.56 -177.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -75.4 149.83 38.49 Favored 'General case' 0 CA--C 1.519 -0.212 0 C-N-CA 125.018 1.327 . . . . 0.0 109.496 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 95.7 mt -88.9 120.16 30.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.662 0.744 . . . . 0.0 110.936 -176.036 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.433 ' CG2' ' H ' ' A' ' 53' ' ' GLU . 63.8 m -79.12 168.62 19.37 Favored 'General case' 0 N--CA 1.438 -1.042 0 CA-C-N 114.241 -1.345 . . . . 0.0 107.986 -177.363 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.433 ' H ' ' CG2' ' A' ' 52' ' ' THR . 87.6 mt-10 -70.04 -52.05 27.15 Favored 'General case' 0 C--O 1.208 -1.125 0 CA-C-N 113.751 -1.568 . . . . 0.0 110.324 -178.776 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -54.13 -50.26 67.32 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 119.889 -0.725 . . . . 0.0 109.678 -173.647 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 44.0 tp10 -62.68 -51.52 66.89 Favored 'General case' 0 C--O 1.222 -0.352 0 CA-C-O 120.769 0.319 . . . . 0.0 110.292 178.644 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 36.7 t-80 -58.36 -51.75 68.48 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.503 -178.192 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -58.08 -34.56 70.28 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 121.064 -0.254 . . . . 0.0 111.239 -179.804 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 48.4 tt0 -66.89 -54.37 22.92 Favored 'General case' 0 CA--C 1.538 0.515 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 -179.557 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 36.0 mmt -62.4 -34.72 77.28 Favored 'General case' 0 C--N 1.351 0.645 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 179.638 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 72.4 ttt180 -58.48 -48.1 81.89 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 119.542 -0.863 . . . . 0.0 110.091 -178.245 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -60.07 -41.93 93.44 Favored 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 179.422 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -62.8 -39.37 94.06 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 115.422 -0.808 . . . . 0.0 109.382 178.346 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.75 -47.61 84.45 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.453 -177.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 75.3 tt0 -57.32 -43.8 83.61 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-O 121.11 0.481 . . . . 0.0 110.088 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -62.52 -41.82 99.11 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.469 179.38 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 91.3 mt-10 -62.57 -48.48 79.3 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 110.129 -0.322 . . . . 0.0 110.129 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 86.0 mtm180 -53.61 -42.52 67.8 Favored 'General case' 0 N--CA 1.475 0.797 0 O-C-N 123.036 0.21 . . . . 0.0 110.785 -179.096 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 74.3 tt0 -61.04 -65.77 0.64 Allowed 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 120.893 -0.323 . . . . 0.0 110.408 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 74.7 m-20 -56.16 -43.04 77.94 Favored 'General case' 0 N--CA 1.477 0.881 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.185 -178.763 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 57.2 tp -58.61 -34.57 71.27 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.683 -179.696 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -71.99 -55.13 7.97 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 -178.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 77.1 mt -67.52 -6.21 18.71 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.568 -179.167 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -58.92 98.49 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 110.132 -0.322 . . . . 0.0 110.132 179.625 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 72.7 m80 -67.09 -25.27 66.14 Favored 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 37.0 t -62.2 -17.92 59.54 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.743 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 69.2 m -58.29 -36.98 74.12 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.132 179.403 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 10.9 mp -64.14 152.67 87.43 Favored Pre-proline 0 CA--C 1.551 0.985 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.705 -178.394 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_exo . . . . . 0 N--CA 1.508 2.371 0 C-N-CA 122.572 2.181 . . . . 0.0 113.019 177.896 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 36.2 t . . . . . 0 N--CA 1.467 0.386 0 CA-C-O 120.618 0.246 . . . . 0.0 111.431 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 74.5 mm-40 -67.45 -46.67 72.38 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 115.969 -0.559 . . . . 0.0 109.912 178.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 85.3 p -62.4 -42.56 99.52 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-O 120.99 0.424 . . . . 0.0 110.692 179.582 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 45.1 mt -65.18 -37.4 87.22 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.697 -179.129 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 79.6 ttt180 -59.27 -44.01 92.47 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 116.125 -0.488 . . . . 0.0 109.974 -179.63 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 98.2 mm-40 -58.78 152.49 18.92 Favored 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 179.324 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 144.62 18.95 0.19 Allowed Glycine 0 N--CA 1.475 1.28 0 N-CA-C 110.391 -1.084 . . . . 0.0 110.391 -178.379 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -67.13 59.35 0.24 Allowed Glycine 0 N--CA 1.472 1.088 0 N-CA-C 111.357 -0.697 . . . . 0.0 111.357 -179.482 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 63.65 -73.36 0.04 OUTLIER Glycine 0 C--N 1.337 0.637 0 N-CA-C 111.597 -0.601 . . . . 0.0 111.597 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 56.7 mtpt -82.58 107.57 15.32 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.9 tp -150.46 136.5 18.5 Favored 'General case' 0 C--O 1.224 -0.285 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 178.863 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 -149.43 156.45 42.04 Favored 'General case' 0 CA--C 1.511 -0.553 0 N-CA-C 108.385 -0.968 . . . . 0.0 108.385 -179.694 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 44.0 p90 -31.27 -36.2 0.01 OUTLIER 'General case' 0 C--O 1.206 -1.192 0 O-C-N 124.945 1.403 . . . . 0.0 112.593 -177.358 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -71.71 -45.87 60.44 Favored 'General case' 0 N--CA 1.482 1.134 0 CA-C-O 121.719 0.771 . . . . 0.0 112.579 179.457 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 65.4 mm-40 -61.51 -45.93 92.13 Favored 'General case' 0 N--CA 1.483 1.223 0 N-CA-C 112.543 0.571 . . . . 0.0 112.543 -177.431 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.401 HD12 ' N ' ' A' ' 23' ' ' ARG . 2.6 pp -76.5 -46.89 24.72 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 115.233 -0.894 . . . . 0.0 112.406 178.162 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.401 ' N ' HD12 ' A' ' 22' ' ' LEU . 3.9 tmm_? -60.4 -49.41 77.7 Favored 'General case' 0 N--CA 1.495 1.797 0 C-N-CA 120.619 -0.432 . . . . 0.0 111.678 -175.695 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -59.17 -34.61 72.32 Favored 'General case' 0 CA--C 1.504 -0.793 0 CA-C-N 116.192 -0.458 . . . . 0.0 112.131 -178.63 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -71.49 -47.83 53.01 Favored 'General case' 0 N--CA 1.447 -0.595 0 CA-C-O 121.621 0.724 . . . . 0.0 110.409 176.375 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 60.7 mt -63.82 -31.8 73.09 Favored 'General case' 0 N--CA 1.498 1.973 0 CA-C-N 114.971 -1.013 . . . . 0.0 111.899 -176.784 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.4 ttpt -55.12 -43.88 74.51 Favored 'General case' 0 CA--C 1.549 0.933 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.786 178.734 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -63.2 -34.76 90.84 Favored Glycine 0 N--CA 1.474 1.207 0 N-CA-C 111.274 -0.73 . . . . 0.0 111.274 179.441 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -70.69 2.48 4.09 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 122.962 0.505 . . . . 0.0 111.517 -179.135 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 72.15 19.7 78.69 Favored Glycine 0 N--CA 1.46 0.272 0 CA-C-N 115.703 -0.681 . . . . 0.0 111.639 177.283 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -66.82 162.35 21.77 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 117.964 0.882 . . . . 0.0 110.181 -179.732 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 72.9 p -90.99 158.51 16.66 Favored 'General case' 0 CA--C 1.502 -0.89 0 CA-C-N 115.716 -0.675 . . . . 0.0 109.516 -176.398 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.457 ' O ' ' HG3' ' A' ' 37' ' ' GLU . 72.2 m-20 -63.29 -44.92 93.66 Favored 'General case' 0 C--O 1.212 -0.897 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 -179.825 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.18 -46.15 86.28 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 120.43 -0.508 . . . . 0.0 110.453 -179.134 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 65.2 mm-40 -65.64 -46.16 80.24 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-O 121.366 0.603 . . . . 0.0 110.475 -177.266 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 64.7 mt -56.85 -48.58 81.03 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.856 0 CA-C-N 114.673 -1.148 . . . . 0.0 108.65 -179.037 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.457 ' HG3' ' O ' ' A' ' 33' ' ' ASP . 77.1 mt-10 -59.56 -48.6 81.04 Favored 'General case' 0 CA--C 1.501 -0.916 0 C-N-CA 122.945 0.498 . . . . 0.0 111.592 -179.482 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.6 -44.78 95.44 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.964 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.4 mp -62.32 -47.86 91.05 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.946 0 C-N-CA 118.923 -1.111 . . . . 0.0 112.752 -174.676 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -67.74 -43.78 79.09 Favored 'General case' 0 CA--C 1.501 -0.936 0 CA-C-O 121.393 0.615 . . . . 0.0 110.198 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 26.9 m -58.02 -44.98 87.63 Favored 'General case' 0 C--N 1.347 0.471 0 CA-C-N 114.385 -1.279 . . . . 0.0 111.357 -176.81 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -64.78 -50.25 67.51 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 120.652 -0.419 . . . . 0.0 110.542 -179.667 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 36.6 m-85 -72.06 -33.01 67.6 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 119.022 -1.071 . . . . 0.0 110.175 -178.455 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -103.17 100.53 10.45 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 122.742 0.417 . . . . 0.0 110.439 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 34.6 mm-40 -63.24 -52.33 62.57 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-O 118.778 -0.63 . . . . 0.0 111.601 -176.525 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -106.94 -2.77 20.9 Favored 'General case' 0 C--N 1.364 1.237 0 CA-C-N 119.343 0.974 . . . . 0.0 111.611 177.817 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 39.91 42.8 2.3 Favored Glycine 0 N--CA 1.496 2.692 0 CA-C-N 117.717 0.235 . . . . 0.0 113.602 -178.774 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -115.57 -23.4 8.78 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 123.484 0.714 . . . . 0.0 111.627 -178.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -127.88 174.51 9.09 Favored 'General case' 0 N--CA 1.486 1.328 0 CA-C-O 121.441 0.639 . . . . 0.0 110.731 -178.352 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 19.8 mp0 -76.18 147.3 38.54 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 114.799 -1.091 . . . . 0.0 109.377 179.611 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -91.67 118.91 31.07 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.592 -177.885 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.0 t -79.75 -178.48 6.42 Favored 'General case' 0 N--CA 1.426 -1.668 0 CA-C-N 114.437 -1.256 . . . . 0.0 108.437 -175.772 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 92.3 mt-10 -69.44 -58.51 3.9 Favored 'General case' 0 C--N 1.299 -1.593 0 CA-C-N 113.058 -1.883 . . . . 0.0 111.633 -178.133 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 94.5 m-70 -56.88 -50.71 71.68 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 120.319 -0.553 . . . . 0.0 110.901 -174.503 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -60.22 -50.76 72.4 Favored 'General case' 0 C--N 1.343 0.296 0 CA-C-N 118.731 0.696 . . . . 0.0 110.608 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 55.3 t-80 -62.67 -50.54 70.78 Favored 'General case' 0 CA--C 1.549 0.942 0 CA-C-O 119.367 -0.349 . . . . 0.0 111.908 -179.471 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -62.53 -40.5 96.97 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-N 118.312 0.506 . . . . 0.0 111.479 -179.212 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 46.2 tt0 -59.4 -54.6 44.85 Favored 'General case' 0 N--CA 1.481 1.083 0 CA-C-N 118.086 0.403 . . . . 0.0 110.735 -177.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 36.4 mmt -62.1 -38.89 90.58 Favored 'General case' 0 C--N 1.348 0.515 0 O-C-N 122.445 -0.16 . . . . 0.0 110.677 -179.406 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 71.3 ttp85 -58.81 -48.2 82.12 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.466 -176.697 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 77.5 m-20 -62.83 -43.31 99.14 Favored 'General case' 0 CA--C 1.531 0.216 0 N-CA-C 109.897 -0.408 . . . . 0.0 109.897 179.071 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 56.2 m-20 -63.2 -47.04 84.25 Favored 'General case' 0 CA--C 1.545 0.775 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.587 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -64.28 -46.08 85.22 Favored 'General case' 0 N--CA 1.476 0.863 0 O-C-N 122.311 -0.243 . . . . 0.0 110.677 179.623 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 75.8 tt0 -58.26 -47.91 82.09 Favored 'General case' 0 C--N 1.348 0.539 0 C-N-CA 120.517 -0.473 . . . . 0.0 110.379 179.481 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 33.7 mmtm -60.85 -38.25 84.91 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 122.683 0.393 . . . . 0.0 111.662 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 90.4 mt-10 -70.81 -43.12 69.29 Favored 'General case' 0 N--CA 1.475 0.788 0 O-C-N 123.44 0.462 . . . . 0.0 109.875 178.36 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -55.01 -45.11 75.09 Favored 'General case' 0 N--CA 1.477 0.898 0 CA-C-O 120.698 0.285 . . . . 0.0 111.0 -179.27 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 . . . . . 0 N--CA 1.473 0.676 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 179.102 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 37.1 t . . . . . 0 N--CA 1.473 0.695 0 N-CA-C 112.012 0.375 . . . . 0.0 112.012 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -60.95 -40.71 94.38 Favored 'General case' 0 N--CA 1.481 1.117 0 CA-C-O 120.488 0.185 . . . . 0.0 110.927 -179.146 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 52.0 m -68.46 -47.38 67.28 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-O 121.155 0.502 . . . . 0.0 109.767 178.839 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 81.2 mt -63.27 -35.43 80.32 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.778 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 68.0 ttt-85 -58.84 -26.03 63.79 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 116.517 -0.311 . . . . 0.0 110.912 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -52.66 -69.24 0.12 Allowed 'General case' 0 N--CA 1.48 1.032 0 CA-C-O 120.562 0.22 . . . . 0.0 110.728 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 66.1 18.34 66.82 Favored Glycine 0 N--CA 1.471 0.967 0 N-CA-C 110.696 -0.962 . . . . 0.0 110.696 179.561 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -48.81 -20.38 1.77 Allowed Glycine 0 CA--C 1.53 0.989 0 N-CA-C 112.308 -0.317 . . . . 0.0 112.308 -179.676 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 105.83 -73.3 0.22 Allowed Glycine 0 N--CA 1.476 1.354 0 N-CA-C 110.369 -1.093 . . . . 0.0 110.369 179.461 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 57.2 mtpt -68.89 108.3 3.42 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.8 mt -146.85 128.9 15.53 Favored 'General case' 0 N--CA 1.483 1.216 0 N-CA-C 108.358 -0.979 . . . . 0.0 108.358 179.321 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.426 ' ND2' ' CE2' ' A' ' 19' ' ' PHE . 14.9 t-20 -131.51 143.71 50.59 Favored 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 107.078 -1.452 . . . . 0.0 107.078 179.122 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.426 ' CE2' ' ND2' ' A' ' 18' ' ' ASN . 51.1 p90 -31.37 -34.24 0.01 OUTLIER 'General case' 0 C--O 1.21 -0.988 0 O-C-N 124.245 0.966 . . . . 0.0 113.066 -176.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -73.29 -45.13 57.4 Favored 'General case' 0 N--CA 1.481 1.095 0 N-CA-C 112.596 0.591 . . . . 0.0 112.596 178.408 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 68.8 mm-40 -60.88 -44.92 96.43 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 112.785 0.661 . . . . 0.0 112.785 -177.137 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.9 pp -76.85 -46.34 25.06 Favored 'General case' 0 CA--C 1.549 0.923 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.401 177.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.7 tmm_? -61.1 -49.85 75.64 Favored 'General case' 0 N--CA 1.485 1.284 0 O-C-N 122.356 -0.215 . . . . 0.0 111.353 -176.226 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -56.1 -35.36 66.96 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 112.422 0.527 . . . . 0.0 112.422 -178.644 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -72.74 -48.52 37.95 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 113.287 0.847 . . . . 0.0 113.287 177.298 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 24.9 mt -61.42 -31.57 71.5 Favored 'General case' 0 N--CA 1.483 1.193 0 CA-C-N 115.229 -0.896 . . . . 0.0 111.22 -177.317 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -56.42 -43.96 79.89 Favored 'General case' 0 CA--C 1.547 0.828 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 178.454 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -63.98 -35.91 92.6 Favored Glycine 0 CA--C 1.535 1.291 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.414 178.878 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -70.39 4.4 2.33 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 122.69 0.396 . . . . 0.0 111.503 -179.268 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 71.44 19.48 77.69 Favored Glycine 0 N--CA 1.469 0.86 0 CA-C-N 115.742 -0.663 . . . . 0.0 112.436 177.751 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -68.56 162.86 24.87 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 118.081 0.941 . . . . 0.0 110.183 179.37 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 68.2 p -94.57 159.72 14.96 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 115.296 -0.865 . . . . 0.0 110.11 -177.113 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -61.44 -41.57 97.4 Favored 'General case' 0 N--CA 1.462 0.151 0 N-CA-C 109.894 -0.41 . . . . 0.0 109.894 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.72 -47.06 87.16 Favored 'General case' 0 CA--C 1.542 0.672 0 O-C-N 123.324 0.39 . . . . 0.0 110.12 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.436 ' O ' HD13 ' A' ' 39' ' ' ILE . 70.0 mm-40 -67.67 -46.78 71.38 Favored 'General case' 0 N--CA 1.477 0.92 0 O-C-N 121.363 -0.835 . . . . 0.0 110.712 -178.22 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 78.1 mt -57.72 -50.17 78.39 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.86 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.036 -177.875 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -64.19 -41.68 96.99 Favored 'General case' 0 C--N 1.349 0.562 0 CA-C-O 121.739 0.78 . . . . 0.0 111.754 -177.333 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.71 -44.6 85.63 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-N 115.404 -0.816 . . . . 0.0 111.368 -179.476 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.436 HD13 ' O ' ' A' ' 35' ' ' GLU . 1.4 mp -62.15 -46.45 96.44 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 C-N-CA 119.847 -0.741 . . . . 0.0 112.483 -175.662 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -67.44 -38.4 84.46 Favored 'General case' 0 N--CA 1.478 0.942 0 CA-C-O 121.792 0.806 . . . . 0.0 110.959 -179.054 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 23.7 m -61.77 -46.53 89.19 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 114.219 -1.355 . . . . 0.0 111.861 -176.208 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 60.8 mttp -68.21 -48.94 63.84 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.417 179.349 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -72.36 -32.46 66.48 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 120.325 -0.55 . . . . 0.0 110.799 -177.841 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -109.64 106.07 15.59 Favored 'General case' 0 N--CA 1.494 1.731 0 N-CA-C 108.096 -1.076 . . . . 0.0 108.096 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 17.3 mm-40 -59.94 -50.4 73.92 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 112.764 0.653 . . . . 0.0 112.764 -176.088 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 28.0 t0 -106.11 -2.42 22.65 Favored 'General case' 0 N--CA 1.49 1.54 0 CA-C-N 119.37 0.987 . . . . 0.0 111.82 178.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 41.17 32.38 0.63 Allowed Glycine 0 N--CA 1.484 1.839 0 N-CA-C 113.811 0.285 . . . . 0.0 113.811 -179.242 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -114.35 -16.38 11.99 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 123.308 0.643 . . . . 0.0 111.497 -178.127 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.455 ' NE2' ' O ' ' A' ' 50' ' ' GLU . 0.0 OUTLIER -130.69 -172.05 2.71 Favored 'General case' 0 N--CA 1.488 1.471 0 C-N-CA 122.78 0.432 . . . . 0.0 110.738 -178.123 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.455 ' O ' ' NE2' ' A' ' 49' ' ' GLN . 72.8 mm-40 -75.73 147.25 39.47 Favored 'General case' 0 C--N 1.342 0.244 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 -178.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 41.0 tp -90.42 123.3 34.02 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-O 121.764 0.793 . . . . 0.0 109.661 -176.537 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.461 HG22 ' N ' ' A' ' 53' ' ' GLU . 59.0 m -80.67 167.37 20.1 Favored 'General case' 0 N--CA 1.436 -1.133 0 CA-C-N 114.558 -1.201 . . . . 0.0 110.099 -177.269 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.461 ' N ' HG22 ' A' ' 52' ' ' THR . 71.0 mm-40 -72.34 -48.54 41.12 Favored 'General case' 0 N--CA 1.438 -1.065 0 CA-C-N 112.572 -2.104 . . . . 0.0 109.708 -179.57 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' HIS . . . . . 0.41 ' H ' HG22 ' A' ' 52' ' ' THR . 84.7 t60 -54.64 -50.68 67.56 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 119.801 -0.76 . . . . 0.0 110.294 -175.602 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 71.4 mt-10 -62.34 -44.74 95.77 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 118.686 0.675 . . . . 0.0 110.112 179.201 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 -65.69 -54.34 28.74 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 111.966 0.358 . . . . 0.0 111.966 -179.085 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.1 mp0 -57.32 -38.51 74.17 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 118.361 0.528 . . . . 0.0 110.752 -178.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 7.6 tp-100 -64.66 -54.59 29.31 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 179.768 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 30.4 tpp -62.58 -36.01 81.34 Favored 'General case' 0 C--N 1.351 0.644 0 CA-C-O 121.538 0.685 . . . . 0.0 110.893 -179.303 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 70.1 ttp85 -58.7 -47.57 84.11 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.344 -178.239 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -60.91 -36.51 79.46 Favored 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 179.206 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 74.8 m-20 -65.08 -40.22 94.34 Favored 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 178.729 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.2 tp -59.58 -49.2 78.69 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.221 -179.392 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 71.8 mm-40 -57.02 -43.92 82.34 Favored 'General case' 0 CA--C 1.552 1.052 0 C-N-CA 120.594 -0.443 . . . . 0.0 110.187 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 13.4 tmtt? -62.97 -44.52 95.83 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 122.792 0.437 . . . . 0.0 111.256 179.627 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 -66.21 -43.49 86.57 Favored 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 110.225 -0.287 . . . . 0.0 110.225 179.013 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 75.0 mtp180 -55.08 -43.06 73.56 Favored 'General case' 0 N--CA 1.481 1.08 0 CA-C-N 117.009 -0.087 . . . . 0.0 110.896 179.636 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 . . . . . 0 N--CA 1.48 1.062 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 179.414 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 54.1 m . . . . . 0 N--CA 1.469 0.511 0 CA-C-O 119.992 -0.051 . . . . 0.0 110.952 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 75.1 tt0 -70.95 -40.13 72.2 Favored 'General case' 0 N--CA 1.479 0.976 0 N-CA-C 110.544 -0.169 . . . . 0.0 110.544 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 47.5 t -59.86 -51.42 69.77 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-O 121.027 0.441 . . . . 0.0 111.106 -179.19 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 21.0 mt -61.74 -43.56 98.62 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.894 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.448 ' O ' ' N ' ' A' ' 13' ' ' GLY . 59.8 ttp180 -67.04 -54.04 25.45 Favored 'General case' 0 C--N 1.345 0.399 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.33 -179.075 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 32.2 tp60 53.92 -78.25 0.01 OUTLIER 'General case' 0 CA--C 1.546 0.813 0 CA-C-N 115.422 -0.808 . . . . 0.0 111.23 -179.454 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 11' ' ' ARG . . . 75.78 16.3 80.75 Favored Glycine 0 N--CA 1.468 0.801 0 N-CA-C 110.636 -0.986 . . . . 0.0 110.636 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -74.96 -21.91 77.68 Favored Glycine 0 N--CA 1.469 0.871 0 N-CA-C 110.976 -0.849 . . . . 0.0 110.976 179.675 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 102.53 -33.73 6.32 Favored Glycine 0 N--CA 1.48 1.605 0 N-CA-C 111.154 -0.778 . . . . 0.0 111.154 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 44.8 mtmt -119.94 126.67 51.46 Favored 'General case' 0 N--CA 1.481 1.089 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 179.482 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.2 tp -154.65 138.6 16.34 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 -179.554 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 14.5 p30 -157.05 165.16 36.88 Favored 'General case' 0 CA--C 1.514 -0.405 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 179.316 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 24.0 p90 -31.3 -41.93 0.04 OUTLIER 'General case' 0 C--O 1.203 -1.35 0 O-C-N 124.75 1.281 . . . . 0.0 113.522 -177.368 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -72.24 -44.82 62.3 Favored 'General case' 0 N--CA 1.483 1.186 0 N-CA-C 112.795 0.665 . . . . 0.0 112.795 -179.199 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 65.8 mm-40 -63.07 -45.35 92.59 Favored 'General case' 0 N--CA 1.481 1.1 0 CA-C-N 115.464 -0.789 . . . . 0.0 112.721 -176.017 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.476 HD12 ' N ' ' A' ' 23' ' ' ARG . 1.8 pp -77.5 -47.56 19.28 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.658 -0.701 . . . . 0.0 112.847 178.355 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.476 ' N ' HD12 ' A' ' 22' ' ' LEU . 1.9 ppt_? -60.88 -45.85 92.94 Favored 'General case' 0 N--CA 1.494 1.76 0 C-N-CA 120.082 -0.647 . . . . 0.0 111.899 -173.202 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 18.2 pt20 -56.16 -35.39 67.14 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.711 -0.677 . . . . 0.0 112.193 -178.076 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -72.36 -48.4 42.06 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 123.678 0.791 . . . . 0.0 112.687 178.227 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 95.9 mt -61.91 -31.47 71.78 Favored 'General case' 0 N--CA 1.484 1.251 0 CA-C-N 114.893 -1.048 . . . . 0.0 111.363 -177.427 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.2 ttpt -56.06 -45.45 79.29 Favored 'General case' 0 CA--C 1.547 0.83 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 178.555 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -62.01 -35.51 91.53 Favored Glycine 0 CA--C 1.533 1.173 0 N-CA-C 111.135 -0.786 . . . . 0.0 111.135 178.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -70.68 2.96 3.51 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 122.844 0.458 . . . . 0.0 111.157 -179.364 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 72.04 19.75 78.58 Favored Glycine 0 N--CA 1.466 0.657 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.943 177.776 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -66.93 162.38 22.01 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 117.7 0.75 . . . . 0.0 110.272 179.52 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 60.4 p -96.04 162.99 13.32 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 115.09 -0.959 . . . . 0.0 109.69 -176.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 -61.8 -40.19 94.35 Favored 'General case' 0 C--O 1.234 0.267 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.32 -46.97 87.12 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 179.669 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.42 ' O ' HD13 ' A' ' 39' ' ' ILE . 73.8 mt-10 -69.37 -48.07 62.37 Favored 'General case' 0 N--CA 1.472 0.627 0 O-C-N 121.205 -0.934 . . . . 0.0 110.028 -178.244 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 78.8 mt -57.14 -50.53 76.24 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.812 -176.702 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -64.1 -38.58 91.59 Favored 'General case' 0 C--N 1.349 0.581 0 CA-C-O 121.197 0.522 . . . . 0.0 111.21 -178.306 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.01 -45.36 81.83 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.037 -179.418 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.42 HD13 ' O ' ' A' ' 35' ' ' GLU . 1.4 mp -61.94 -46.59 96.17 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.759 0 C-N-CA 120.082 -0.647 . . . . 0.0 112.035 -175.56 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -67.18 -41.0 86.62 Favored 'General case' 0 CA--C 1.508 -0.642 0 CA-C-O 121.263 0.554 . . . . 0.0 109.53 -179.495 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 16.6 m -61.09 -46.53 90.26 Favored 'General case' 0 C--N 1.35 0.595 0 CA-C-N 114.853 -1.067 . . . . 0.0 111.097 -175.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 60.5 mttp -69.6 -48.79 58.9 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.377 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.668 ' O ' HD11 ' A' ' 51' ' ' LEU . 8.8 m-85 -71.84 -32.09 67.18 Favored 'General case' 0 C--O 1.209 -1.037 0 C-N-CA 119.204 -0.998 . . . . 0.0 109.969 -176.487 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -112.67 105.35 13.49 Favored 'General case' 0 N--CA 1.483 1.191 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 -179.205 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 27.2 mm-40 -60.1 -50.89 71.93 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 120.746 -0.382 . . . . 0.0 111.833 -177.005 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 64.0 m-20 -105.77 -2.48 23.15 Favored 'General case' 0 N--CA 1.482 1.129 0 CA-C-N 118.719 0.69 . . . . 0.0 111.685 179.209 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 48.3 26.47 4.9 Favored Glycine 0 N--CA 1.484 1.9 0 C-N-CA 121.47 -0.395 . . . . 0.0 112.371 -179.286 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 70.4 m-20 -117.43 -18.71 9.76 Favored 'General case' 0 N--CA 1.489 1.493 0 C-N-CA 123.35 0.66 . . . . 0.0 111.848 -178.507 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.5 pp0? -120.19 164.2 16.59 Favored 'General case' 0 N--CA 1.49 1.527 0 C-N-CA 123.276 0.63 . . . . 0.0 110.566 -177.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -76.52 147.41 37.78 Favored 'General case' 0 C--N 1.343 0.298 0 C-N-CA 124.144 0.978 . . . . 0.0 109.516 178.771 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.668 HD11 ' O ' ' A' ' 43' ' ' TYR . 3.5 mm? -91.93 118.91 31.2 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-O 122.123 0.964 . . . . 0.0 111.06 -178.327 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.9 t -79.9 -178.1 6.29 Favored 'General case' 0 CA--C 1.493 -1.237 0 CA-C-N 113.426 -1.715 . . . . 0.0 108.218 -177.679 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 92.2 mt-10 -65.26 -58.75 5.17 Favored 'General case' 0 C--N 1.308 -1.212 0 CA-C-N 113.782 -1.554 . . . . 0.0 111.026 -177.88 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 65.9 m80 -54.76 -50.28 68.8 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 120.364 -0.534 . . . . 0.0 110.499 -174.777 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 70.6 mm-40 -61.22 -48.01 83.45 Favored 'General case' 0 C--O 1.218 -0.597 0 CA-C-N 118.137 0.426 . . . . 0.0 109.965 178.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 41.5 t-80 -62.55 -53.09 59.91 Favored 'General case' 0 CA--C 1.551 1.015 0 N-CA-C 112.363 0.505 . . . . 0.0 112.363 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.1 mp0 -61.53 -38.26 86.75 Favored 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 111.78 0.289 . . . . 0.0 111.78 -178.621 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 83.5 mt-30 -60.83 -53.99 50.65 Favored 'General case' 0 N--CA 1.478 0.932 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 34.2 mmt -63.42 -36.71 84.65 Favored 'General case' 0 C--N 1.344 0.358 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 58.2 ttp180 -60.53 -48.81 80.12 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 119.475 -0.89 . . . . 0.0 110.381 -178.755 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 75.9 m-20 -62.3 -36.74 83.07 Favored 'General case' 0 C--N 1.344 0.337 0 CA-C-O 120.916 0.389 . . . . 0.0 110.518 -179.232 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 74.1 m-20 -64.32 -41.38 96.85 Favored 'General case' 0 C--O 1.224 -0.259 0 CA-C-N 115.403 -0.817 . . . . 0.0 108.837 179.302 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.2 tp -61.19 -50.27 73.82 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.459 -179.297 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 72.1 mt-10 -57.17 -46.73 82.53 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 120.554 -0.459 . . . . 0.0 109.853 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -60.91 -43.2 98.88 Favored 'General case' 0 N--CA 1.477 0.894 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.37 179.47 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 90.5 mt-10 -66.56 -46.3 76.53 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 179.465 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 76.5 mtp180 -52.64 -46.15 66.97 Favored 'General case' 0 N--CA 1.481 1.122 0 N-CA-C 111.381 0.141 . . . . 0.0 111.381 -179.676 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 . . . . . 0 N--CA 1.479 0.995 0 CA-C-O 120.788 0.327 . . . . 0.0 110.169 179.303 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 50.0 m . . . . . 0 N--CA 1.472 0.631 0 N-CA-C 111.707 0.262 . . . . 0.0 111.707 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 77.0 tt0 -60.46 -39.44 87.59 Favored 'General case' 0 N--CA 1.481 1.077 0 CA-C-N 117.687 0.221 . . . . 0.0 110.497 -178.85 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 89.0 p -64.22 -39.92 94.96 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 178.629 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 56.4 mt -66.32 -40.78 90.16 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.573 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -58.46 -25.74 62.6 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 122.08 0.152 . . . . 0.0 110.967 -178.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -46.0 -75.95 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.092 0 O-C-N 123.071 0.232 . . . . 0.0 111.059 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 56.69 18.58 24.82 Favored Glycine 0 N--CA 1.474 1.17 0 N-CA-C 110.981 -0.847 . . . . 0.0 110.981 179.152 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -56.41 -7.89 2.29 Favored Glycine 0 CA--C 1.532 1.133 0 N-CA-C 111.833 -0.507 . . . . 0.0 111.833 -179.512 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 105.1 -62.11 0.36 Allowed Glycine 0 N--CA 1.474 1.177 0 N-CA-C 110.54 -1.024 . . . . 0.0 110.54 179.145 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 41.4 mtmt -82.69 107.74 15.54 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 179.704 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.8 tp -151.2 136.2 17.41 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 109.584 -0.525 . . . . 0.0 109.584 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 21.2 p30 -155.56 164.01 39.22 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.057 -0.719 . . . . 0.0 109.057 179.355 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 29.9 p90 -30.95 -40.54 0.03 OUTLIER 'General case' 0 CA--C 1.547 0.862 0 O-C-N 124.641 1.213 . . . . 0.0 113.017 -177.408 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -73.69 -45.32 53.11 Favored 'General case' 0 N--CA 1.486 1.349 0 CA-C-O 121.31 0.576 . . . . 0.0 112.483 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 67.3 mm-40 -61.54 -45.03 95.91 Favored 'General case' 0 N--CA 1.478 0.958 0 CA-C-O 121.185 0.517 . . . . 0.0 112.077 -176.466 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.1 pp -76.46 -46.85 25.08 Favored 'General case' 0 CA--C 1.547 0.832 0 CA-C-N 115.588 -0.733 . . . . 0.0 112.341 178.416 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 8.0 tmm_? -61.31 -49.97 74.84 Favored 'General case' 0 N--CA 1.487 1.418 0 N-CA-C 112.077 0.399 . . . . 0.0 112.077 -175.376 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -59.97 -34.87 73.86 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.903 -178.732 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -71.62 -48.17 49.72 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-O 121.442 0.639 . . . . 0.0 110.203 175.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 22.6 mt -62.97 -32.05 73.3 Favored 'General case' 0 N--CA 1.494 1.735 0 CA-C-N 114.877 -1.056 . . . . 0.0 111.779 -176.546 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.2 ttpt -55.34 -43.39 74.96 Favored 'General case' 0 CA--C 1.55 0.95 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 178.854 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -64.11 -35.77 92.41 Favored Glycine 0 CA--C 1.534 1.267 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.744 179.081 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -70.55 2.91 3.47 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 122.702 0.401 . . . . 0.0 111.337 -178.832 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 71.48 19.42 77.71 Favored Glycine 0 N--CA 1.467 0.742 0 CA-C-N 115.707 -0.679 . . . . 0.0 112.275 177.32 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -67.07 162.47 22.17 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-N 117.832 0.816 . . . . 0.0 110.399 179.76 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 71.8 p -90.37 158.91 16.88 Favored 'General case' 0 CA--C 1.503 -0.861 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.44 -176.768 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.466 ' O ' ' HG3' ' A' ' 37' ' ' GLU . 73.3 m-20 -62.89 -45.21 93.6 Favored 'General case' 0 C--O 1.213 -0.817 0 N-CA-C 109.786 -0.449 . . . . 0.0 109.786 -179.647 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.51 -46.52 86.57 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 120.519 -0.472 . . . . 0.0 110.889 -179.482 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 62.2 mm-40 -65.61 -42.41 91.64 Favored 'General case' 0 N--CA 1.479 0.986 0 CA-C-O 121.175 0.512 . . . . 0.0 110.839 -176.617 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 66.9 mt -57.34 -47.11 85.18 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.514 0 CA-C-N 115.356 -0.838 . . . . 0.0 109.053 179.663 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.466 ' HG3' ' O ' ' A' ' 33' ' ' ASP . 76.8 mt-10 -57.87 -47.03 83.92 Favored 'General case' 0 CA--C 1.507 -0.706 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.53 -179.45 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.11 -44.68 96.98 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.392 -179.622 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.6 mp -63.48 -47.22 92.64 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.9 0 C-N-CA 118.872 -1.131 . . . . 0.0 111.369 -175.444 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -67.95 -44.78 76.0 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-O 121.69 0.757 . . . . 0.0 110.926 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 40.9 m -59.23 -46.72 87.72 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-N 114.312 -1.313 . . . . 0.0 111.803 -176.737 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -69.62 -48.97 58.2 Favored 'General case' 0 N--CA 1.446 -0.655 0 C-N-CA 121.064 -0.255 . . . . 0.0 110.366 -179.64 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 -71.28 -32.14 68.32 Favored 'General case' 0 C--N 1.352 0.699 0 C-N-CA 119.69 -0.804 . . . . 0.0 110.167 -176.667 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -112.24 103.6 11.76 Favored 'General case' 0 N--CA 1.483 1.223 0 N-CA-C 108.998 -0.741 . . . . 0.0 108.998 -179.125 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.454 ' NE2' ' OE2' ' A' ' 55' ' ' GLU . 1.8 mp0 -60.19 -51.2 70.58 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-O 118.905 -0.569 . . . . 0.0 111.184 -176.779 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 65.4 m-20 -106.04 -2.23 22.99 Favored 'General case' 0 N--CA 1.488 1.438 0 CA-C-N 119.025 0.83 . . . . 0.0 112.31 179.196 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 43.89 34.57 2.98 Favored Glycine 0 N--CA 1.489 2.231 0 CA-C-N 117.611 0.187 . . . . 0.0 113.423 -178.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -116.19 -19.74 10.12 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 123.329 0.652 . . . . 0.0 112.253 -178.088 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -125.71 169.62 12.36 Favored 'General case' 0 N--CA 1.494 1.773 0 CA-C-O 121.134 0.492 . . . . 0.0 110.984 -177.856 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -75.94 147.1 39.18 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 123.541 0.736 . . . . 0.0 109.208 179.446 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -91.93 118.43 30.74 Favored 'General case' 0 N--CA 1.481 1.095 0 CA-C-O 121.939 0.876 . . . . 0.0 110.598 -178.186 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 4.9 t -79.62 -177.98 6.12 Favored 'General case' 0 CA--C 1.498 -1.048 0 CA-C-N 114.169 -1.378 . . . . 0.0 109.263 -176.515 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 91.1 mt-10 -63.53 -60.77 2.91 Favored 'General case' 0 C--N 1.311 -1.086 0 CA-C-N 114.101 -1.409 . . . . 0.0 111.331 -178.015 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 46.4 t-80 -56.3 -50.41 71.51 Favored 'General case' 0 N--CA 1.479 0.975 0 C-N-CA 120.354 -0.538 . . . . 0.0 110.988 -174.854 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.454 ' OE2' ' NE2' ' A' ' 45' ' ' GLN . 44.7 tp10 -60.45 -49.33 77.99 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 118.678 0.672 . . . . 0.0 110.105 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 21.4 t60 -63.54 -50.68 68.58 Favored 'General case' 0 CA--C 1.549 0.916 0 N-CA-C 111.861 0.319 . . . . 0.0 111.861 -179.63 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -60.18 -42.21 94.53 Favored 'General case' 0 CA--C 1.552 1.026 0 CA-C-N 118.419 0.554 . . . . 0.0 111.443 -178.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 79.5 mm-40 -60.18 -54.51 45.02 Favored 'General case' 0 N--CA 1.481 1.118 0 CA-C-N 117.592 0.178 . . . . 0.0 110.966 -178.525 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 35.9 mmt -61.55 -39.99 93.08 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-O 120.956 0.408 . . . . 0.0 110.567 -179.33 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 60.4 ttp180 -59.79 -48.63 80.91 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.809 -178.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -65.34 -35.94 82.52 Favored 'General case' 0 N--CA 1.464 0.258 0 N-CA-C 110.411 -0.218 . . . . 0.0 110.411 179.729 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 79.3 m-20 -66.78 -46.82 74.09 Favored 'General case' 0 C--N 1.341 0.215 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.947 -178.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 10.9 tp -64.56 -47.94 76.88 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.375 -178.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 78.1 tt0 -57.43 -46.55 83.44 Favored 'General case' 0 CA--C 1.547 0.85 0 CA-C-N 118.228 0.467 . . . . 0.0 110.17 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 25.6 mmtp -62.68 -40.97 98.76 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.305 179.756 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 59.7 mm-40 -69.02 -43.48 74.66 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 178.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -54.44 -43.7 71.84 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 122.073 0.149 . . . . 0.0 110.807 -179.289 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 45.2 tp10 . . . . . 0 N--CA 1.474 0.74 0 N-CA-C 109.492 -0.559 . . . . 0.0 109.492 179.639 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 54.7 m . . . . . 0 N--CA 1.47 0.565 0 N-CA-C 110.422 -0.214 . . . . 0.0 110.422 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 39.5 tp10 -61.44 -38.73 88.25 Favored 'General case' 0 N--CA 1.478 0.93 0 CA-C-O 120.811 0.339 . . . . 0.0 110.601 -179.683 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 52.7 m -56.64 -51.29 69.26 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-O 120.797 0.332 . . . . 0.0 110.537 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.721 HD12 ' CE2' ' A' ' 43' ' ' TYR . 4.1 mm? -68.16 -32.91 73.5 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.356 179.201 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 65.1 ttt-85 -58.79 -26.68 64.3 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 116.728 -0.215 . . . . 0.0 110.471 -179.175 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 95.8 mm-40 -43.77 -82.93 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.256 0 O-C-N 123.387 0.43 . . . . 0.0 110.739 178.832 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.406 ' C ' ' H ' ' A' ' 15' ' ' GLY . . . 62.15 18.37 57.57 Favored Glycine 0 N--CA 1.471 1.014 0 N-CA-C 110.701 -0.96 . . . . 0.0 110.701 179.362 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -53.96 -8.38 1.0 Allowed Glycine 0 CA--C 1.538 1.471 0 N-CA-C 111.815 -0.514 . . . . 0.0 111.815 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.406 ' H ' ' C ' ' A' ' 13' ' ' GLY . . . 106.48 -72.27 0.22 Allowed Glycine 0 N--CA 1.474 1.231 0 N-CA-C 110.484 -1.046 . . . . 0.0 110.484 178.913 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 56.6 mtpt -74.46 108.9 7.52 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 179.808 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.7 tp -151.14 135.26 16.72 Favored 'General case' 0 C--O 1.221 -0.433 0 N-CA-C 107.452 -1.314 . . . . 0.0 107.452 179.396 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.454 ' ND2' ' CD2' ' A' ' 19' ' ' PHE . 20.3 t-20 -135.51 145.82 47.47 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.454 ' CD2' ' ND2' ' A' ' 18' ' ' ASN . 44.3 p90 -31.83 -32.29 0.01 OUTLIER 'General case' 0 C--O 1.198 -1.613 0 C-N-CA 124.147 0.979 . . . . 0.0 112.281 -178.887 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -72.53 -45.46 59.2 Favored 'General case' 0 N--CA 1.481 1.082 0 CA-C-O 121.329 0.585 . . . . 0.0 111.973 179.016 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.414 ' N ' ' O ' ' A' ' 18' ' ' ASN . 72.3 mm-40 -59.53 -47.12 86.77 Favored 'General case' 0 N--CA 1.486 1.366 0 CA-C-O 121.401 0.62 . . . . 0.0 111.902 -176.863 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.449 HD12 ' N ' ' A' ' 23' ' ' ARG . 2.6 pp -76.15 -46.83 26.74 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 114.603 -1.18 . . . . 0.0 112.041 178.01 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.449 ' N ' HD12 ' A' ' 22' ' ' LEU . 3.3 ttm-85 -60.33 -49.8 76.14 Favored 'General case' 0 N--CA 1.486 1.353 0 CA-C-O 120.939 0.4 . . . . 0.0 111.074 -175.491 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -58.45 -34.78 71.22 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.938 -0.574 . . . . 0.0 112.301 -178.676 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -70.93 -48.23 54.64 Favored 'General case' 0 N--CA 1.448 -0.551 0 C-N-CA 122.848 0.459 . . . . 0.0 110.345 176.903 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 54.1 mt -61.76 -31.7 71.9 Favored 'General case' 0 N--CA 1.502 2.173 0 CA-C-N 115.111 -0.949 . . . . 0.0 111.775 -176.702 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 34.8 ttpt -55.38 -45.2 76.58 Favored 'General case' 0 CA--C 1.552 1.055 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 178.471 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -61.63 -34.53 88.84 Favored Glycine 0 CA--C 1.536 1.375 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.721 179.407 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp -70.74 1.33 5.52 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 123.016 0.526 . . . . 0.0 111.406 -178.755 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 71.95 19.56 78.37 Favored Glycine 0 N--CA 1.467 0.753 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 177.325 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -67.29 162.76 22.03 Favored 'General case' 0 C--N 1.351 0.634 0 CA-C-N 117.373 0.586 . . . . 0.0 109.798 179.606 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 49.9 p -95.23 161.96 13.88 Favored 'General case' 0 CA--C 1.507 -0.695 0 CA-C-N 115.189 -0.914 . . . . 0.0 109.415 -176.822 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 72.3 m-20 -60.25 -42.24 94.9 Favored 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.45 -46.89 85.65 Favored 'General case' 0 C--N 1.352 0.714 0 O-C-N 123.648 0.593 . . . . 0.0 109.899 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -68.67 -47.6 66.09 Favored 'General case' 0 N--CA 1.473 0.7 0 O-C-N 121.633 -0.667 . . . . 0.0 110.136 -177.646 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 82.3 mt -57.98 -51.18 73.83 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 CA-C-N 115.248 -0.887 . . . . 0.0 110.705 -176.902 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -64.0 -42.07 97.29 Favored 'General case' 0 C--N 1.351 0.669 0 CA-C-O 121.136 0.494 . . . . 0.0 111.415 -177.559 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.23 -45.93 82.66 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 115.195 -0.911 . . . . 0.0 110.962 -178.484 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.3 mp -61.55 -47.26 94.21 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.423 0 CA-C-O 121.066 0.46 . . . . 0.0 111.008 -174.102 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -67.85 -42.1 81.91 Favored 'General case' 0 C--O 1.205 -1.251 0 CA-C-O 121.619 0.723 . . . . 0.0 110.447 -179.506 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 15.5 m -58.32 -45.25 88.4 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 114.827 -1.078 . . . . 0.0 111.077 -175.77 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -67.09 -49.11 66.11 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.061 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.721 ' CE2' HD12 ' A' ' 10' ' ' LEU . 16.7 m-85 -71.62 -31.06 66.48 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 120.506 -0.478 . . . . 0.0 111.02 -177.5 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.447 ' N ' ' OD1' ' A' ' 44' ' ' ASP . 0.3 OUTLIER -105.77 104.6 14.35 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 108.636 -0.875 . . . . 0.0 108.636 -179.149 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.462 ' NE2' ' N ' ' A' ' 45' ' ' GLN . 0.4 OUTLIER -62.77 -52.22 64.06 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 120.233 -0.587 . . . . 0.0 111.359 -177.087 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 64.1 m-20 -107.26 -2.92 20.27 Favored 'General case' 0 C--N 1.362 1.122 0 CA-C-N 119.041 0.837 . . . . 0.0 111.049 178.285 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 42.75 37.89 2.96 Favored Glycine 0 N--CA 1.492 2.389 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 -178.212 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -116.78 -19.75 9.78 Favored 'General case' 0 N--CA 1.491 1.589 0 C-N-CA 123.832 0.853 . . . . 0.0 112.157 -178.649 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -131.07 175.99 8.63 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 123.354 0.662 . . . . 0.0 110.226 -177.873 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 71.7 mt-10 -76.17 147.9 38.13 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 114.677 -1.147 . . . . 0.0 109.5 179.589 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 16.8 mt -90.92 119.17 30.9 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.173 -177.329 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 6.9 t -79.78 -178.39 6.38 Favored 'General case' 0 CA--C 1.489 -1.367 0 CA-C-N 115.122 -0.945 . . . . 0.0 108.72 -177.076 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -68.8 -58.3 4.38 Favored 'General case' 0 C--N 1.305 -1.33 0 CA-C-N 113.407 -1.724 . . . . 0.0 110.661 -177.613 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 80.9 t60 -55.13 -50.13 70.04 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 119.724 -0.79 . . . . 0.0 110.065 -173.668 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 66.3 tt0 -57.94 -51.17 70.76 Favored 'General case' 0 C--O 1.218 -0.553 0 CA-C-N 118.044 0.383 . . . . 0.0 110.214 178.8 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.506 ' HE2' HH21 ' A' ' 60' ' ' ARG . 21.1 t60 -62.76 -52.16 64.3 Favored 'General case' 0 CA--C 1.546 0.827 0 N-CA-C 111.965 0.357 . . . . 0.0 111.965 -179.039 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 4.6 mp0 -58.85 -36.7 75.01 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-N 117.687 0.221 . . . . 0.0 111.445 -179.17 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 48.0 tt0 -65.64 -54.37 28.55 Favored 'General case' 0 CA--C 1.541 0.612 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 -179.55 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 34.1 mmt -62.77 -35.1 78.72 Favored 'General case' 0 C--N 1.353 0.736 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.506 HH21 ' HE2' ' A' ' 56' ' ' HIS . 36.0 ttm180 -59.45 -48.98 79.56 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 119.422 -0.911 . . . . 0.0 110.012 -179.019 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -62.49 -36.43 82.49 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-O 120.715 0.293 . . . . 0.0 110.673 -179.652 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 60.7 m-20 -66.23 -44.83 82.64 Favored 'General case' 0 C--O 1.221 -0.415 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.036 -179.601 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 62.7 tp -60.56 -48.02 83.62 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.775 -179.24 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -57.03 -46.58 82.29 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 110.154 -0.313 . . . . 0.0 110.154 -178.895 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 57.3 mtpt -59.23 -42.02 90.03 Favored 'General case' 0 CA--C 1.551 0.993 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.411 178.481 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -69.88 -42.83 72.95 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 179.494 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 61.9 mtp85 -50.67 -38.92 49.33 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 122.061 0.144 . . . . 0.0 110.755 -179.455 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 . . . . . 0 N--CA 1.483 1.186 0 CA-C-O 120.797 0.332 . . . . 0.0 110.336 178.846 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 48.1 m . . . . . 0 N--CA 1.473 0.696 0 CA-C-O 120.422 0.153 . . . . 0.0 111.228 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -61.72 -43.41 98.91 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-O 120.506 0.193 . . . . 0.0 110.73 179.399 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 60.7 p -67.81 -45.68 74.05 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-O 121.06 0.457 . . . . 0.0 109.809 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 66.1 mt -61.88 -30.34 70.8 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.535 179.224 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 57.6 ttm-85 -58.46 -27.24 64.21 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.496 -179.198 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 54.3 mt-30 -53.66 -93.86 0.0 OUTLIER 'General case' 0 CA--C 1.544 0.737 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.004 179.405 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 60.55 18.71 52.3 Favored Glycine 0 C--N 1.345 1.083 0 N-CA-C 111.079 -0.808 . . . . 0.0 111.079 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -66.52 53.85 0.2 Allowed Glycine 0 C--N 1.344 0.977 0 N-CA-C 111.619 -0.592 . . . . 0.0 111.619 -178.867 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 68.6 -65.73 0.43 Allowed Glycine 0 C--N 1.337 0.62 0 N-CA-C 111.928 -0.469 . . . . 0.0 111.928 178.672 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.692 ' O ' HD22 ' A' ' 17' ' ' LEU . 71.2 mmtt -88.65 106.6 18.43 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 109.716 -0.475 . . . . 0.0 109.716 -179.768 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.692 HD22 ' O ' ' A' ' 16' ' ' LYS . 1.7 mm? -140.07 125.54 19.06 Favored 'General case' 0 C--O 1.21 -0.976 0 O-C-N 124.159 0.912 . . . . 0.0 108.822 179.307 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.454 ' O ' ' N ' ' A' ' 21' ' ' GLU . 0.8 OUTLIER -136.46 141.69 43.55 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 108.053 -1.091 . . . . 0.0 108.053 -179.768 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 54.7 p90 -33.44 -30.1 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.306 1.042 . . . . 0.0 113.185 -178.69 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -66.95 -45.7 76.95 Favored 'General case' 0 C--O 1.21 -1.02 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 179.277 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 18' ' ' ASN . 69.2 mm-40 -59.35 -41.02 88.24 Favored 'General case' 0 N--CA 1.476 0.872 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.812 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.542 HD21 HD12 ' A' ' 17' ' ' LEU . 61.6 mt -74.88 -47.98 27.25 Favored 'General case' 0 N--CA 1.48 1.037 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.837 178.906 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 36.6 ttm180 -62.17 -54.29 43.11 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.737 -178.236 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 51.7 mm-40 -59.88 -36.47 76.98 Favored 'General case' 0 CA--C 1.501 -0.93 0 CA-C-N 115.562 -0.745 . . . . 0.0 111.811 -176.311 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 39.1 t70 -72.17 -49.43 35.78 Favored 'General case' 0 N--CA 1.444 -0.756 0 CA-C-O 121.285 0.564 . . . . 0.0 110.645 175.314 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 38.3 mt -62.73 -32.42 73.53 Favored 'General case' 0 N--CA 1.489 1.524 0 CA-C-N 114.609 -1.178 . . . . 0.0 111.842 -177.103 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.8 ttmm -54.89 -45.22 74.65 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 120.085 -0.646 . . . . 0.0 110.423 178.724 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -62.46 -29.89 74.74 Favored Glycine 0 N--CA 1.472 1.065 0 CA-C-N 115.752 -0.658 . . . . 0.0 112.296 -179.215 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -71.06 5.72 1.94 Allowed 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 122.579 0.352 . . . . 0.0 111.73 -178.448 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 70.59 12.19 69.79 Favored Glycine 0 N--CA 1.47 0.913 0 N-CA-C 111.248 -0.741 . . . . 0.0 111.248 176.662 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -66.75 161.93 22.52 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 -179.249 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 70.6 p -88.96 160.47 17.12 Favored 'General case' 0 CA--C 1.507 -0.675 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.068 -177.098 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 58.8 m-20 -58.02 -44.29 87.24 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.743 179.771 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.21 -47.32 85.78 Favored 'General case' 0 N--CA 1.471 0.606 0 O-C-N 123.691 0.619 . . . . 0.0 109.821 -179.417 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.407 ' O ' HD13 ' A' ' 39' ' ' ILE . 70.1 mm-40 -69.26 -44.81 71.16 Favored 'General case' 0 N--CA 1.472 0.638 0 O-C-N 121.485 -0.759 . . . . 0.0 110.782 -177.7 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 87.1 mt -58.67 -50.46 79.07 Favored 'Isoleucine or valine' 0 C--O 1.242 0.689 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.745 -177.784 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -63.57 -40.5 97.15 Favored 'General case' 0 C--N 1.345 0.397 0 CA-C-O 121.254 0.549 . . . . 0.0 111.429 -176.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.75 -45.25 87.24 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 115.151 -0.931 . . . . 0.0 111.746 -177.615 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.407 HD13 ' O ' ' A' ' 35' ' ' GLU . 1.4 mp -62.31 -46.34 96.65 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 C-N-CA 119.549 -0.86 . . . . 0.0 111.821 -174.883 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -67.59 -42.85 81.83 Favored 'General case' 0 C--O 1.206 -1.192 0 CA-C-O 121.798 0.809 . . . . 0.0 109.229 -179.076 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 16.4 m -58.26 -44.16 88.23 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 114.809 -1.087 . . . . 0.0 111.039 -176.153 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -66.21 -48.99 68.8 Favored 'General case' 0 N--CA 1.442 -0.847 0 C-N-CA 119.958 -0.697 . . . . 0.0 110.0 -178.414 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 17.6 m-85 -71.46 -31.28 66.98 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 120.201 -0.599 . . . . 0.0 110.136 -177.616 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.47 ' N ' ' OD1' ' A' ' 44' ' ' ASP . 0.4 OUTLIER -101.22 107.53 18.94 Favored 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 -179.344 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -63.41 -51.78 64.36 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-O 119.147 -0.454 . . . . 0.0 111.677 -176.199 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 36.0 t0 -107.39 -2.77 20.24 Favored 'General case' 0 N--CA 1.481 1.11 0 CA-C-N 118.696 0.68 . . . . 0.0 111.448 177.22 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 48.72 25.25 4.68 Favored Glycine 0 N--CA 1.484 1.87 0 C-N-CA 121.277 -0.487 . . . . 0.0 112.461 -178.062 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -117.75 -19.22 9.38 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 123.365 0.666 . . . . 0.0 111.854 -178.569 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -121.96 170.59 9.66 Favored 'General case' 0 N--CA 1.487 1.403 0 CA-C-O 121.373 0.606 . . . . 0.0 110.331 -177.756 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 -77.02 147.97 36.48 Favored 'General case' 0 C--O 1.234 0.284 0 C-N-CA 123.665 0.786 . . . . 0.0 110.312 179.744 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 18.5 mt -91.13 118.07 30.13 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 120.938 0.399 . . . . 0.0 110.962 -176.885 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.2 t -79.67 -178.27 6.28 Favored 'General case' 0 N--CA 1.44 -0.96 0 CA-C-N 115.114 -0.948 . . . . 0.0 108.846 -176.793 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 74.3 mt-10 -70.4 -57.03 5.26 Favored 'General case' 0 C--N 1.31 -1.148 0 CA-C-N 114.54 -1.209 . . . . 0.0 110.748 -177.868 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 56.4 t-80 -54.43 -50.9 66.54 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 119.957 -0.697 . . . . 0.0 110.231 -173.134 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 71.7 mm-40 -60.54 -51.24 70.25 Favored 'General case' 0 C--O 1.217 -0.638 0 CA-C-N 117.983 0.356 . . . . 0.0 110.361 179.003 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 32.6 t60 -60.09 -52.7 64.23 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 111.716 0.265 . . . . 0.0 111.716 -179.495 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -59.41 -37.0 76.9 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 117.766 0.257 . . . . 0.0 111.492 -179.002 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 50.8 tt0 -63.85 -54.38 35.81 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 -179.214 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 35.0 mmt -62.34 -35.65 79.77 Favored 'General case' 0 C--N 1.348 0.518 0 N-CA-C 109.619 -0.511 . . . . 0.0 109.619 179.782 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 59.2 ttp180 -59.61 -49.02 79.38 Favored 'General case' 0 C--N 1.347 0.489 0 C-N-CA 119.614 -0.835 . . . . 0.0 110.007 -178.37 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 75.8 m-20 -63.25 -36.43 83.62 Favored 'General case' 0 C--O 1.221 -0.445 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 -179.629 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -64.41 -44.03 92.52 Favored 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 -179.662 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 57.0 tp -61.28 -49.84 75.42 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.547 -179.36 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.4 tp10 -57.5 -45.74 84.57 Favored 'General case' 0 CA--C 1.545 0.768 0 CA-C-O 121.21 0.528 . . . . 0.0 109.911 -178.862 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 62.1 mmtt -57.12 -41.07 78.31 Favored 'General case' 0 N--CA 1.476 0.836 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.662 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 72.8 mt-10 -76.77 -34.31 58.02 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.034 178.584 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 63.6 ttt-85 -51.97 -39.35 59.2 Favored 'General case' 0 C--N 1.353 0.746 0 C-N-CA 122.53 0.332 . . . . 0.0 111.134 -179.181 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 . . . . . 0 N--CA 1.481 1.124 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.089 179.406 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 86.7 p . . . . . 0 N--CA 1.474 0.758 0 N-CA-C 111.622 0.23 . . . . 0.0 111.622 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 43.3 tp10 -61.82 -45.47 93.68 Favored 'General case' 0 N--CA 1.479 0.984 0 N-CA-C 110.086 -0.339 . . . . 0.0 110.086 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 42.5 t -65.4 -43.14 91.56 Favored 'General case' 0 N--CA 1.481 1.079 0 CA-C-O 120.972 0.415 . . . . 0.0 110.731 179.115 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.457 ' N ' HD12 ' A' ' 10' ' ' LEU . 8.0 mp -64.93 -30.14 71.11 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.509 -179.665 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 34.4 ttm180 -58.21 -26.01 62.3 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 110.102 -0.333 . . . . 0.0 110.102 -178.379 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -50.2 -79.16 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.097 178.626 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 55.3 17.92 12.82 Favored Glycine 0 N--CA 1.473 1.163 0 N-CA-C 110.839 -0.905 . . . . 0.0 110.839 179.443 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -58.58 -6.08 3.17 Favored Glycine 0 CA--C 1.526 0.776 0 N-CA-C 111.614 -0.594 . . . . 0.0 111.614 -179.699 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 107.61 -69.65 0.21 Allowed Glycine 0 C--N 1.35 1.332 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 178.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 41.9 mtmt -82.08 113.85 20.23 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.5 tp -153.39 139.35 18.17 Favored 'General case' 0 C--O 1.216 -0.708 0 N-CA-C 108.111 -1.07 . . . . 0.0 108.111 179.345 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -148.53 154.99 40.55 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.047 0.842 . . . . 0.0 108.737 -178.901 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 41.3 p90 -31.22 -35.11 0.01 OUTLIER 'General case' 0 C--O 1.178 -2.686 0 O-C-N 124.831 1.332 . . . . 0.0 112.629 -177.536 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -72.46 -44.6 62.1 Favored 'General case' 0 C--O 1.204 -1.293 0 CA-C-N 117.703 0.229 . . . . 0.0 111.507 -178.774 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 73.4 mm-40 -63.55 -48.33 77.92 Favored 'General case' 0 N--CA 1.479 1.023 0 CA-C-O 121.81 0.815 . . . . 0.0 112.309 -176.375 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.0 pp -76.57 -47.16 23.41 Favored 'General case' 0 N--CA 1.483 1.218 0 CA-C-N 114.846 -1.07 . . . . 0.0 112.632 179.554 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.4 ttt180 -61.4 -50.98 70.68 Favored 'General case' 0 N--CA 1.489 1.476 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.653 -175.299 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 15.0 pt20 -56.28 -36.45 68.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.41 -0.813 . . . . 0.0 112.032 -177.635 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -72.11 -49.49 35.79 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 123.767 0.827 . . . . 0.0 113.018 177.461 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 95.0 mt -61.04 -31.57 71.2 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 124.385 1.053 . . . . 0.0 111.198 -177.455 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.2 ttpp -55.84 -44.59 78.12 Favored 'General case' 0 CA--C 1.551 1.015 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 178.687 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -62.54 -31.76 80.88 Favored Glycine 0 CA--C 1.532 1.094 0 N-CA-C 111.741 -0.544 . . . . 0.0 111.741 -179.69 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 43.5 mmtm -71.95 2.29 5.85 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.405 0.682 . . . . 0.0 111.033 -178.561 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 71.57 19.48 77.85 Favored Glycine 0 N--CA 1.471 0.984 0 N-CA-C 111.597 -0.601 . . . . 0.0 111.597 178.213 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -68.39 162.07 26.18 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 117.487 0.643 . . . . 0.0 109.893 179.583 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 70.3 p -92.29 159.01 15.8 Favored 'General case' 0 CA--C 1.502 -0.894 0 CA-C-N 115.912 -0.585 . . . . 0.0 109.488 -176.369 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.52 ' O ' ' HG3' ' A' ' 37' ' ' GLU . 72.2 m-20 -60.88 -44.67 96.77 Favored 'General case' 0 C--O 1.211 -0.951 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 -179.85 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.95 -46.46 85.04 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 120.12 -0.632 . . . . 0.0 110.246 -179.048 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.412 ' O ' HD13 ' A' ' 39' ' ' ILE . 94.9 mt-10 -65.9 -48.89 69.97 Favored 'General case' 0 N--CA 1.48 1.059 0 CA-C-O 121.095 0.474 . . . . 0.0 110.497 -177.422 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 77.2 mt -56.44 -49.7 75.94 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.756 0 CA-C-N 115.221 -0.899 . . . . 0.0 108.882 -177.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.52 ' HG3' ' O ' ' A' ' 33' ' ' ASP . 92.0 mt-10 -61.47 -44.85 96.37 Favored 'General case' 0 CA--C 1.502 -0.871 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.692 -178.622 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.27 -45.67 92.51 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.462 -178.775 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.412 HD13 ' O ' ' A' ' 35' ' ' GLU . 1.5 mp -62.99 -46.94 95.02 Favored 'Isoleucine or valine' 0 N--CA 1.509 2.51 0 C-N-CA 119.623 -0.831 . . . . 0.0 111.96 -174.727 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -68.11 -46.11 71.82 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-O 121.604 0.716 . . . . 0.0 110.513 179.666 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 48.8 m -58.75 -45.12 90.43 Favored 'General case' 0 C--O 1.238 0.458 0 CA-C-N 114.855 -1.066 . . . . 0.0 111.402 -177.311 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 54.3 mtpt -69.32 -49.25 57.56 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.964 -179.62 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -71.11 -31.07 67.32 Favored 'General case' 0 N--CA 1.484 1.227 0 CA-C-O 119.602 -0.237 . . . . 0.0 110.44 -176.67 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.408 ' OD1' ' NE2' ' A' ' 49' ' ' GLN . 10.1 t0 -108.82 105.55 15.16 Favored 'General case' 0 N--CA 1.483 1.197 0 N-CA-C 107.783 -1.191 . . . . 0.0 107.783 179.548 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -59.12 -50.41 74.14 Favored 'General case' 0 C--O 1.24 0.579 0 N-CA-C 112.559 0.577 . . . . 0.0 112.559 -175.671 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 55.6 m-20 -105.06 -1.66 25.37 Favored 'General case' 0 N--CA 1.48 1.07 0 CA-C-N 118.831 0.741 . . . . 0.0 111.817 -179.555 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 54.67 21.39 21.73 Favored Glycine 0 N--CA 1.482 1.752 0 C-N-CA 121.245 -0.502 . . . . 0.0 112.272 179.719 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 62.9 m-20 -116.84 -16.14 10.62 Favored 'General case' 0 N--CA 1.495 1.807 0 C-N-CA 123.604 0.762 . . . . 0.0 112.773 -176.812 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.408 ' NE2' ' OD1' ' A' ' 44' ' ' ASP . 3.3 pm0 -122.64 173.56 7.64 Favored 'General case' 0 N--CA 1.488 1.43 0 CA-C-O 121.916 0.865 . . . . 0.0 110.961 -178.247 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 89.4 mt-10 -76.23 149.1 37.25 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 113.907 -1.497 . . . . 0.0 108.908 179.111 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.1 mp -89.16 120.19 30.33 Favored 'General case' 0 CA--C 1.54 0.596 0 CA-C-O 121.632 0.73 . . . . 0.0 109.374 -176.854 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 91.6 m -79.35 164.81 23.75 Favored 'General case' 0 CA--C 1.493 -1.238 0 CA-C-N 114.549 -1.205 . . . . 0.0 108.295 -176.887 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 74.9 mt-10 -65.79 -54.41 27.29 Favored 'General case' 0 C--N 1.305 -1.329 0 CA-C-N 113.479 -1.691 . . . . 0.0 110.492 -178.186 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 42.3 m80 -56.18 -50.76 70.29 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 120.205 -0.598 . . . . 0.0 110.41 -173.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -64.18 -49.39 72.23 Favored 'General case' 0 CA--C 1.537 0.464 0 N-CA-C 110.207 -0.294 . . . . 0.0 110.207 179.341 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 42.3 t-80 -59.1 -50.96 72.05 Favored 'General case' 0 CA--C 1.546 0.822 0 CA-C-N 116.554 -0.293 . . . . 0.0 111.115 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -61.88 -34.32 75.81 Favored 'General case' 0 CA--C 1.549 0.914 0 CA-C-N 118.107 0.412 . . . . 0.0 110.972 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 65.4 tp60 -63.69 -54.26 38.37 Favored 'General case' 0 N--CA 1.479 1.006 0 CA-C-O 121.196 0.522 . . . . 0.0 110.353 -178.441 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 35.1 mmt -61.34 -34.63 75.6 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-O 121.0 0.428 . . . . 0.0 109.99 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 69.1 ttp85 -58.85 -47.79 83.61 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 115.877 -0.602 . . . . 0.0 109.661 -178.722 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 75.0 m-20 -61.31 -38.4 86.72 Favored 'General case' 0 CA--C 1.538 0.508 0 N-CA-C 109.797 -0.445 . . . . 0.0 109.797 179.466 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 64.5 m-20 -66.58 -40.09 88.76 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.444 179.148 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 44.6 tp -61.01 -49.24 78.23 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 116.803 -0.181 . . . . 0.0 110.738 -179.158 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 70.6 mm-40 -56.94 -43.55 81.64 Favored 'General case' 0 CA--C 1.551 0.986 0 N-CA-C 109.789 -0.449 . . . . 0.0 109.789 -179.328 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -62.77 -44.1 97.07 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 122.737 0.415 . . . . 0.0 111.223 178.114 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 65.7 mm-40 -66.41 -45.51 79.72 Favored 'General case' 0 N--CA 1.482 1.168 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 179.746 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 77.3 mtp180 -54.46 -42.54 70.75 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 122.233 0.213 . . . . 0.0 110.577 179.28 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 74.9 tt0 . . . . . 0 N--CA 1.478 0.937 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 179.578 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 84.4 p . . . . . 0 N--CA 1.472 0.633 0 N-CA-C 111.52 0.192 . . . . 0.0 111.52 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 77.3 tt0 -64.5 -45.94 85.1 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-O 120.641 0.258 . . . . 0.0 110.684 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 78.7 p -70.71 -45.97 63.97 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 110.117 -0.327 . . . . 0.0 110.117 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 19.7 mt -58.98 -29.66 67.37 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.151 -179.419 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.622 HH22 HH22 ' A' ' 60' ' ' ARG . 57.5 ttt85 -58.29 -41.11 83.69 Favored 'General case' 0 N--CA 1.47 0.531 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 -179.687 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 53.14 -124.32 2.28 Favored 'General case' 0 CA--C 1.559 1.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.055 179.626 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 75.88 15.74 81.13 Favored Glycine 0 C--N 1.345 1.082 0 N-CA-C 111.07 -0.812 . . . . 0.0 111.07 179.758 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -80.92 4.81 68.4 Favored Glycine 0 N--CA 1.471 1.018 0 N-CA-C 110.817 -0.913 . . . . 0.0 110.817 179.37 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 68.05 -73.4 0.28 Allowed Glycine 0 CA--C 1.53 1.018 0 N-CA-C 110.916 -0.874 . . . . 0.0 110.916 -179.515 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -84.91 113.33 21.32 Favored 'General case' 0 N--CA 1.485 1.278 0 N-CA-C 107.891 -1.152 . . . . 0.0 107.891 179.407 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.449 HD22 HD21 ' A' ' 22' ' ' LEU . 11.2 mt -151.88 139.2 19.39 Favored 'General case' 0 C--O 1.216 -0.679 0 O-C-N 123.892 0.745 . . . . 0.0 109.732 -179.453 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.404 ' O ' ' N ' ' A' ' 21' ' ' GLU . 2.3 p-10 -141.48 145.47 35.25 Favored 'General case' 0 C--N 1.316 -0.85 0 N-CA-C 107.041 -1.466 . . . . 0.0 107.041 178.769 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 32.1 p90 -32.6 -32.29 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 124.865 1.266 . . . . 0.0 113.888 -177.902 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -70.64 -45.77 64.56 Favored 'General case' 0 C--O 1.213 -0.853 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 -177.773 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.404 ' N ' ' O ' ' A' ' 18' ' ' ASN . 70.1 mm-40 -59.47 -39.91 85.2 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 115.196 -0.911 . . . . 0.0 110.12 179.756 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.449 HD21 HD22 ' A' ' 17' ' ' LEU . 66.5 mt -74.77 -47.99 27.98 Favored 'General case' 0 N--CA 1.48 1.035 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.591 178.411 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 33.2 ttm180 -62.28 -53.85 49.13 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.69 -0.687 . . . . 0.0 110.454 -178.244 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 50.2 mm-40 -60.22 -37.57 80.73 Favored 'General case' 0 CA--C 1.504 -0.803 0 CA-C-N 115.262 -0.881 . . . . 0.0 112.282 -176.691 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -72.3 -49.17 36.58 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-O 121.357 0.599 . . . . 0.0 110.208 175.679 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 45.0 mt -63.19 -32.22 73.56 Favored 'General case' 0 N--CA 1.492 1.643 0 CA-C-N 114.42 -1.263 . . . . 0.0 112.061 -176.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 32.8 ttmt -55.16 -45.67 75.73 Favored 'General case' 0 CA--C 1.558 1.252 0 C-N-CA 120.235 -0.586 . . . . 0.0 110.734 178.566 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -62.21 -29.41 72.89 Favored Glycine 0 CA--C 1.532 1.15 0 CA-C-N 115.861 -0.609 . . . . 0.0 112.872 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -70.9 7.32 1.19 Allowed 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 122.644 0.378 . . . . 0.0 111.772 -178.34 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 70.68 11.48 69.05 Favored Glycine 0 N--CA 1.47 0.907 0 N-CA-C 111.287 -0.725 . . . . 0.0 111.287 176.78 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -66.85 161.62 23.48 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 -179.76 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 68.4 p -89.94 159.72 16.78 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 115.663 -0.698 . . . . 0.0 109.933 -176.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 17.3 p-10 -57.8 -44.26 86.2 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 116.567 -0.288 . . . . 0.0 110.684 179.739 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.32 -46.69 87.89 Favored 'General case' 0 N--CA 1.475 0.776 0 O-C-N 123.559 0.537 . . . . 0.0 110.24 -179.638 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.459 ' O ' HD13 ' A' ' 39' ' ' ILE . 72.2 mm-40 -70.06 -46.82 64.16 Favored 'General case' 0 N--CA 1.47 0.565 0 O-C-N 121.59 -0.694 . . . . 0.0 110.421 -178.111 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 83.3 mt -56.56 -50.05 75.04 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.669 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.646 -177.023 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -62.73 -41.1 99.02 Favored 'General case' 0 C--N 1.346 0.425 0 CA-C-O 120.912 0.386 . . . . 0.0 111.411 -177.795 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.49 -45.37 83.87 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 115.403 -0.817 . . . . 0.0 112.115 -178.496 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.459 HD13 ' O ' ' A' ' 35' ' ' GLU . 1.5 mp -62.59 -46.68 95.79 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.882 0 C-N-CA 120.317 -0.553 . . . . 0.0 111.564 -175.118 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -67.44 -42.0 83.86 Favored 'General case' 0 C--O 1.214 -0.804 0 CA-C-O 121.784 0.802 . . . . 0.0 109.765 -179.199 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 11.4 m -58.59 -44.28 89.77 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-N 114.743 -1.117 . . . . 0.0 110.992 -176.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 62.0 tttp -65.89 -48.52 71.22 Favored 'General case' 0 N--CA 1.442 -0.873 0 C-N-CA 120.302 -0.559 . . . . 0.0 109.776 -179.268 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -71.74 -31.11 66.33 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 120.277 -0.569 . . . . 0.0 110.666 -177.405 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -105.66 106.99 17.75 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 -179.718 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.432 ' NE2' ' OE1' ' A' ' 55' ' ' GLU . 1.7 mp0 -63.57 -51.64 64.5 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-O 119.116 -0.468 . . . . 0.0 111.803 -176.736 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 64.9 m-20 -106.91 -2.52 21.2 Favored 'General case' 0 N--CA 1.484 1.246 0 CA-C-N 118.844 0.747 . . . . 0.0 111.379 178.023 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 48.89 24.45 4.33 Favored Glycine 0 N--CA 1.484 1.84 0 N-CA-C 112.137 -0.385 . . . . 0.0 112.137 -178.134 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -118.25 -20.46 8.56 Favored 'General case' 0 N--CA 1.489 1.517 0 C-N-CA 123.485 0.714 . . . . 0.0 112.378 -178.835 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -120.16 168.97 10.67 Favored 'General case' 0 N--CA 1.488 1.439 0 C-N-CA 123.314 0.646 . . . . 0.0 110.481 -177.293 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -76.63 147.82 37.32 Favored 'General case' 0 C--O 1.233 0.236 0 C-N-CA 124.117 0.967 . . . . 0.0 109.779 179.253 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 19.6 mt -91.12 118.36 30.36 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 121.352 0.596 . . . . 0.0 110.046 -176.617 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.7 t -80.36 -178.05 6.45 Favored 'General case' 0 CA--C 1.496 -1.122 0 CA-C-N 114.917 -1.038 . . . . 0.0 108.834 -177.389 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 88.5 mt-10 -69.22 -56.1 8.61 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 114.19 -1.368 . . . . 0.0 110.302 -178.131 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -54.01 -50.29 66.96 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 120.079 -0.648 . . . . 0.0 110.099 -174.018 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.432 ' OE1' ' NE2' ' A' ' 45' ' ' GLN . 70.8 mm-40 -59.02 -52.71 64.6 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 177.799 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 21.5 t-80 -58.47 -53.83 53.91 Favored 'General case' 0 CA--C 1.55 0.967 0 N-CA-C 111.905 0.335 . . . . 0.0 111.905 179.771 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -58.73 -34.52 71.44 Favored 'General case' 0 N--CA 1.473 0.709 0 O-C-N 122.457 -0.152 . . . . 0.0 111.12 -178.702 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -66.87 -54.5 21.69 Favored 'General case' 0 CA--C 1.544 0.728 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 33.5 mmt -61.82 -36.05 80.0 Favored 'General case' 0 C--N 1.352 0.712 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 -179.477 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.622 HH22 HH22 ' A' ' 11' ' ' ARG . 76.6 ttt180 -59.69 -49.35 78.07 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 119.452 -0.899 . . . . 0.0 109.641 -179.531 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -60.07 -36.87 78.3 Favored 'General case' 0 N--CA 1.477 0.88 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 -179.079 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -66.09 -36.79 84.14 Favored 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 178.867 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.4 tp -62.57 -49.95 73.25 Favored 'General case' 0 C--N 1.343 0.319 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.276 -179.589 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 72.0 mt-10 -57.39 -43.43 83.66 Favored 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 109.735 -0.468 . . . . 0.0 109.735 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 57.2 mttp -57.84 -39.04 76.75 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 122.329 0.252 . . . . 0.0 111.118 179.417 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -48.95 -32.52 9.23 Favored 'General case' 0 N--CA 1.486 1.332 0 CA-C-O 121.746 0.784 . . . . 0.0 110.354 -179.114 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -56.59 -47.3 79.86 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 114.127 -1.397 . . . . 0.0 110.034 -178.22 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 78.7 tt0 . . . . . 0 N--CA 1.47 0.574 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 179.72 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 41.3 t . . . . . 0 N--CA 1.473 0.696 0 CA-C-O 120.566 0.222 . . . . 0.0 111.382 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 74.4 mt-10 -68.11 -38.26 82.08 Favored 'General case' 0 CA--C 1.547 0.829 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.339 178.782 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 87.3 p -63.36 -51.35 66.27 Favored 'General case' 0 N--CA 1.483 1.195 0 CA-C-O 120.522 0.201 . . . . 0.0 111.419 -179.263 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 10.1 mp -62.26 -41.47 98.48 Favored 'General case' 0 N--CA 1.483 1.191 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 179.696 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.458 ' O ' ' N ' ' A' ' 13' ' ' GLY . 40.2 ttm180 -59.84 -52.49 65.21 Favored 'General case' 0 N--CA 1.477 0.876 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 179.829 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.431 ' HG2' HD13 ' A' ' 17' ' ' LEU . 60.8 tp60 54.51 -81.6 0.01 OUTLIER 'General case' 0 CA--C 1.554 1.126 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.967 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 11' ' ' ARG . . . 67.23 16.52 67.01 Favored Glycine 0 N--CA 1.474 1.195 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 178.833 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -85.47 -8.37 80.89 Favored Glycine 0 N--CA 1.473 1.14 0 N-CA-C 111.08 -0.808 . . . . 0.0 111.08 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 82.03 -67.53 3.66 Favored Glycine 0 N--CA 1.479 1.51 0 N-CA-C 111.161 -0.776 . . . . 0.0 111.161 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 57.3 mtpt -72.63 108.42 5.64 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 179.049 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.446 HD11 ' HB3' ' A' ' 22' ' ' LEU . 23.7 tp -148.93 130.69 15.07 Favored 'General case' 0 CA--C 1.532 0.257 0 N-CA-C 108.223 -1.028 . . . . 0.0 108.223 -179.805 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.464 ' ND2' ' CE1' ' A' ' 19' ' ' PHE . 6.5 p-10 -152.56 163.12 40.22 Favored 'General case' 0 N--CA 1.465 0.317 0 N-CA-C 107.742 -1.207 . . . . 0.0 107.742 179.288 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.464 ' CE1' ' ND2' ' A' ' 18' ' ' ASN . 28.6 p90 -32.14 -44.42 0.09 Allowed 'General case' 0 C--O 1.191 -2.019 0 O-C-N 124.544 1.153 . . . . 0.0 112.658 -178.634 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -72.68 -45.25 59.79 Favored 'General case' 0 N--CA 1.479 1.014 0 CA-C-N 118.302 0.501 . . . . 0.0 111.659 -178.537 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -63.15 -47.06 84.29 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-N 116.025 -0.534 . . . . 0.0 112.166 -176.096 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.446 ' HB3' HD11 ' A' ' 17' ' ' LEU . 1.7 pp -76.67 -46.84 24.11 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 112.834 0.679 . . . . 0.0 112.834 179.514 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.2 ttt180 -62.75 -53.03 60.63 Favored 'General case' 0 N--CA 1.487 1.403 0 CA-C-O 120.929 0.395 . . . . 0.0 111.746 -174.84 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 -58.16 -34.33 70.18 Favored 'General case' 0 CA--C 1.512 -0.496 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.955 -178.879 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -71.25 -47.89 54.36 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.341 0.591 . . . . 0.0 110.366 177.132 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 24.4 mt -62.12 -31.39 71.85 Favored 'General case' 0 N--CA 1.496 1.831 0 CA-C-N 114.38 -1.282 . . . . 0.0 111.821 -176.443 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 32.6 ttmt -55.45 -44.3 76.23 Favored 'General case' 0 CA--C 1.553 1.068 0 CA-C-O 121.355 0.597 . . . . 0.0 109.557 178.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -61.98 -35.62 91.67 Favored Glycine 0 CA--C 1.538 1.469 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.884 179.014 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -70.37 -0.28 7.89 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 123.02 0.528 . . . . 0.0 111.022 -178.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 71.68 19.53 78.01 Favored Glycine 0 N--CA 1.474 1.176 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.74 178.134 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -66.64 162.75 20.4 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-N 117.553 0.677 . . . . 0.0 109.771 178.827 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 54.1 p -96.18 160.31 14.5 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-N 115.593 -0.73 . . . . 0.0 109.505 -177.01 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -59.97 -40.57 89.55 Favored 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 110.383 -0.229 . . . . 0.0 110.383 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.09 -47.22 86.05 Favored 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.459 ' O ' HD13 ' A' ' 39' ' ' ILE . 72.5 mt-10 -68.36 -46.03 71.19 Favored 'General case' 0 N--CA 1.472 0.668 0 O-C-N 121.72 -0.613 . . . . 0.0 110.542 -177.833 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 85.5 mt -59.76 -50.59 79.48 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.799 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.682 -177.234 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -63.04 -42.55 99.76 Favored 'General case' 0 C--N 1.351 0.65 0 CA-C-O 121.93 0.871 . . . . 0.0 111.741 -177.349 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.1 -44.98 82.8 Favored 'General case' 0 CA--C 1.552 1.027 0 CA-C-N 115.289 -0.869 . . . . 0.0 111.307 -179.448 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.459 HD13 ' O ' ' A' ' 35' ' ' GLU . 1.2 mp -61.52 -46.88 95.65 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.551 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.521 -173.46 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -67.92 -41.58 82.4 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-O 121.655 0.74 . . . . 0.0 111.264 -179.541 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 15.4 m -59.35 -45.81 90.37 Favored 'General case' 0 C--O 1.238 0.486 0 CA-C-N 114.231 -1.35 . . . . 0.0 111.279 -175.384 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 60.3 mttp -68.66 -49.66 57.31 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.053 -179.13 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 -74.84 -32.47 61.94 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 120.075 -0.65 . . . . 0.0 111.796 -177.21 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -103.06 109.66 21.3 Favored 'General case' 0 N--CA 1.484 1.251 0 N-CA-C 107.099 -1.445 . . . . 0.0 107.099 177.61 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -62.54 -51.04 68.98 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-O 119.121 -0.466 . . . . 0.0 111.504 -175.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 27.0 t0 -106.43 -2.05 22.52 Favored 'General case' 0 N--CA 1.484 1.237 0 CA-C-N 118.564 0.62 . . . . 0.0 111.193 178.4 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 53.25 22.34 14.33 Favored Glycine 0 N--CA 1.477 1.368 0 C-N-CA 121.296 -0.478 . . . . 0.0 112.58 -179.148 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -118.06 -8.95 10.63 Favored 'General case' 0 N--CA 1.492 1.644 0 C-N-CA 123.705 0.802 . . . . 0.0 111.508 -178.689 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -124.76 163.14 22.76 Favored 'General case' 0 N--CA 1.483 1.192 0 CA-C-O 121.553 0.692 . . . . 0.0 110.242 -177.028 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -75.73 147.78 39.07 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 114.486 -1.234 . . . . 0.0 108.44 179.601 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.4 tp -90.77 119.8 31.28 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-O 121.732 0.777 . . . . 0.0 109.701 -177.507 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.2 t -80.71 -179.64 7.35 Favored 'General case' 0 CA--C 1.494 -1.191 0 CA-C-N 114.349 -1.296 . . . . 0.0 109.805 -177.409 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -70.01 -52.78 21.42 Favored 'General case' 0 N--CA 1.435 -1.216 0 CA-C-N 113.43 -1.713 . . . . 0.0 110.724 -177.429 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 93.0 m-70 -54.15 -50.62 66.54 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 120.398 -0.521 . . . . 0.0 110.452 -174.142 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 77.3 mt-10 -61.96 -40.44 95.58 Favored 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 177.864 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.414 ' CE1' ' O ' ' A' ' 11' ' ' ARG . 17.5 t60 -63.73 -48.78 75.69 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.297 179.578 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 10.2 mm-40 -53.17 -42.58 66.33 Favored 'General case' 0 N--CA 1.489 1.491 0 CA-C-N 118.004 0.365 . . . . 0.0 111.782 -178.667 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -62.97 -49.67 73.78 Favored 'General case' 0 N--CA 1.48 1.031 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 178.797 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.4 ' SD ' ' N ' ' A' ' 60' ' ' ARG . 0.7 OUTLIER -59.28 -42.94 92.43 Favored 'General case' 0 C--N 1.347 0.479 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 179.144 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.4 ' N ' ' SD ' ' A' ' 59' ' ' MET . 67.8 ttp85 -59.49 -48.4 81.81 Favored 'General case' 0 C--N 1.353 0.719 0 C-N-CA 120.44 -0.504 . . . . 0.0 110.01 -177.831 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 74.8 m-20 -61.05 -36.57 79.93 Favored 'General case' 0 CA--C 1.536 0.436 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 179.167 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 58.2 m-20 -68.97 -37.88 79.03 Favored 'General case' 0 C--N 1.345 0.401 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 179.759 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 50.5 tp -61.05 -50.39 73.51 Favored 'General case' 0 C--N 1.35 0.6 0 C-N-CA 121.05 -0.26 . . . . 0.0 110.366 -179.283 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 76.2 tt0 -57.31 -44.22 83.95 Favored 'General case' 0 CA--C 1.552 1.02 0 CA-C-O 120.947 0.404 . . . . 0.0 110.193 -179.616 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 28.4 mmtp -62.21 -45.41 93.49 Favored 'General case' 0 CA--C 1.551 0.981 0 CA-C-N 115.965 -0.562 . . . . 0.0 111.307 179.32 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 92.3 mt-10 -64.92 -43.41 92.9 Favored 'General case' 0 N--CA 1.479 0.984 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 178.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 57.1 mtp85 -53.78 -44.6 70.21 Favored 'General case' 0 N--CA 1.481 1.117 0 N-CA-C 110.657 -0.127 . . . . 0.0 110.657 179.413 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 78.0 tt0 . . . . . 0 N--CA 1.479 0.975 0 N-CA-C 109.859 -0.422 . . . . 0.0 109.859 179.4 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 53.3 m . . . . . 0 CA--C 1.541 0.631 0 CA-C-O 120.42 0.152 . . . . 0.0 111.104 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 74.4 mt-10 -73.96 -42.46 60.48 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 122.233 0.213 . . . . 0.0 110.713 178.353 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 95.7 p -61.3 -47.97 83.52 Favored 'General case' 0 N--CA 1.482 1.147 0 CA-C-O 120.67 0.272 . . . . 0.0 110.809 -179.234 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 59.8 mt -61.75 -43.89 97.96 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.31 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.475 ' O ' ' N ' ' A' ' 13' ' ' GLY . 78.5 mtp180 -66.39 -53.69 32.96 Favored 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 110.202 -0.296 . . . . 0.0 110.202 179.62 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 67.4 tp60 56.79 -74.56 0.02 OUTLIER 'General case' 0 CA--C 1.546 0.823 0 O-C-N 124.087 0.867 . . . . 0.0 110.73 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 11' ' ' ARG . . . 79.3 16.62 77.94 Favored Glycine 0 C--N 1.341 0.861 0 N-CA-C 110.701 -0.96 . . . . 0.0 110.701 179.505 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -77.32 -19.3 76.9 Favored Glycine 0 N--CA 1.471 1.001 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 179.766 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 96.23 -30.49 8.57 Favored Glycine 0 N--CA 1.483 1.817 0 N-CA-C 111.289 -0.725 . . . . 0.0 111.289 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 45.5 mtmt -120.08 127.77 52.86 Favored 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 123.314 0.646 . . . . 0.0 109.589 179.324 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.5 mt -138.49 110.83 7.42 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 -178.183 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -129.66 139.14 51.46 Favored 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 107.634 -1.247 . . . . 0.0 107.634 179.374 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 40.3 p90 -31.17 -33.88 0.01 OUTLIER 'General case' 0 C--O 1.197 -1.68 0 O-C-N 124.651 1.22 . . . . 0.0 113.018 -178.381 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -74.11 -45.87 46.32 Favored 'General case' 0 N--CA 1.478 0.926 0 CA-C-O 121.349 0.595 . . . . 0.0 112.509 -178.622 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.71 -45.9 92.44 Favored 'General case' 0 N--CA 1.484 1.228 0 CA-C-O 121.871 0.844 . . . . 0.0 111.523 -175.031 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.487 HD12 ' N ' ' A' ' 23' ' ' ARG . 2.7 pp -75.92 -47.23 26.09 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 113.681 -1.599 . . . . 0.0 111.75 -179.711 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.487 ' N ' HD12 ' A' ' 22' ' ' LEU . 5.1 ttt180 -59.39 -51.01 71.74 Favored 'General case' 0 N--CA 1.477 0.904 0 CA-C-O 120.959 0.409 . . . . 0.0 110.97 -177.618 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -58.37 -34.68 70.96 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.878 -179.713 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -70.96 -47.93 56.21 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-O 120.951 0.405 . . . . 0.0 110.367 177.188 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 41.4 mt -61.93 -31.45 71.77 Favored 'General case' 0 N--CA 1.501 2.121 0 CA-C-N 114.602 -1.181 . . . . 0.0 112.028 -176.622 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 34.4 ttpt -55.87 -44.89 78.51 Favored 'General case' 0 CA--C 1.554 1.123 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 178.561 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -61.81 -34.36 88.46 Favored Glycine 0 CA--C 1.535 1.331 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.914 179.239 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -70.6 2.31 4.2 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 122.918 0.487 . . . . 0.0 111.3 -179.114 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 71.46 19.86 77.96 Favored Glycine 0 N--CA 1.475 1.26 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 177.658 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -67.58 162.99 22.23 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 117.637 0.719 . . . . 0.0 110.216 179.202 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 72.3 p -94.04 159.5 15.13 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 115.282 -0.872 . . . . 0.0 109.639 -177.156 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 -60.57 -41.57 94.89 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.275 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.58 -46.87 87.67 Favored 'General case' 0 N--CA 1.476 0.862 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 -179.643 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.437 ' O ' HD13 ' A' ' 39' ' ' ILE . 72.2 mm-40 -68.26 -48.02 66.15 Favored 'General case' 0 N--CA 1.474 0.744 0 O-C-N 121.55 -0.719 . . . . 0.0 110.448 -178.166 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 82.7 mt -56.85 -50.44 75.22 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.867 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.737 -177.154 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -62.77 -42.07 99.52 Favored 'General case' 0 C--N 1.352 0.677 0 CA-C-O 121.55 0.691 . . . . 0.0 111.044 -177.547 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.4 -45.74 89.63 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 115.432 -0.804 . . . . 0.0 111.786 -178.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.437 HD13 ' O ' ' A' ' 35' ' ' GLU . 1.4 mp -61.69 -46.83 95.7 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.881 0 N-CA-C 112.016 0.376 . . . . 0.0 112.016 -175.195 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.406 ' CB ' HD11 ' A' ' 22' ' ' LEU . 0.6 OUTLIER -67.66 -41.05 84.37 Favored 'General case' 0 C--O 1.21 -1.003 0 CA-C-O 121.881 0.848 . . . . 0.0 109.773 -179.685 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 32.2 m -59.46 -46.45 88.74 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 114.93 -1.032 . . . . 0.0 111.287 -177.139 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -70.0 -48.38 58.38 Favored 'General case' 0 N--CA 1.44 -0.974 0 C-N-CA 120.526 -0.469 . . . . 0.0 109.979 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.467 ' OH ' HD23 ' A' ' 63' ' ' LEU . 13.0 m-85 -70.77 -30.17 66.59 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 120.527 -0.469 . . . . 0.0 110.915 -176.105 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -114.98 108.33 16.56 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 108.134 -1.062 . . . . 0.0 108.134 179.539 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 18.4 mm-40 -60.62 -50.85 71.85 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-O 118.932 -0.556 . . . . 0.0 111.943 -177.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 38.3 t0 -106.31 -2.15 22.61 Favored 'General case' 0 C--N 1.365 1.267 0 CA-C-N 118.835 0.743 . . . . 0.0 111.09 178.672 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 51.52 22.01 7.35 Favored Glycine 0 N--CA 1.48 1.592 0 CA-C-O 119.753 -0.471 . . . . 0.0 112.49 -179.177 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 48.3 m-20 -117.59 -13.44 10.26 Favored 'General case' 0 N--CA 1.491 1.62 0 C-N-CA 123.506 0.723 . . . . 0.0 111.763 -178.427 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.1 pp0? -123.82 158.63 31.36 Favored 'General case' 0 N--CA 1.493 1.705 0 C-N-CA 123.291 0.636 . . . . 0.0 110.956 -178.002 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -76.19 148.36 37.78 Favored 'General case' 0 C--N 1.349 0.564 0 C-N-CA 124.483 1.113 . . . . 0.0 109.567 179.056 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 19.4 mt -91.07 117.69 29.8 Favored 'General case' 0 N--CA 1.481 1.12 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.725 -177.076 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 4.7 t -80.22 -177.85 6.3 Favored 'General case' 0 CA--C 1.489 -1.377 0 N-CA-C 108.466 -0.939 . . . . 0.0 108.466 -177.103 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 72.4 mt-10 -61.52 -60.31 3.89 Favored 'General case' 0 C--N 1.311 -1.088 0 CA-C-N 114.804 -1.089 . . . . 0.0 110.894 -178.209 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 81.8 t60 -54.59 -50.81 67.12 Favored 'General case' 0 N--CA 1.485 1.303 0 C-N-CA 120.15 -0.62 . . . . 0.0 109.937 -174.684 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -59.95 -50.42 73.83 Favored 'General case' 0 C--O 1.215 -0.713 0 CA-C-N 118.327 0.512 . . . . 0.0 109.896 178.585 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 54.2 t-80 -59.59 -52.14 66.81 Favored 'General case' 0 CA--C 1.549 0.909 0 N-CA-C 112.044 0.387 . . . . 0.0 112.044 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 4.9 mp0 -62.82 -34.27 76.96 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 118.007 0.367 . . . . 0.0 111.161 -179.277 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 56.5 mm-40 -63.38 -54.58 34.63 Favored 'General case' 0 N--CA 1.482 1.154 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 179.682 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 34.0 mmt -61.86 -36.95 82.76 Favored 'General case' 0 C--N 1.353 0.748 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 57.1 ttp180 -60.43 -49.42 77.63 Favored 'General case' 0 CA--C 1.552 1.043 0 C-N-CA 118.972 -1.091 . . . . 0.0 110.17 -179.316 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -60.74 -40.59 92.97 Favored 'General case' 0 N--CA 1.475 0.825 0 CA-C-O 121.289 0.566 . . . . 0.0 110.422 -179.122 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 65.2 m-20 -61.03 -40.06 92.16 Favored 'General case' 0 C--O 1.218 -0.579 0 CA-C-N 115.058 -0.974 . . . . 0.0 108.711 178.36 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.467 HD23 ' OH ' ' A' ' 43' ' ' TYR . 0.2 OUTLIER -61.61 -49.29 77.19 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.916 -178.728 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 78.9 tt0 -57.0 -45.42 83.01 Favored 'General case' 0 CA--C 1.551 0.997 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -57.65 -45.16 85.84 Favored 'General case' 0 N--CA 1.48 1.043 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.793 179.302 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -71.66 -35.0 70.2 Favored 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 178.554 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 33.7 ttm180 -53.17 -43.17 66.87 Favored 'General case' 0 C--N 1.357 0.932 0 C-N-CA 122.614 0.365 . . . . 0.0 111.04 -178.794 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 . . . . . 0 N--CA 1.481 1.1 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 179.743 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 58.8 m . . . . . 0 N--CA 1.471 0.613 0 CA-C-O 120.419 0.152 . . . . 0.0 110.669 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 78.2 tt0 -68.36 -40.97 81.32 Favored 'General case' 0 N--CA 1.471 0.602 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 179.372 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 62.5 m -61.67 -43.01 99.66 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.999 -179.583 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.42 ' N ' HD12 ' A' ' 10' ' ' LEU . 9.0 mp -62.84 -43.54 98.52 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 116.167 -0.47 . . . . 0.0 109.992 -179.163 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.498 ' O ' ' N ' ' A' ' 13' ' ' GLY . 37.7 ttm180 -71.32 -54.77 9.68 Favored 'General case' 0 C--N 1.349 0.565 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 -178.929 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 54.59 -76.95 0.01 OUTLIER 'General case' 0 CA--C 1.551 0.986 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.873 -179.496 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.498 ' N ' ' O ' ' A' ' 11' ' ' ARG . . . 78.5 16.61 79.12 Favored Glycine 0 C--N 1.342 0.865 0 N-CA-C 110.644 -0.982 . . . . 0.0 110.644 179.657 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -79.27 -7.7 88.29 Favored Glycine 0 N--CA 1.469 0.866 0 N-CA-C 111.125 -0.79 . . . . 0.0 111.125 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 82.03 -70.42 3.14 Favored Glycine 0 N--CA 1.475 1.282 0 N-CA-C 110.694 -0.962 . . . . 0.0 110.694 -179.666 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 41.6 mtmt -73.58 110.94 8.26 Favored 'General case' 0 N--CA 1.465 0.281 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 179.528 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.8 tp -147.39 129.4 15.43 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 -178.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.426 ' O ' ' N ' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -139.13 151.07 46.36 Favored 'General case' 0 N--CA 1.476 0.855 0 N-CA-C 107.882 -1.155 . . . . 0.0 107.882 -179.834 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 38.4 p90 -31.09 -35.18 0.01 OUTLIER 'General case' 0 N--CA 1.479 1.005 0 O-C-N 124.452 1.095 . . . . 0.0 112.07 -179.089 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -73.98 -45.51 49.59 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 112.41 0.522 . . . . 0.0 112.41 179.331 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.426 ' N ' ' O ' ' A' ' 18' ' ' ASN . 38.4 mt-10 -60.43 -45.05 95.05 Favored 'General case' 0 N--CA 1.481 1.12 0 CA-C-O 121.241 0.543 . . . . 0.0 112.35 -176.358 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.4 HD12 ' N ' ' A' ' 23' ' ' ARG . 1.6 pp -75.31 -47.14 29.17 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.324 -0.853 . . . . 0.0 111.165 178.617 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.4 ' N ' HD12 ' A' ' 22' ' ' LEU . 51.6 ttp180 -59.22 -51.72 68.79 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-O 120.992 0.425 . . . . 0.0 112.001 -176.729 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 54.1 mm-40 -56.71 -35.82 68.95 Favored 'General case' 0 C--N 1.313 -0.989 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.311 -177.236 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -71.69 -48.34 48.06 Favored 'General case' 0 N--CA 1.445 -0.7 0 CA-C-O 121.485 0.66 . . . . 0.0 110.408 175.208 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 23.3 mt -64.15 -33.17 75.18 Favored 'General case' 0 N--CA 1.492 1.639 0 CA-C-N 114.748 -1.114 . . . . 0.0 111.67 -176.269 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.4 ttmm -54.66 -45.93 73.94 Favored 'General case' 0 CA--C 1.551 0.997 0 CA-C-O 121.63 0.729 . . . . 0.0 109.549 178.468 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -61.11 -35.78 91.34 Favored Glycine 0 CA--C 1.535 1.303 0 CA-C-N 115.109 -0.95 . . . . 0.0 111.489 178.705 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -70.0 -1.17 8.97 Favored 'General case' 0 N--CA 1.482 1.174 0 CA-C-O 121.041 0.448 . . . . 0.0 111.071 -179.37 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 72.17 19.58 78.65 Favored Glycine 0 N--CA 1.464 0.524 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.706 177.56 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -66.33 162.84 19.38 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 117.826 0.813 . . . . 0.0 109.407 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 46.1 p -94.58 161.09 14.35 Favored 'General case' 0 CA--C 1.506 -0.723 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.642 -176.425 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 14.8 p-10 -60.56 -40.37 91.4 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.261 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.76 -47.39 85.89 Favored 'General case' 0 C--N 1.352 0.694 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.479 ' O ' HD13 ' A' ' 39' ' ' ILE . 95.5 mt-10 -68.64 -44.58 73.88 Favored 'General case' 0 N--CA 1.471 0.611 0 O-C-N 121.525 -0.734 . . . . 0.0 110.488 -177.449 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 83.3 mt -60.88 -50.64 79.72 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.632 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.818 -177.692 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -61.59 -41.54 97.58 Favored 'General case' 0 C--N 1.354 0.767 0 CA-C-O 121.737 0.78 . . . . 0.0 111.306 -176.131 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.56 -44.97 80.87 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.02 -0.991 . . . . 0.0 110.987 -179.355 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.479 HD13 ' O ' ' A' ' 35' ' ' GLU . 1.2 mp -61.59 -47.96 90.96 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.085 0 C-N-CA 120.561 -0.456 . . . . 0.0 111.841 -173.87 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -67.56 -42.78 82.07 Favored 'General case' 0 CA--C 1.506 -0.73 0 CA-C-O 121.702 0.763 . . . . 0.0 110.51 -178.614 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 14.6 m -58.37 -45.32 88.49 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 113.792 -1.549 . . . . 0.0 111.287 -176.073 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 60.5 tttp -68.2 -49.74 58.79 Favored 'General case' 0 N--CA 1.441 -0.894 0 C-N-CA 120.037 -0.665 . . . . 0.0 110.766 -177.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.42 ' O ' HD13 ' A' ' 51' ' ' LEU . 9.7 m-85 -74.63 -32.42 62.3 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 120.112 -0.635 . . . . 0.0 111.509 -177.018 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -103.89 110.03 22.01 Favored 'General case' 0 N--CA 1.479 1.002 0 N-CA-C 106.749 -1.574 . . . . 0.0 106.749 178.817 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 15.6 mm-40 -63.83 -50.54 68.48 Favored 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 112.302 0.482 . . . . 0.0 112.302 -176.009 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 63.6 m-20 -106.19 -2.07 22.9 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-N 118.791 0.723 . . . . 0.0 110.918 178.837 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 50.64 21.75 5.05 Favored Glycine 0 N--CA 1.476 1.344 0 C-N-CA 121.711 -0.28 . . . . 0.0 112.921 -178.212 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -117.62 -8.7 10.89 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 123.475 0.71 . . . . 0.0 111.828 -179.05 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -127.25 165.26 19.98 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 123.156 0.582 . . . . 0.0 110.177 -177.811 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 86.7 mt-10 -75.65 147.82 39.2 Favored 'General case' 0 N--CA 1.448 -0.553 0 C-N-CA 123.99 0.916 . . . . 0.0 108.877 179.483 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.42 HD13 ' O ' ' A' ' 43' ' ' TYR . 42.6 tp -90.64 121.8 32.87 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-O 121.394 0.616 . . . . 0.0 109.937 -177.788 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.3 t -80.3 178.67 8.13 Favored 'General case' 0 CA--C 1.49 -1.337 0 CA-C-N 114.84 -1.073 . . . . 0.0 109.032 -177.861 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.508 ' O ' ' NE2' ' A' ' 57' ' ' GLN . 14.9 pt-20 -76.72 -49.77 15.22 Favored 'General case' 0 N--CA 1.431 -1.377 0 CA-C-N 113.079 -1.873 . . . . 0.0 110.532 -177.301 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 85.8 t60 -53.93 -50.9 65.41 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 119.884 -0.727 . . . . 0.0 109.866 -174.58 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 91.4 mt-10 -61.38 -46.44 90.16 Favored 'General case' 0 C--O 1.219 -0.533 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 177.576 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 23.9 t-80 -56.76 -50.13 73.19 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 121.014 -0.274 . . . . 0.0 111.251 -179.639 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.508 ' NE2' ' O ' ' A' ' 53' ' ' GLU . 1.2 mp0 -53.12 -41.09 64.7 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 120.7 -0.4 . . . . 0.0 111.223 -179.375 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 83.3 mt-30 -63.57 -53.74 46.96 Favored 'General case' 0 N--CA 1.48 1.028 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 179.644 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 36.4 mmt -60.16 -36.73 78.21 Favored 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 122.822 0.449 . . . . 0.0 110.222 179.559 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 69.2 ttp85 -59.66 -48.83 80.13 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 120.046 -0.662 . . . . 0.0 109.695 -178.41 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 74.7 m-20 -60.58 -36.62 78.98 Favored 'General case' 0 C--N 1.346 0.456 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 59.7 m-20 -67.69 -37.59 82.5 Favored 'General case' 0 C--N 1.342 0.26 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 179.186 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.5 tt -59.99 -50.11 75.02 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.674 -179.074 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 71.4 mt-10 -57.22 -44.1 83.44 Favored 'General case' 0 CA--C 1.55 0.971 0 N-CA-C 110.098 -0.334 . . . . 0.0 110.098 178.796 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -62.35 -46.26 89.46 Favored 'General case' 0 N--CA 1.478 0.972 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.854 179.386 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 69.6 mt-10 -65.69 -37.41 86.37 Favored 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 110.102 -0.333 . . . . 0.0 110.102 179.291 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 32.0 ttm180 -49.5 -26.28 3.29 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-O 120.753 0.311 . . . . 0.0 111.328 -179.419 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 70.0 mm-40 . . . . . 0 N--CA 1.47 0.53 0 N-CA-C 109.457 -0.572 . . . . 0.0 109.457 179.963 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 69.3 m . . . . . 0 N--CA 1.472 0.665 0 N-CA-C 111.541 0.2 . . . . 0.0 111.541 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 76.9 tt0 -71.32 -43.62 66.7 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 110.195 -0.298 . . . . 0.0 110.195 178.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 95.1 p -63.79 -47.44 80.91 Favored 'General case' 0 N--CA 1.48 1.046 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.059 -179.08 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 29.1 mt -61.58 -42.94 99.58 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.799 -179.435 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.486 ' O ' ' N ' ' A' ' 13' ' ' GLY . 70.7 ttt-85 -63.81 -53.86 44.17 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 115.894 -0.593 . . . . 0.0 109.827 -179.768 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.547 HE22 HD21 ' A' ' 17' ' ' LEU . 48.2 tt0 58.42 -71.73 0.02 OUTLIER 'General case' 0 CA--C 1.546 0.807 0 O-C-N 124.386 1.054 . . . . 0.0 110.57 -179.675 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.486 ' N ' ' O ' ' A' ' 11' ' ' ARG . . . 101.37 -7.3 56.24 Favored Glycine 0 N--CA 1.476 1.32 0 N-CA-C 110.765 -0.934 . . . . 0.0 110.765 179.479 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.9 -50.65 57.11 Favored Glycine 0 CA--C 1.53 0.969 0 N-CA-C 110.654 -0.978 . . . . 0.0 110.654 179.15 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 107.8 -71.55 0.21 Allowed Glycine 0 N--CA 1.483 1.81 0 N-CA-C 110.418 -1.073 . . . . 0.0 110.418 -179.435 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.8 mtpm? -65.78 126.78 29.54 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 179.743 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.547 HD21 HE22 ' A' ' 12' ' ' GLN . 7.4 mt -154.1 133.72 12.87 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 -179.176 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.482 HD22 ' HE1' ' A' ' 19' ' ' PHE . 23.0 t-20 -123.27 139.88 53.59 Favored 'General case' 0 C--N 1.332 -0.176 0 N-CA-C 107.299 -1.371 . . . . 0.0 107.299 178.426 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.482 ' HE1' HD22 ' A' ' 18' ' ' ASN . 54.4 p90 -31.01 -37.82 0.02 OUTLIER 'General case' 0 C--O 1.205 -1.289 0 C-N-CA 123.942 0.897 . . . . 0.0 112.566 -177.449 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -72.59 -45.2 60.27 Favored 'General case' 0 N--CA 1.479 1.017 0 CA-C-O 121.143 0.497 . . . . 0.0 112.033 179.193 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.41 ' N ' ' O ' ' A' ' 18' ' ' ASN . 63.7 mm-40 -60.09 -47.85 84.16 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 112.702 0.63 . . . . 0.0 112.702 -177.439 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.518 ' HB3' HD22 ' A' ' 17' ' ' LEU . 1.8 pp -75.58 -47.01 28.55 Favored 'General case' 0 C--N 1.313 -0.989 0 CA-C-N 115.686 -0.688 . . . . 0.0 112.153 178.445 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.415 ' N ' HD12 ' A' ' 22' ' ' LEU . 7.2 ttt85 -60.63 -52.49 64.91 Favored 'General case' 0 N--CA 1.485 1.311 0 CA-C-O 121.448 0.642 . . . . 0.0 112.292 -175.6 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 64.8 mm-40 -60.0 -34.17 72.97 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 115.084 -0.962 . . . . 0.0 111.93 -177.481 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 -71.69 -48.0 50.31 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.828 176.109 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 26.3 mt -62.14 -31.39 71.87 Favored 'General case' 0 N--CA 1.494 1.735 0 CA-C-N 115.249 -0.887 . . . . 0.0 111.541 -177.611 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.1 ttmm -54.89 -45.5 74.69 Favored 'General case' 0 CA--C 1.557 1.225 0 CA-C-O 121.101 0.477 . . . . 0.0 109.796 178.732 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -62.06 -34.07 87.79 Favored Glycine 0 CA--C 1.534 1.224 0 CA-C-N 115.505 -0.77 . . . . 0.0 111.911 179.482 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -70.63 2.8 3.66 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 123.025 0.53 . . . . 0.0 111.279 -178.792 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 71.3 19.89 77.8 Favored Glycine 0 N--CA 1.468 0.79 0 N-CA-C 111.288 -0.725 . . . . 0.0 111.288 177.222 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -67.9 162.51 24.05 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 117.465 0.632 . . . . 0.0 109.828 179.567 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 70.4 p -92.23 158.84 15.92 Favored 'General case' 0 C--O 1.217 -0.645 0 CA-C-N 115.694 -0.684 . . . . 0.0 109.725 -177.013 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 -61.93 -43.35 99.03 Favored 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 110.201 -0.296 . . . . 0.0 110.201 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.18 -46.65 87.84 Favored 'General case' 0 N--CA 1.47 0.572 0 O-C-N 123.429 0.456 . . . . 0.0 110.057 -179.521 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 67.5 mm-40 -67.71 -47.1 70.33 Favored 'General case' 0 N--CA 1.471 0.593 0 O-C-N 121.524 -0.735 . . . . 0.0 110.426 -178.259 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 81.4 mt -58.51 -50.3 79.33 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.82 0 CA-C-N 115.582 -0.735 . . . . 0.0 111.148 -177.469 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -64.2 -40.52 96.24 Favored 'General case' 0 C--N 1.35 0.587 0 CA-C-O 121.948 0.88 . . . . 0.0 111.454 -177.407 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.58 -44.76 81.35 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 115.024 -0.989 . . . . 0.0 110.759 -179.181 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.2 mp -61.43 -46.74 95.97 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.993 0 N-CA-C 112.303 0.483 . . . . 0.0 112.303 -173.308 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -68.27 -40.78 81.79 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.896 0.855 . . . . 0.0 110.825 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 15.8 m -59.11 -44.79 92.0 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 114.464 -1.243 . . . . 0.0 111.158 -175.712 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -67.94 -49.56 61.07 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.012 -179.212 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.428 ' CG ' ' SD ' ' A' ' 59' ' ' MET . 14.7 m-85 -73.87 -31.5 63.19 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 120.377 -0.529 . . . . 0.0 111.275 -177.643 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -106.61 104.56 14.27 Favored 'General case' 0 N--CA 1.48 1.049 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 178.234 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 11.8 mm100 -60.49 -50.32 74.04 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 116.07 -0.514 . . . . 0.0 112.06 -176.223 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 64.1 m-20 -104.8 -1.53 25.99 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-N 118.369 0.531 . . . . 0.0 111.208 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 54.29 20.98 17.74 Favored Glycine 0 N--CA 1.477 1.411 0 CA-C-O 119.985 -0.342 . . . . 0.0 112.306 -178.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -118.79 -11.5 9.77 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 123.585 0.754 . . . . 0.0 111.853 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.5 pp0? -117.73 152.33 35.49 Favored 'General case' 0 N--CA 1.481 1.119 0 CA-C-O 121.618 0.723 . . . . 0.0 111.324 -177.292 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 70.3 mt-10 -76.65 148.48 36.87 Favored 'General case' 0 C--O 1.235 0.311 0 C-N-CA 124.866 1.266 . . . . 0.0 108.599 178.548 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 84.7 mt -90.33 117.56 29.14 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-O 121.711 0.767 . . . . 0.0 109.683 -176.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.0 t -80.0 -178.17 6.36 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-N 114.65 -1.159 . . . . 0.0 108.824 -176.633 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 71.2 mt-10 -63.97 -58.74 5.82 Favored 'General case' 0 C--N 1.311 -1.069 0 CA-C-N 114.262 -1.335 . . . . 0.0 110.581 -178.065 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -54.12 -50.07 67.74 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 119.975 -0.69 . . . . 0.0 109.882 -174.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 41.3 tp10 -60.28 -48.5 81.46 Favored 'General case' 0 CA--C 1.535 0.377 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 178.658 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -61.93 -50.37 72.43 Favored 'General case' 0 CA--C 1.546 0.819 0 O-C-N 123.552 0.532 . . . . 0.0 111.72 -179.365 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -63.26 -34.44 77.68 Favored 'General case' 0 CA--C 1.547 0.858 0 O-C-N 121.505 -0.747 . . . . 0.0 111.267 -179.069 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 62.7 mt-30 -62.02 -55.18 31.86 Favored 'General case' 0 N--CA 1.484 1.241 0 N-CA-C 110.035 -0.358 . . . . 0.0 110.035 -179.739 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.428 ' SD ' ' CG ' ' A' ' 43' ' ' TYR . 14.1 ptm -62.11 -34.48 76.41 Favored 'General case' 0 C--N 1.343 0.312 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 179.164 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 58.2 ttp180 -59.33 -48.41 81.72 Favored 'General case' 0 C--N 1.365 1.271 0 C-N-CA 119.8 -0.76 . . . . 0.0 109.494 -175.489 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 75.7 m-20 -60.16 -36.05 76.7 Favored 'General case' 0 C--O 1.222 -0.359 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 178.705 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -69.63 -38.11 77.07 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 179.722 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 6.2 tp -62.75 -50.46 70.99 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.142 -178.752 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 74.2 mt-10 -57.68 -45.65 85.33 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-O 121.454 0.645 . . . . 0.0 109.967 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 56.0 mtpt -56.58 -38.4 71.95 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.201 179.668 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.63 -43.83 85.13 Favored 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 109.465 -0.569 . . . . 0.0 109.465 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 80.8 mtm180 -57.26 -54.58 45.16 Favored 'General case' 0 N--CA 1.479 0.976 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.791 -176.423 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 . . . . . 0 N--CA 1.48 1.065 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.294 179.937 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 59.1 m . . . . . 0 N--CA 1.471 0.62 0 CA-C-O 120.903 0.383 . . . . 0.0 110.479 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -68.52 -35.12 77.04 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.3 179.524 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 47.4 m -60.33 -48.44 81.72 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-O 120.623 0.249 . . . . 0.0 110.661 -179.48 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 33.3 mt -62.54 -43.38 98.95 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.974 179.487 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.434 ' O ' ' N ' ' A' ' 13' ' ' GLY . 57.9 ttm-85 -63.71 -52.87 58.63 Favored 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 -179.729 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 59.5 tp60 61.89 -70.76 0.05 OUTLIER 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 115.106 -0.952 . . . . 0.0 110.195 -179.704 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 11' ' ' ARG . . . 69.81 -1.56 15.67 Favored Glycine 0 N--CA 1.469 0.877 0 N-CA-C 110.712 -0.955 . . . . 0.0 110.712 179.563 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.67 -34.4 89.8 Favored Glycine 0 C--N 1.339 0.717 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 179.671 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 99.56 -73.79 0.49 Allowed Glycine 0 N--CA 1.472 1.07 0 N-CA-C 110.288 -1.125 . . . . 0.0 110.288 -179.542 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 45.5 mmtm -80.85 125.47 30.14 Favored 'General case' 0 N--CA 1.477 0.894 0 CA-C-O 121.093 0.473 . . . . 0.0 110.539 179.764 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.5 pp -161.33 150.1 16.05 Favored 'General case' 0 N--CA 1.437 -1.125 0 CA-C-N 115.24 -0.891 . . . . 0.0 109.384 179.433 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.419 ' O ' ' N ' ' A' ' 21' ' ' GLU . 2.5 p-10 -133.06 144.58 50.11 Favored 'General case' 0 C--N 1.318 -0.763 0 C-N-CA 124.011 0.924 . . . . 0.0 108.984 179.23 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 43.0 p90 -31.28 -33.23 0.01 OUTLIER 'General case' 0 C--O 1.202 -1.446 0 C-N-CA 124.243 1.017 . . . . 0.0 112.649 -178.744 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -73.52 -44.88 56.61 Favored 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 111.869 0.322 . . . . 0.0 111.869 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.419 ' N ' ' O ' ' A' ' 18' ' ' ASN . 0.0 OUTLIER -60.44 -45.64 92.92 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-O 121.3 0.571 . . . . 0.0 111.52 -175.477 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.411 HD12 ' N ' ' A' ' 23' ' ' ARG . 2.2 pp -76.72 -47.04 23.1 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.069 -0.969 . . . . 0.0 111.427 -179.559 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.411 ' N ' HD12 ' A' ' 22' ' ' LEU . 4.9 ttt180 -59.88 -50.01 75.47 Favored 'General case' 0 N--CA 1.477 0.91 0 CA-C-N 116.4 -0.363 . . . . 0.0 111.328 -176.11 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -56.16 -35.0 66.69 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.71 -178.704 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -72.18 -48.69 41.37 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 123.554 0.742 . . . . 0.0 112.906 177.862 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 47.7 mt -61.35 -31.24 71.12 Favored 'General case' 0 N--CA 1.483 1.206 0 CA-C-N 115.137 -0.938 . . . . 0.0 111.035 -176.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 31.6 ttmt -55.39 -45.0 76.64 Favored 'General case' 0 CA--C 1.548 0.89 0 CA-C-O 121.408 0.623 . . . . 0.0 109.509 178.532 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -62.03 -35.49 91.52 Favored Glycine 0 CA--C 1.53 0.972 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.353 179.616 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt -70.39 1.46 4.97 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 121.022 0.439 . . . . 0.0 110.991 -179.107 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 71.82 19.87 78.38 Favored Glycine 0 N--CA 1.465 0.585 0 CA-C-N 115.516 -0.766 . . . . 0.0 111.916 177.844 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -67.59 162.36 23.65 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 118.094 0.947 . . . . 0.0 109.94 179.169 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 63.0 p -92.82 160.84 14.76 Favored 'General case' 0 CA--C 1.506 -0.726 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.631 -177.045 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 15.6 p-10 -60.52 -41.26 94.04 Favored 'General case' 0 N--CA 1.463 0.205 0 N-CA-C 110.162 -0.31 . . . . 0.0 110.162 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.72 -47.16 86.75 Favored 'General case' 0 CA--C 1.539 0.521 0 O-C-N 123.497 0.498 . . . . 0.0 109.968 -179.774 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.466 ' O ' HD13 ' A' ' 39' ' ' ILE . 75.8 mt-10 -67.61 -47.9 68.36 Favored 'General case' 0 N--CA 1.472 0.636 0 O-C-N 121.568 -0.707 . . . . 0.0 110.349 -178.329 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 79.5 mt -57.82 -50.62 77.08 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.841 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.9 -176.899 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -64.77 -42.11 95.36 Favored 'General case' 0 C--N 1.351 0.656 0 CA-C-O 121.78 0.8 . . . . 0.0 111.762 -177.023 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.93 -44.6 88.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.421 -0.809 . . . . 0.0 111.242 -179.052 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.466 HD13 ' O ' ' A' ' 35' ' ' GLU . 1.2 mp -61.5 -47.33 93.92 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.694 0 C-N-CA 120.257 -0.577 . . . . 0.0 112.315 -173.426 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -67.51 -41.77 83.92 Favored 'General case' 0 CA--C 1.507 -0.691 0 CA-C-O 122.221 1.01 . . . . 0.0 110.707 -179.405 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 24.0 m -59.73 -43.97 93.98 Favored 'General case' 0 N--CA 1.442 -0.84 0 CA-C-N 113.391 -1.731 . . . . 0.0 111.124 -177.26 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 61.0 tttp -65.73 -50.11 66.0 Favored 'General case' 0 N--CA 1.442 -0.86 0 C-N-CA 119.587 -0.845 . . . . 0.0 110.402 -178.06 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.475 ' OH ' HD13 ' A' ' 63' ' ' LEU . 29.8 m-85 -73.82 -32.72 63.85 Favored 'General case' 0 C--N 1.356 0.863 0 C-N-CA 118.994 -1.082 . . . . 0.0 110.583 -177.506 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -100.77 103.86 15.1 Favored 'General case' 0 N--CA 1.487 1.421 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 178.788 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 11.8 mm100 -60.97 -50.75 72.12 Favored 'General case' 0 C--O 1.239 0.542 0 N-CA-C 112.665 0.617 . . . . 0.0 112.665 -175.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 65.6 m-20 -105.82 -2.34 23.23 Favored 'General case' 0 N--CA 1.485 1.304 0 CA-C-N 119.028 0.831 . . . . 0.0 111.401 179.246 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 45.85 31.64 4.14 Favored Glycine 0 N--CA 1.482 1.738 0 C-N-CA 121.88 -0.2 . . . . 0.0 113.261 -179.679 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -115.42 -15.08 11.56 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 123.24 0.616 . . . . 0.0 111.568 -178.084 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -132.07 173.94 10.7 Favored 'General case' 0 N--CA 1.484 1.263 0 CA-C-O 121.37 0.605 . . . . 0.0 110.819 -178.368 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 67.4 mt-10 -75.47 147.58 39.74 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 179.784 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 19.6 tp -90.55 121.9 32.89 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 -177.162 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 6.6 t -80.01 179.91 7.35 Favored 'General case' 0 CA--C 1.499 -0.998 0 CA-C-N 115.228 -0.896 . . . . 0.0 109.987 -177.007 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 72.5 mt-10 -75.25 -50.97 14.43 Favored 'General case' 0 N--CA 1.44 -0.96 0 CA-C-N 113.497 -1.683 . . . . 0.0 110.646 -178.138 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 84.3 t60 -54.61 -50.63 67.6 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 119.858 -0.737 . . . . 0.0 109.76 -174.323 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 90.0 mt-10 -60.94 -50.71 72.31 Favored 'General case' 0 C--O 1.219 -0.53 0 CA-C-N 118.327 0.512 . . . . 0.0 109.742 178.099 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 73.9 t60 -59.96 -53.76 54.1 Favored 'General case' 0 CA--C 1.547 0.839 0 N-CA-C 112.422 0.527 . . . . 0.0 112.422 -178.633 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.0 mp0 -56.78 -39.99 75.08 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 118.442 0.565 . . . . 0.0 111.877 -178.732 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 81.8 mt-30 -63.25 -54.17 41.54 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 179.675 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 34.3 mmt -63.95 -34.71 78.6 Favored 'General case' 0 C--N 1.346 0.423 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 179.626 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 59.2 ttp180 -59.1 -48.2 82.47 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 119.572 -0.851 . . . . 0.0 109.667 -178.526 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -60.51 -36.32 78.07 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-O 121.512 0.672 . . . . 0.0 109.904 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 48.6 m-20 -68.43 -39.81 81.4 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 114.853 -1.067 . . . . 0.0 109.086 178.613 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.475 HD13 ' OH ' ' A' ' 43' ' ' TYR . 40.7 tp -59.73 -48.53 81.31 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.423 -179.284 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -56.93 -44.26 82.28 Favored 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 31.1 tptt -59.83 -42.85 94.45 Favored 'General case' 0 CA--C 1.546 0.793 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.597 179.142 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -65.72 -44.49 85.88 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-N 116.117 -0.492 . . . . 0.0 109.869 179.593 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -53.49 -44.39 68.99 Favored 'General case' 0 N--CA 1.48 1.068 0 N-CA-C 110.623 -0.14 . . . . 0.0 110.623 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 79.1 tt0 . . . . . 0 N--CA 1.476 0.831 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 179.702 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 96.9 p . . . . . 0 N--CA 1.468 0.44 0 CA-C-O 120.177 0.037 . . . . 0.0 110.934 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -70.33 -37.37 74.67 Favored 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 110.059 -0.348 . . . . 0.0 110.059 179.361 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 79.5 p -60.22 -48.11 83.11 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 116.614 -0.266 . . . . 0.0 110.845 -179.275 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.596 HD12 ' CD2' ' A' ' 43' ' ' TYR . 4.2 mm? -64.01 -44.26 93.15 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 121.104 -0.239 . . . . 0.0 111.178 179.779 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 91.1 mtm180 -71.39 -53.43 14.13 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-O 120.779 0.323 . . . . 0.0 111.042 -178.79 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 9.7 tp-100 -79.52 143.14 35.13 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.51 -178.823 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 69.53 18.18 73.45 Favored Glycine 0 C--N 1.339 0.705 0 N-CA-C 110.593 -1.003 . . . . 0.0 110.593 179.487 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.555 ' O ' ' N ' ' A' ' 16' ' ' LYS . . . -62.63 -115.32 0.01 OUTLIER Glycine 0 CA--C 1.533 1.185 0 N-CA-C 110.521 -1.032 . . . . 0.0 110.521 -179.772 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 51.53 -75.25 0.01 OUTLIER Glycine 0 N--CA 1.479 1.552 0 CA-C-N 117.612 0.706 . . . . 0.0 111.699 -179.484 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.555 ' N ' ' O ' ' A' ' 14' ' ' GLY . 55.7 tttp -120.85 130.09 53.8 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 108.376 -0.972 . . . . 0.0 108.376 176.829 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.437 HD22 ' HB3' ' A' ' 22' ' ' LEU . 9.5 mt -148.1 130.47 15.68 Favored 'General case' 0 N--CA 1.477 0.89 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 179.043 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.467 ' ND2' ' CE2' ' A' ' 19' ' ' PHE . 15.9 t-20 -128.79 141.61 51.25 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 107.473 -1.306 . . . . 0.0 107.473 178.046 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.467 ' CE2' ' ND2' ' A' ' 18' ' ' ASN . 55.3 p90 -30.66 -35.64 0.01 OUTLIER 'General case' 0 C--O 1.207 -1.17 0 O-C-N 124.013 0.821 . . . . 0.0 112.321 -177.092 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -72.9 -45.47 58.01 Favored 'General case' 0 N--CA 1.476 0.855 0 N-CA-C 112.466 0.543 . . . . 0.0 112.466 179.205 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.418 ' N ' ' O ' ' A' ' 18' ' ' ASN . 69.1 mm-40 -59.78 -47.31 86.2 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 112.714 0.635 . . . . 0.0 112.714 -177.741 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.454 HD12 ' N ' ' A' ' 23' ' ' ARG . 2.2 pp -75.71 -46.82 28.97 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 115.529 -0.759 . . . . 0.0 112.659 179.092 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.454 ' N ' HD12 ' A' ' 22' ' ' LEU . 11.3 ttm180 -61.64 -49.99 74.35 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-O 121.335 0.588 . . . . 0.0 111.468 -175.701 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 56.7 mm-40 -61.75 -34.36 75.71 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.595 -178.473 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -71.25 -48.82 48.72 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.698 0.761 . . . . 0.0 110.094 176.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 23.0 mt -63.14 -31.62 72.8 Favored 'General case' 0 N--CA 1.49 1.525 0 CA-C-N 114.521 -1.218 . . . . 0.0 111.463 -177.385 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 34.9 ttpt -55.27 -44.81 75.97 Favored 'General case' 0 CA--C 1.556 1.21 0 CA-C-O 121.214 0.53 . . . . 0.0 110.033 178.767 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -63.48 -33.51 87.44 Favored Glycine 0 CA--C 1.531 1.085 0 CA-C-N 115.916 -0.584 . . . . 0.0 112.055 179.464 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -70.56 6.49 1.4 Allowed 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 122.638 0.375 . . . . 0.0 111.409 -178.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 70.13 19.83 75.97 Favored Glycine 0 N--CA 1.464 0.552 0 N-CA-C 111.518 -0.633 . . . . 0.0 111.518 177.088 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -69.98 162.78 27.44 Favored 'General case' 0 C--N 1.345 0.38 0 CA-C-N 117.752 0.776 . . . . 0.0 109.93 179.523 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 68.3 p -96.3 160.36 14.47 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.067 -177.365 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 15.5 p-10 -61.08 -40.53 94.05 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.408 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.29 -46.6 89.28 Favored 'General case' 0 C--N 1.35 0.609 0 C-N-CA 120.429 -0.508 . . . . 0.0 109.797 -179.69 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.407 ' O ' HD13 ' A' ' 39' ' ' ILE . 71.0 mm-40 -69.14 -48.11 63.27 Favored 'General case' 0 N--CA 1.474 0.732 0 O-C-N 121.574 -0.703 . . . . 0.0 110.39 -178.176 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 81.6 mt -57.72 -50.2 78.27 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.798 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.244 -177.577 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -64.58 -36.96 85.93 Favored 'General case' 0 C--N 1.346 0.449 0 CA-C-O 121.099 0.476 . . . . 0.0 111.047 -178.254 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.94 -45.42 77.87 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.764 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.407 HD13 ' O ' ' A' ' 35' ' ' GLU . 1.4 mp -61.62 -47.04 95.18 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.888 0 C-N-CA 119.927 -0.709 . . . . 0.0 112.063 -175.189 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -67.74 -40.68 84.11 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.175 0.512 . . . . 0.0 109.818 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 14.0 m -59.03 -46.37 88.38 Favored 'General case' 0 C--N 1.345 0.392 0 CA-C-N 115.628 -0.715 . . . . 0.0 111.204 -176.03 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 54.8 mtmt -71.59 -48.61 47.11 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.16 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.596 ' CD2' HD12 ' A' ' 10' ' ' LEU . 15.7 m-85 -71.71 -29.49 64.61 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-O 119.696 -0.193 . . . . 0.0 110.482 -177.811 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.479 ' N ' ' OD1' ' A' ' 44' ' ' ASP . 0.0 OUTLIER -115.69 106.91 14.42 Favored 'General case' 0 N--CA 1.479 0.979 0 N-CA-C 107.988 -1.115 . . . . 0.0 107.988 -178.961 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 22.5 mm-40 -62.06 -50.82 70.46 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 119.2 -0.428 . . . . 0.0 111.992 -176.715 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 66.5 m-20 -106.34 -2.22 22.48 Favored 'General case' 0 N--CA 1.479 0.991 0 CA-C-N 118.48 0.582 . . . . 0.0 111.495 178.57 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 47.66 29.24 5.69 Favored Glycine 0 N--CA 1.478 1.495 0 C-N-CA 121.735 -0.269 . . . . 0.0 112.766 -179.061 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -117.54 -14.58 10.27 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.161 0.584 . . . . 0.0 111.737 -179.037 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.1 pm0 -128.66 177.23 7.18 Favored 'General case' 0 N--CA 1.487 1.412 0 CA-C-O 121.563 0.697 . . . . 0.0 111.588 -177.813 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -75.5 148.31 39.09 Favored 'General case' 0 CA--C 1.528 0.107 0 CA-C-N 114.929 -1.032 . . . . 0.0 109.552 179.249 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 6.1 mt -90.35 120.89 31.85 Favored 'General case' 0 N--CA 1.477 0.898 0 CA-C-O 121.233 0.54 . . . . 0.0 109.707 -176.509 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.3 t -80.57 179.23 7.85 Favored 'General case' 0 CA--C 1.502 -0.902 0 CA-C-N 115.104 -0.953 . . . . 0.0 109.489 -177.392 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -72.64 -53.75 10.96 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-N 113.618 -1.628 . . . . 0.0 111.071 -178.721 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 31.0 t-80 -54.74 -50.4 68.5 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 119.847 -0.741 . . . . 0.0 110.5 -174.409 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -61.59 -50.33 73.01 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 118.301 0.5 . . . . 0.0 110.252 178.496 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 54.5 t-80 -60.62 -51.15 70.62 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 112.37 0.507 . . . . 0.0 112.37 -178.862 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 4.1 mp0 -60.22 -34.2 73.33 Favored 'General case' 0 N--CA 1.475 0.818 0 O-C-N 122.065 -0.397 . . . . 0.0 111.108 -179.458 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 48.4 tt0 -65.4 -54.25 31.47 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 -179.54 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 34.3 mmt -62.84 -34.22 76.88 Favored 'General case' 0 C--N 1.35 0.614 0 N-CA-C 110.139 -0.319 . . . . 0.0 110.139 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 73.4 ttt180 -58.94 -49.04 79.35 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 119.646 -0.821 . . . . 0.0 109.902 -178.545 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 -60.58 -38.09 83.49 Favored 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 109.879 -0.415 . . . . 0.0 109.879 179.588 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 56.4 m-20 -67.02 -40.65 87.29 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.619 178.704 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 6.6 tp -60.07 -49.4 77.8 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.051 -179.146 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -57.99 -44.21 87.01 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 120.848 -0.341 . . . . 0.0 110.155 179.23 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 66.8 mmtt -63.44 -45.55 90.39 Favored 'General case' 0 N--CA 1.476 0.872 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.68 179.448 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -67.16 -44.04 80.77 Favored 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 109.951 -0.388 . . . . 0.0 109.951 179.515 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 37.6 mmm-85 -55.43 -40.14 71.14 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.836 179.705 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 79.7 tt0 . . . . . 0 N--CA 1.474 0.744 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 179.346 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 51.6 m . . . . . 0 N--CA 1.47 0.538 0 CA-C-O 120.776 0.322 . . . . 0.0 110.227 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 78.3 mt-10 -66.49 -35.31 79.94 Favored 'General case' 0 CA--C 1.543 0.707 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.388 179.694 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 35.4 t -63.97 -40.6 96.78 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-O 120.861 0.363 . . . . 0.0 111.469 179.82 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 9.4 mp -59.06 -30.05 67.76 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.831 -179.039 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 81.1 mtp180 -59.29 -37.39 77.56 Favored 'General case' 0 N--CA 1.48 1.04 0 CA-C-O 121.082 0.468 . . . . 0.0 110.003 -179.176 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 97.1 mm-40 -67.72 151.95 46.4 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 108.269 -1.011 . . . . 0.0 108.269 178.528 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.405 ' C ' ' H ' ' A' ' 15' ' ' GLY . . . 144.65 18.54 0.19 Allowed Glycine 0 N--CA 1.482 1.76 0 N-CA-C 109.682 -1.367 . . . . 0.0 109.682 -177.216 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -69.62 43.13 0.45 Allowed Glycine 0 CA--C 1.533 1.173 0 N-CA-C 111.479 -0.648 . . . . 0.0 111.479 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.405 ' H ' ' C ' ' A' ' 13' ' ' GLY . . . 70.21 -72.49 0.58 Allowed Glycine 0 N--CA 1.466 0.643 0 N-CA-C 111.541 -0.624 . . . . 0.0 111.541 179.491 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 70.5 mmtt -92.43 117.51 30.0 Favored 'General case' 0 N--CA 1.479 1.017 0 CA-C-O 120.872 0.368 . . . . 0.0 111.116 -179.187 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.0 pp -160.36 150.54 18.17 Favored 'General case' 0 N--CA 1.447 -0.589 0 N-CA-C 108.385 -0.968 . . . . 0.0 108.385 177.203 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.509 ' O ' ' N ' ' A' ' 21' ' ' GLU . 0.8 OUTLIER -138.71 147.37 42.64 Favored 'General case' 0 N--CA 1.477 0.924 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 179.61 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 42.3 p90 -33.0 -29.17 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 124.656 1.182 . . . . 0.0 113.195 -179.042 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.406 ' N ' ' O ' ' A' ' 18' ' ' ASN . 61.0 m-20 -68.88 -45.15 71.72 Favored 'General case' 0 C--O 1.213 -0.861 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 178.111 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.509 ' N ' ' O ' ' A' ' 18' ' ' ASN . 74.1 mm-40 -59.56 -40.69 88.14 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 115.941 -0.572 . . . . 0.0 109.849 179.821 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 84.7 mt -73.78 -48.24 33.01 Favored 'General case' 0 N--CA 1.478 0.955 0 CA-C-O 121.243 0.544 . . . . 0.0 110.551 178.747 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 50.0 ttp85 -61.63 -52.51 64.08 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-N 115.418 -0.81 . . . . 0.0 112.385 -178.536 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 6.8 mm100 -61.66 -38.89 89.41 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-N 115.73 -0.668 . . . . 0.0 112.145 -175.505 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 89.7 m-20 -72.45 -49.52 32.82 Favored 'General case' 0 N--CA 1.445 -0.72 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 174.538 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 56.3 mt -63.95 -33.42 75.69 Favored 'General case' 0 N--CA 1.501 2.114 0 CA-C-N 115.405 -0.816 . . . . 0.0 112.573 -177.214 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.7 ttpp -55.07 -43.9 74.32 Favored 'General case' 0 CA--C 1.562 1.415 0 CA-C-O 121.188 0.518 . . . . 0.0 110.137 177.409 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -62.72 -30.2 76.17 Favored Glycine 0 CA--C 1.538 1.471 0 CA-C-N 116.16 -0.473 . . . . 0.0 113.221 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -73.52 6.85 2.72 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 122.575 0.35 . . . . 0.0 111.413 -178.46 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 71.02 15.83 74.48 Favored Glycine 0 N--CA 1.468 0.809 0 CA-C-N 116.004 -0.544 . . . . 0.0 112.01 177.142 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -67.47 161.99 24.18 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 117.387 0.593 . . . . 0.0 109.526 179.384 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 60.8 p -93.37 163.15 13.71 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 115.547 -0.752 . . . . 0.0 109.851 -177.228 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -59.96 -41.73 92.54 Favored 'General case' 0 C--O 1.232 0.152 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.73 -47.24 86.44 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 120.715 -0.394 . . . . 0.0 109.983 179.685 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -69.26 -45.76 68.92 Favored 'General case' 0 N--CA 1.479 1.012 0 O-C-N 121.345 -0.847 . . . . 0.0 110.582 -177.536 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 85.6 mt -58.83 -50.66 78.62 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.902 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.463 -177.743 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -62.79 -44.41 96.24 Favored 'General case' 0 C--N 1.352 0.682 0 CA-C-O 121.203 0.525 . . . . 0.0 112.239 -177.405 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.7 -44.73 95.48 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 115.018 -0.992 . . . . 0.0 112.296 -179.164 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.3 mp -65.86 -47.34 85.9 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.883 0 C-N-CA 119.676 -0.81 . . . . 0.0 112.02 -174.063 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.445 ' CG ' ' N ' ' A' ' 41' ' ' THR . 0.2 OUTLIER -66.4 -46.09 77.77 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 121.218 0.532 . . . . 0.0 111.373 -178.068 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.445 ' N ' ' CG ' ' A' ' 40' ' ' PHE . 6.0 t -64.44 -35.62 81.5 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-N 114.707 -1.133 . . . . 0.0 112.009 -174.422 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -66.02 -49.91 66.09 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 120.203 -0.599 . . . . 0.0 109.636 -179.407 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 45.0 m-85 -74.51 -33.04 62.71 Favored 'General case' 0 C--N 1.364 1.218 0 C-N-CA 118.685 -1.206 . . . . 0.0 110.101 -178.793 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 -97.96 100.75 12.11 Favored 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 178.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 12.0 mm100 -59.29 -50.81 72.57 Favored 'General case' 0 CA--C 1.545 0.785 0 N-CA-C 112.862 0.69 . . . . 0.0 112.862 -175.909 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 66.2 m-20 -106.05 -2.59 22.56 Favored 'General case' 0 N--CA 1.49 1.549 0 CA-C-N 119.382 0.992 . . . . 0.0 111.995 178.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 43.35 31.71 1.58 Allowed Glycine 0 N--CA 1.492 2.415 0 CA-C-O 120.791 0.106 . . . . 0.0 113.196 -179.319 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -114.38 -21.38 10.41 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 123.766 0.826 . . . . 0.0 111.844 -178.414 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -127.16 176.59 7.26 Favored 'General case' 0 N--CA 1.493 1.713 0 C-N-CA 123.122 0.569 . . . . 0.0 110.869 -178.553 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 20.4 mp0 -75.91 146.88 39.39 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 18.9 tp -91.71 121.72 33.61 Favored 'General case' 0 N--CA 1.48 1.07 0 CA-C-O 120.976 0.417 . . . . 0.0 110.357 -177.114 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.2 t -80.13 177.01 9.24 Favored 'General case' 0 CA--C 1.505 -0.787 0 CA-C-O 122.308 1.051 . . . . 0.0 110.552 -177.346 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.435 ' H ' ' CD ' ' A' ' 53' ' ' GLU . 3.3 pm0 -73.85 -48.7 29.25 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 113.087 -1.869 . . . . 0.0 110.208 -178.596 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 56.6 t-80 -54.76 -50.71 67.78 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 119.892 -0.723 . . . . 0.0 110.24 -174.302 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 74.9 mt-10 -63.95 -50.36 68.92 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 118.415 0.552 . . . . 0.0 109.896 178.631 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 42.6 t-80 -58.23 -53.65 55.88 Favored 'General case' 0 CA--C 1.549 0.924 0 N-CA-C 112.192 0.441 . . . . 0.0 112.192 -179.319 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.0 mp0 -61.31 -40.13 93.05 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-N 118.529 0.604 . . . . 0.0 111.279 -179.119 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 57.2 tt0 -63.91 -55.0 25.88 Favored 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 -179.63 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 86.3 mmm -60.84 -43.97 97.61 Favored 'General case' 0 C--N 1.346 0.445 0 CA-C-O 121.014 0.435 . . . . 0.0 111.085 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 72.2 ttt180 -59.33 -49.52 77.49 Favored 'General case' 0 CA--C 1.552 1.05 0 C-N-CA 119.704 -0.798 . . . . 0.0 109.062 -179.471 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -60.23 -37.84 81.58 Favored 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 -179.504 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 76.2 m-20 -65.48 -40.37 93.05 Favored 'General case' 0 C--N 1.342 0.258 0 N-CA-C 108.174 -1.047 . . . . 0.0 108.174 178.161 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.2 tp -58.51 -46.93 85.71 Favored 'General case' 0 C--N 1.35 0.622 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.382 -178.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -61.06 -44.43 97.39 Favored 'General case' 0 CA--C 1.559 1.315 0 C-N-CA 120.65 -0.42 . . . . 0.0 110.543 178.618 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -60.12 -48.28 82.38 Favored 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 113.276 0.843 . . . . 0.0 113.276 -178.574 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -70.84 -36.86 73.06 Favored 'General case' 0 N--CA 1.485 1.299 0 N-CA-C 110.164 -0.31 . . . . 0.0 110.164 -179.618 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 41.5 mtp85 -54.03 -49.63 68.49 Favored 'General case' 0 N--CA 1.484 1.241 0 CA-C-N 116.615 -0.266 . . . . 0.0 110.559 -179.647 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 73.4 mt-10 . . . . . 0 N--CA 1.483 1.204 0 CA-C-O 121.003 0.43 . . . . 0.0 109.933 179.732 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 83.1 p . . . . . 0 N--CA 1.467 0.422 0 CA-C-O 120.269 0.08 . . . . 0.0 111.145 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 79.2 tt0 -68.83 -38.97 80.2 Favored 'General case' 0 N--CA 1.472 0.65 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 178.746 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 89.4 p -61.57 -49.04 78.25 Favored 'General case' 0 N--CA 1.48 1.046 0 CA-C-O 120.926 0.393 . . . . 0.0 110.473 -179.827 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 59.8 mt -58.93 -43.7 91.23 Favored 'General case' 0 CA--C 1.545 0.775 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.027 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.47 ' O ' ' N ' ' A' ' 13' ' ' GLY . 40.3 ttm180 -64.51 -54.3 34.53 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 110.249 -0.278 . . . . 0.0 110.249 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 61.8 tp60 54.49 -75.87 0.01 OUTLIER 'General case' 0 CA--C 1.549 0.911 0 O-C-N 124.158 0.911 . . . . 0.0 111.026 -179.008 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 11' ' ' ARG . . . 74.42 16.23 80.03 Favored Glycine 0 N--CA 1.468 0.781 0 N-CA-C 110.832 -0.907 . . . . 0.0 110.832 179.166 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -78.25 -15.87 80.4 Favored Glycine 0 N--CA 1.466 0.658 0 N-CA-C 110.824 -0.91 . . . . 0.0 110.824 179.691 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 95.02 -28.16 12.53 Favored Glycine 0 N--CA 1.477 1.389 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp -119.37 122.79 42.6 Favored 'General case' 0 N--CA 1.482 1.153 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 179.32 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.48 ' CD2' HD21 ' A' ' 22' ' ' LEU . 1.1 mt -132.78 109.92 10.0 Favored 'General case' 0 C--N 1.352 0.71 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 -178.823 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.459 ' O ' ' N ' ' A' ' 21' ' ' GLU . 2.2 p-10 -125.1 132.33 53.15 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 107.457 -1.312 . . . . 0.0 107.457 178.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 29.8 p90 -31.52 -29.93 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.693 1.197 . . . . 0.0 113.741 -179.175 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.435 ' N ' ' O ' ' A' ' 18' ' ' ASN . 66.8 m-20 -71.49 -45.48 62.38 Favored 'General case' 0 C--O 1.218 -0.562 0 CA-C-N 115.58 -0.736 . . . . 0.0 109.355 -179.702 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 18' ' ' ASN . 0.0 OUTLIER -58.38 -36.83 74.11 Favored 'General case' 0 CA--C 1.549 0.924 0 N-CA-C 107.806 -1.183 . . . . 0.0 107.806 -178.556 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.48 HD21 ' CD2' ' A' ' 17' ' ' LEU . 96.2 mt -73.69 -48.42 32.31 Favored 'General case' 0 CA--C 1.495 -1.155 0 CA-C-O 121.533 0.682 . . . . 0.0 110.81 178.666 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 11.7 ttm180 -61.16 -51.69 67.97 Favored 'General case' 0 C--N 1.312 -1.033 0 CA-C-N 115.188 -0.915 . . . . 0.0 111.275 -177.646 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 82.5 mt-30 -62.04 -37.12 83.72 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 112.696 0.628 . . . . 0.0 112.696 -177.444 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -72.06 -48.82 41.45 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.034 0.445 . . . . 0.0 110.379 176.462 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 24.1 mt -61.33 -32.05 71.92 Favored 'General case' 0 N--CA 1.493 1.69 0 CA-C-N 115.309 -0.86 . . . . 0.0 112.139 -176.814 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 32.1 ttmt -54.97 -44.41 74.38 Favored 'General case' 0 CA--C 1.555 1.149 0 CA-C-O 121.201 0.524 . . . . 0.0 110.451 178.867 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -62.96 -33.48 87.3 Favored Glycine 0 CA--C 1.532 1.116 0 CA-C-N 115.56 -0.745 . . . . 0.0 112.285 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt -70.6 4.37 2.47 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 122.836 0.455 . . . . 0.0 111.489 -178.522 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 70.43 19.62 76.31 Favored Glycine 0 N--CA 1.47 0.944 0 N-CA-C 111.722 -0.551 . . . . 0.0 111.722 177.181 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -71.41 162.34 29.59 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 117.33 0.565 . . . . 0.0 109.481 179.543 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 72.9 p -90.7 162.76 14.77 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.052 -177.712 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -59.56 -44.11 93.38 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.675 -0.239 . . . . 0.0 110.366 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.04 -47.42 85.28 Favored 'General case' 0 N--CA 1.47 0.572 0 O-C-N 123.385 0.428 . . . . 0.0 110.353 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 71.4 mm-40 -69.56 -41.64 75.61 Favored 'General case' 0 N--CA 1.476 0.863 0 O-C-N 121.487 -0.758 . . . . 0.0 111.059 -177.689 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 64.3 mt -59.52 -50.58 79.39 Favored 'Isoleucine or valine' 0 C--O 1.245 0.819 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.012 -179.029 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -63.61 -42.24 98.24 Favored 'General case' 0 C--N 1.345 0.412 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.58 -177.197 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.55 -45.88 90.92 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 116.011 -0.54 . . . . 0.0 112.109 -178.468 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.3 mp -60.84 -46.85 95.51 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.856 0 C-N-CA 119.922 -0.711 . . . . 0.0 111.149 -173.89 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -66.99 -39.84 87.24 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.572 0.701 . . . . 0.0 110.271 -178.505 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 36.8 m -61.5 -46.27 90.69 Favored 'General case' 0 C--O 1.239 0.524 0 CA-C-N 114.249 -1.341 . . . . 0.0 111.578 -175.294 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -66.73 -49.2 66.75 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 -179.718 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 16.7 m-85 -71.49 -32.41 68.21 Favored 'General case' 0 C--O 1.217 -0.619 0 C-N-CA 119.97 -0.692 . . . . 0.0 110.427 -177.583 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -113.83 105.57 13.42 Favored 'General case' 0 N--CA 1.489 1.498 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 179.467 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 27.8 mm-40 -59.2 -51.44 69.96 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-O 119.187 -0.435 . . . . 0.0 112.125 -175.691 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 27.9 t0 -106.27 -3.01 21.72 Favored 'General case' 0 N--CA 1.483 1.212 0 CA-C-N 118.821 0.737 . . . . 0.0 111.823 178.319 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 42.65 40.8 4.02 Favored Glycine 0 N--CA 1.488 2.14 0 CA-C-N 117.816 0.28 . . . . 0.0 112.533 -179.003 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -118.0 -20.69 8.63 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 123.569 0.748 . . . . 0.0 111.836 -178.017 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -129.56 -178.61 4.75 Favored 'General case' 0 N--CA 1.489 1.502 0 CA-C-O 121.371 0.605 . . . . 0.0 110.989 -177.83 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -76.26 146.85 38.68 Favored 'General case' 0 C--N 1.341 0.2 0 CA-C-N 115.483 -0.78 . . . . 0.0 109.404 179.395 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 31.1 tp -91.29 122.72 34.15 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-O 121.352 0.596 . . . . 0.0 110.68 -177.592 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 6.3 t -80.35 -179.83 7.32 Favored 'General case' 0 CA--C 1.504 -0.796 0 CA-C-N 115.122 -0.944 . . . . 0.0 110.568 -178.23 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -73.54 -49.42 26.57 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-N 113.478 -1.692 . . . . 0.0 110.532 -178.611 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 82.4 t60 -54.46 -51.24 65.62 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 120.454 -0.498 . . . . 0.0 110.0 -174.707 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 67.8 mm-40 -62.0 -51.04 69.63 Favored 'General case' 0 CA--C 1.539 0.525 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 178.346 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.485 ' CD2' HH21 ' A' ' 60' ' ' ARG . 0.9 OUTLIER -58.5 -53.74 54.86 Favored 'General case' 0 CA--C 1.546 0.799 0 N-CA-C 112.736 0.643 . . . . 0.0 112.736 -179.321 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.1 mp0 -57.56 -37.67 73.52 Favored 'General case' 0 CA--C 1.547 0.83 0 CA-C-N 118.222 0.464 . . . . 0.0 111.469 -178.553 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 21.9 mt-30 -63.81 -53.88 43.9 Favored 'General case' 0 N--CA 1.478 0.974 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 179.205 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 67.8 mmm -64.75 -35.09 79.96 Favored 'General case' 0 CA--C 1.512 -0.495 0 CA-C-O 120.893 0.378 . . . . 0.0 111.057 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.485 HH21 ' CD2' ' A' ' 56' ' ' HIS . 38.2 ttm180 -59.76 -48.93 79.71 Favored 'General case' 0 CA--C 1.549 0.933 0 N-CA-C 109.23 -0.655 . . . . 0.0 109.23 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 75.9 m-20 -60.71 -36.6 79.24 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-O 121.09 0.471 . . . . 0.0 110.046 -179.716 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 62.3 m-20 -64.76 -36.66 85.01 Favored 'General case' 0 N--CA 1.464 0.249 0 N-CA-C 108.963 -0.754 . . . . 0.0 108.963 178.216 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 7.3 tp -58.66 -47.7 83.56 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.566 -179.311 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -61.18 -44.47 97.25 Favored 'General case' 0 CA--C 1.554 1.113 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.41 179.404 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -63.91 -49.74 71.46 Favored 'General case' 0 N--CA 1.487 1.399 0 N-CA-C 113.718 1.007 . . . . 0.0 113.718 -178.803 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -67.98 -44.79 75.85 Favored 'General case' 0 N--CA 1.482 1.137 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 -177.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 79.1 mtm180 -55.88 -44.14 77.85 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-N 116.541 -0.3 . . . . 0.0 110.538 -179.677 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 77.0 tt0 . . . . . 0 N--CA 1.48 1.052 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 179.752 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 48.2 m . . . . . 0 N--CA 1.475 0.808 0 CA-C-O 120.677 0.275 . . . . 0.0 111.341 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 64.6 mm-40 -72.01 -35.46 69.44 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 122.495 0.318 . . . . 0.0 110.478 177.748 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 43.9 t -59.59 -50.05 75.38 Favored 'General case' 0 N--CA 1.479 0.99 0 CA-C-O 120.725 0.297 . . . . 0.0 110.909 -179.705 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 9.6 mp -62.82 -42.78 99.87 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 178.851 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.487 ' O ' ' N ' ' A' ' 13' ' ' GLY . 58.1 ttm-85 -59.7 -54.37 47.16 Favored 'General case' 0 C--N 1.352 0.708 0 C-N-CA 120.84 -0.344 . . . . 0.0 110.336 -179.39 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 53.52 -77.47 0.01 OUTLIER 'General case' 0 CA--C 1.545 0.779 0 O-C-N 124.254 0.971 . . . . 0.0 110.844 -179.602 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.487 ' N ' ' O ' ' A' ' 11' ' ' ARG . . . 78.12 16.89 79.11 Favored Glycine 0 N--CA 1.473 1.123 0 N-CA-C 110.632 -0.987 . . . . 0.0 110.632 179.416 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -76.61 -16.91 80.36 Favored Glycine 0 CA--C 1.531 1.033 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 179.833 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 95.47 -32.73 5.99 Favored Glycine 0 N--CA 1.48 1.611 0 N-CA-C 111.272 -0.731 . . . . 0.0 111.272 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 46.5 mtmt -119.72 127.43 52.84 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 123.301 0.64 . . . . 0.0 109.418 179.338 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.4 tp -153.3 136.43 15.61 Favored 'General case' 0 C--O 1.221 -0.418 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 -179.159 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 21.1 p30 -156.39 164.78 37.87 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 108.232 -1.025 . . . . 0.0 108.232 179.094 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 24.0 p90 -31.13 -40.22 0.03 OUTLIER 'General case' 0 N--CA 1.483 1.184 0 O-C-N 124.357 1.036 . . . . 0.0 113.119 -177.199 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -74.19 -45.81 46.08 Favored 'General case' 0 C--O 1.208 -1.086 0 CA-C-O 121.436 0.636 . . . . 0.0 112.453 -179.607 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 66.2 mm-40 -61.62 -44.84 96.24 Favored 'General case' 0 N--CA 1.484 1.244 0 CA-C-O 121.321 0.581 . . . . 0.0 111.922 -175.263 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.4 pp -75.42 -47.43 27.4 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 115.226 -0.897 . . . . 0.0 110.938 178.584 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 51.6 ttp180 -59.77 -50.29 74.38 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 112.294 0.479 . . . . 0.0 112.294 -176.404 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 40.1 mm-40 -57.71 -36.31 71.83 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.15 -0.932 . . . . 0.0 110.988 -176.798 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -71.97 -48.57 44.11 Favored 'General case' 0 N--CA 1.448 -0.56 0 O-C-N 123.9 0.75 . . . . 0.0 110.233 175.269 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 20.2 mt -63.96 -33.13 75.03 Favored 'General case' 0 N--CA 1.496 1.864 0 CA-C-N 114.88 -1.055 . . . . 0.0 111.785 -175.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -55.23 -46.26 76.0 Favored 'General case' 0 CA--C 1.555 1.143 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 178.029 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -60.28 -35.88 89.37 Favored Glycine 0 CA--C 1.54 1.645 0 CA-C-N 115.969 -0.559 . . . . 0.0 112.006 178.811 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -70.09 -0.07 7.04 Favored 'General case' 0 N--CA 1.479 1.007 0 CA-C-O 121.289 0.566 . . . . 0.0 111.122 -179.249 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 71.4 20.57 78.36 Favored Glycine 0 N--CA 1.469 0.864 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.421 177.656 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -66.97 162.69 21.42 Favored 'General case' 0 N--CA 1.472 0.666 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 58.0 p -91.04 158.6 16.59 Favored 'General case' 0 CA--C 1.503 -0.841 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.231 -176.435 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.49 ' O ' ' HG3' ' A' ' 37' ' ' GLU . 15.4 p-10 -62.9 -45.03 94.43 Favored 'General case' 0 C--O 1.213 -0.841 0 CA-C-N 116.596 -0.275 . . . . 0.0 110.503 -179.662 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.58 -46.49 86.84 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 120.629 -0.428 . . . . 0.0 110.684 -179.159 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 -66.45 -42.19 87.97 Favored 'General case' 0 N--CA 1.478 0.957 0 CA-C-O 120.72 0.295 . . . . 0.0 110.88 -176.678 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 65.2 mt -57.25 -48.02 83.14 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.579 0 N-CA-C 108.709 -0.848 . . . . 0.0 108.709 179.341 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.49 ' HG3' ' O ' ' A' ' 33' ' ' ASP . 96.3 mt-10 -55.29 -45.83 76.2 Favored 'General case' 0 CA--C 1.5 -0.957 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.802 -178.66 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.05 -45.28 94.25 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.426 -179.445 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.6 mp -63.26 -47.54 91.68 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.136 0 C-N-CA 119.282 -0.967 . . . . 0.0 111.348 -174.21 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -67.68 -44.6 77.39 Favored 'General case' 0 CA--C 1.512 -0.516 0 CA-C-O 121.513 0.673 . . . . 0.0 110.756 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 24.3 m -58.31 -46.36 86.29 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-N 114.887 -1.051 . . . . 0.0 111.404 -176.589 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -70.94 -48.69 52.1 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.483 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -72.28 -32.85 66.97 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 119.555 -0.858 . . . . 0.0 110.413 -176.207 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -109.58 111.58 23.15 Favored 'General case' 0 N--CA 1.48 1.055 0 N-CA-C 108.075 -1.083 . . . . 0.0 108.075 179.43 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.448 ' NE2' ' N ' ' A' ' 45' ' ' GLN . 0.8 OUTLIER -63.23 -50.98 68.1 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-O 119.254 -0.403 . . . . 0.0 111.363 -176.628 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 65.3 m-20 -106.36 -2.47 22.16 Favored 'General case' 0 N--CA 1.479 1.009 0 CA-C-N 118.347 0.521 . . . . 0.0 111.054 178.703 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 47.8 27.09 4.51 Favored Glycine 0 N--CA 1.481 1.676 0 C-N-CA 121.432 -0.413 . . . . 0.0 112.476 -178.877 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -117.64 -14.28 10.22 Favored 'General case' 0 N--CA 1.495 1.807 0 C-N-CA 123.52 0.728 . . . . 0.0 112.124 -178.168 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -125.82 171.25 10.84 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 123.17 0.588 . . . . 0.0 109.848 -177.469 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -75.69 147.95 39.01 Favored 'General case' 0 CA--C 1.517 -0.293 0 CA-C-N 115.005 -0.998 . . . . 0.0 108.491 179.493 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 34.3 tp -91.05 122.89 34.09 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-O 121.844 0.831 . . . . 0.0 110.69 -177.489 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.7 t -80.74 178.29 8.47 Favored 'General case' 0 CA--C 1.501 -0.925 0 CA-C-N 114.273 -1.33 . . . . 0.0 109.784 -178.178 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 -73.23 -52.2 14.94 Favored 'General case' 0 C--N 1.306 -1.283 0 CA-C-N 113.195 -1.821 . . . . 0.0 110.867 -177.122 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 58.8 t-80 -55.44 -50.29 70.22 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 120.175 -0.61 . . . . 0.0 109.69 -174.308 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 41.9 tp10 -61.48 -49.6 76.11 Favored 'General case' 0 CA--C 1.537 0.45 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 179.027 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 45.0 t60 -58.67 -54.03 51.64 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.485 -179.44 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -57.38 -36.58 71.43 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 121.024 -0.27 . . . . 0.0 111.006 -178.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 48.9 tt0 -64.73 -54.69 27.47 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 120.84 -0.344 . . . . 0.0 110.559 -178.678 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 34.0 mmt -63.15 -34.7 78.2 Favored 'General case' 0 C--N 1.351 0.644 0 CA-C-O 120.838 0.351 . . . . 0.0 110.371 -179.756 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.444 HH11 ' NH1' ' A' ' 11' ' ' ARG . 60.5 ttp180 -59.86 -48.53 81.32 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.775 -178.305 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 75.0 m-20 -61.75 -37.76 85.44 Favored 'General case' 0 N--CA 1.466 0.374 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -65.7 -40.38 92.22 Favored 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 178.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 6.4 tp -59.8 -49.82 76.21 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.262 -178.908 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.7 tp10 -57.78 -44.67 86.41 Favored 'General case' 0 CA--C 1.549 0.926 0 CA-C-O 120.932 0.396 . . . . 0.0 110.185 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -63.06 -46.52 87.09 Favored 'General case' 0 N--CA 1.479 0.983 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.32 179.279 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 69.0 mt-10 -65.19 -45.91 82.9 Favored 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 179.657 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 73.2 mtt-85 -46.22 -25.78 0.67 Allowed 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 122.281 0.232 . . . . 0.0 111.227 179.572 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 72.2 tt0 . . . . . 0 CA--C 1.541 0.608 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 178.914 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 59.7 m . . . . . 0 N--CA 1.473 0.685 0 CA-C-O 120.261 0.076 . . . . 0.0 110.854 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 76.0 tt0 -71.11 -37.14 72.35 Favored 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 179.464 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 79.3 p -59.89 -51.5 69.42 Favored 'General case' 0 N--CA 1.478 0.93 0 CA-C-N 116.67 -0.241 . . . . 0.0 111.082 -179.335 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 23.1 mt -63.78 -41.28 97.97 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 122.617 0.367 . . . . 0.0 110.766 179.413 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.453 ' O ' ' N ' ' A' ' 13' ' ' GLY . 41.1 ttm180 -60.5 -53.13 61.29 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 116.132 -0.485 . . . . 0.0 109.838 179.836 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 59.07 -74.22 0.02 OUTLIER 'General case' 0 CA--C 1.544 0.749 0 O-C-N 124.436 1.085 . . . . 0.0 110.137 -179.584 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 11' ' ' ARG . . . 116.14 -19.7 13.27 Favored Glycine 0 N--CA 1.48 1.611 0 C-N-CA 124.57 1.081 . . . . 0.0 110.6 178.82 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -69.68 -46.28 54.92 Favored Glycine 0 N--CA 1.47 0.936 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 179.091 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 106.96 -60.34 0.35 Allowed Glycine 0 N--CA 1.482 1.756 0 N-CA-C 110.51 -1.036 . . . . 0.0 110.51 -179.602 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 57.2 mtpt -65.59 129.0 38.22 Favored 'General case' 0 N--CA 1.473 0.715 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.516 HD22 ' HB3' ' A' ' 22' ' ' LEU . 6.5 mt -154.56 133.47 12.29 Favored 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 -178.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.419 ' O ' ' N ' ' A' ' 21' ' ' GLU . 49.6 t30 -119.51 139.18 52.51 Favored 'General case' 0 N--CA 1.447 -0.623 0 C-N-CA 124.484 1.114 . . . . 0.0 108.701 178.885 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 53.8 p90 -31.37 -39.46 0.03 OUTLIER 'General case' 0 C--O 1.206 -1.197 0 C-N-CA 124.02 0.928 . . . . 0.0 112.309 -177.258 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -72.68 -45.53 58.39 Favored 'General case' 0 N--CA 1.481 1.123 0 CA-C-O 121.042 0.449 . . . . 0.0 111.687 178.815 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.419 ' N ' ' O ' ' A' ' 18' ' ' ASN . 62.0 mm-40 -59.67 -47.21 86.53 Favored 'General case' 0 N--CA 1.486 1.33 0 N-CA-C 113.03 0.752 . . . . 0.0 113.03 -176.921 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.547 HD12 ' N ' ' A' ' 23' ' ' ARG . 2.7 pp -75.63 -46.87 29.1 Favored 'General case' 0 CA--C 1.549 0.91 0 CA-C-N 115.549 -0.751 . . . . 0.0 111.75 178.209 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.547 ' N ' HD12 ' A' ' 22' ' ' LEU . 2.6 tmt_? -59.89 -50.37 74.04 Favored 'General case' 0 N--CA 1.486 1.374 0 CA-C-O 120.907 0.384 . . . . 0.0 111.718 -176.487 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 20.0 mm-40 -59.11 -34.79 72.43 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.958 -178.067 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -70.8 -47.75 57.82 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 109.271 -0.641 . . . . 0.0 109.271 176.075 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 55.2 mt -61.51 -32.28 72.32 Favored 'General case' 0 N--CA 1.497 1.9 0 CA-C-N 115.485 -0.78 . . . . 0.0 112.007 -177.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.6 ttpp -55.19 -45.33 75.84 Favored 'General case' 0 CA--C 1.557 1.212 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 178.319 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -60.83 -35.17 89.65 Favored Glycine 0 CA--C 1.538 1.494 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.885 179.17 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -70.41 -0.05 7.52 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 123.008 0.523 . . . . 0.0 111.235 -179.337 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 71.71 19.91 78.29 Favored Glycine 0 N--CA 1.468 0.806 0 CA-C-N 115.397 -0.82 . . . . 0.0 111.676 177.858 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -66.4 162.32 20.71 Favored 'General case' 0 N--CA 1.475 0.818 0 CA-C-N 117.652 0.726 . . . . 0.0 109.826 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 57.8 p -91.51 162.31 14.6 Favored 'General case' 0 CA--C 1.507 -0.708 0 CA-C-N 115.238 -0.892 . . . . 0.0 109.767 -176.206 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -61.21 -42.05 97.91 Favored 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 109.724 -0.472 . . . . 0.0 109.724 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.28 -47.03 86.91 Favored 'General case' 0 C--N 1.352 0.684 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 74.3 mt-10 -67.77 -48.07 67.41 Favored 'General case' 0 N--CA 1.473 0.691 0 O-C-N 121.584 -0.697 . . . . 0.0 110.174 -178.158 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 83.8 mt -58.46 -50.71 77.84 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.942 0 CA-C-N 115.571 -0.74 . . . . 0.0 111.073 -177.373 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -63.38 -43.53 97.32 Favored 'General case' 0 C--N 1.355 0.81 0 CA-C-O 121.377 0.608 . . . . 0.0 111.604 -177.515 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.66 -45.14 91.48 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 115.196 -0.911 . . . . 0.0 111.708 -179.009 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.2 mp -61.79 -46.9 95.53 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.998 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.953 -174.217 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.463 ' CB ' HD11 ' A' ' 22' ' ' LEU . 0.4 OUTLIER -67.97 -43.5 78.85 Favored 'General case' 0 CA--C 1.509 -0.602 0 CA-C-O 122.056 0.931 . . . . 0.0 110.359 -179.777 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 23.9 m -60.27 -45.58 92.79 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-N 113.682 -1.599 . . . . 0.0 111.29 -176.703 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -67.38 -49.89 61.97 Favored 'General case' 0 N--CA 1.443 -0.806 0 C-N-CA 119.955 -0.698 . . . . 0.0 110.729 -178.187 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.792 ' O ' HD11 ' A' ' 51' ' ' LEU . 8.8 m-85 -73.67 -31.52 63.5 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 120.986 -0.286 . . . . 0.0 110.969 -177.876 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -109.02 103.75 12.83 Favored 'General case' 0 N--CA 1.486 1.358 0 N-CA-C 107.46 -1.311 . . . . 0.0 107.46 179.125 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -59.35 -50.29 74.55 Favored 'General case' 0 CA--C 1.549 0.928 0 CA-C-N 115.728 -0.669 . . . . 0.0 112.133 -175.755 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -104.72 -0.32 27.52 Favored 'General case' 0 N--CA 1.489 1.491 0 CA-C-N 119.044 0.838 . . . . 0.0 111.751 -179.109 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.58 20.29 59.04 Favored Glycine 0 N--CA 1.471 0.993 0 N-CA-C 112.188 -0.365 . . . . 0.0 112.188 -177.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -120.54 -12.97 8.84 Favored 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 123.825 0.85 . . . . 0.0 111.811 178.418 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -109.47 140.67 42.93 Favored 'General case' 0 N--CA 1.491 1.587 0 CA-C-O 121.277 0.56 . . . . 0.0 112.288 -175.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -76.05 148.59 37.87 Favored 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 124.785 1.234 . . . . 0.0 108.059 177.519 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.792 HD11 ' O ' ' A' ' 43' ' ' TYR . 4.5 mm? -90.42 118.11 29.65 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-O 121.945 0.878 . . . . 0.0 110.163 -176.75 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.3 t -80.18 -178.34 6.52 Favored 'General case' 0 CA--C 1.487 -1.458 0 CA-C-N 114.454 -1.248 . . . . 0.0 108.481 -176.501 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 72.7 mt-10 -61.52 -62.44 1.81 Allowed 'General case' 0 C--N 1.308 -1.205 0 CA-C-N 114.277 -1.328 . . . . 0.0 111.37 -177.872 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 82.7 t60 -55.35 -50.33 69.95 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 119.91 -0.716 . . . . 0.0 110.783 -174.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 40.7 tp10 -61.54 -45.25 94.95 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 118.326 0.512 . . . . 0.0 110.58 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 54.1 t-80 -63.57 -47.57 80.96 Favored 'General case' 0 CA--C 1.545 0.775 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.638 178.886 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -64.61 -34.93 79.42 Favored 'General case' 0 CA--C 1.56 1.344 0 O-C-N 121.629 -0.669 . . . . 0.0 111.173 -179.778 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 72.3 mt-30 -63.13 -55.04 28.64 Favored 'General case' 0 N--CA 1.49 1.542 0 CA-C-N 118.338 0.517 . . . . 0.0 111.295 -179.091 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.72 -34.47 77.24 Favored 'General case' 0 C--N 1.351 0.672 0 O-C-N 122.039 -0.413 . . . . 0.0 110.424 -179.82 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 58.7 ttp180 -58.7 -48.02 82.55 Favored 'General case' 0 C--N 1.359 0.988 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 -178.61 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -60.09 -36.05 76.56 Favored 'General case' 0 C--N 1.341 0.211 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 179.374 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -69.66 -39.2 77.19 Favored 'General case' 0 C--N 1.35 0.609 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.321 179.602 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.3 tp -59.07 -50.29 74.65 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.808 -179.198 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 41.1 tp10 -58.75 -45.38 89.85 Favored 'General case' 0 CA--C 1.549 0.916 0 CA-C-O 120.595 0.236 . . . . 0.0 110.619 -179.791 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -63.8 -45.67 88.6 Favored 'General case' 0 N--CA 1.476 0.867 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.796 179.226 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 62.7 mm-40 -65.16 -50.76 64.74 Favored 'General case' 0 N--CA 1.476 0.827 0 N-CA-C 109.894 -0.41 . . . . 0.0 109.894 -179.682 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 64.9 mtp85 -52.16 -42.89 63.78 Favored 'General case' 0 N--CA 1.477 0.918 0 CA-C-N 116.958 -0.11 . . . . 0.0 110.744 179.757 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 . . . . . 0 N--CA 1.48 1.056 0 N-CA-C 110.076 -0.342 . . . . 0.0 110.076 179.0 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 68.1 m . . . . . 0 N--CA 1.474 0.726 0 CA-C-O 120.632 0.253 . . . . 0.0 110.717 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 78.8 tt0 -69.16 -39.69 78.63 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.996 179.352 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 47.4 t -61.27 -45.79 93.05 Favored 'General case' 0 N--CA 1.477 0.903 0 CA-C-O 120.782 0.325 . . . . 0.0 111.225 -179.309 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 33.4 mt -62.3 -43.8 97.99 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.012 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.532 ' O ' ' N ' ' A' ' 13' ' ' GLY . 70.8 ttt-85 -72.01 -55.0 8.19 Favored 'General case' 0 C--O 1.216 -0.658 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 -179.587 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 9.8 tp-100 51.39 -77.46 0.01 OUTLIER 'General case' 0 CA--C 1.553 1.095 0 CA-C-N 115.921 -0.582 . . . . 0.0 111.065 -179.119 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.532 ' N ' ' O ' ' A' ' 11' ' ' ARG . . . 87.4 17.14 59.3 Favored Glycine 0 N--CA 1.472 1.043 0 N-CA-C 110.416 -1.074 . . . . 0.0 110.416 179.704 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -74.3 -23.49 75.6 Favored Glycine 0 N--CA 1.474 1.169 0 N-CA-C 111.156 -0.777 . . . . 0.0 111.156 179.536 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 93.48 -73.02 1.26 Allowed Glycine 0 N--CA 1.477 1.381 0 N-CA-C 110.604 -0.998 . . . . 0.0 110.604 -179.561 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 28.7 mtmm -71.85 116.58 12.41 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 179.581 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.504 HD22 ' CD2' ' A' ' 22' ' ' LEU . 9.4 mt -153.05 134.51 14.36 Favored 'General case' 0 C--O 1.213 -0.85 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 -177.686 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.437 ' O ' ' N ' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -133.7 142.97 48.23 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 106.994 -1.484 . . . . 0.0 106.994 179.652 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 49.0 p90 -33.36 -31.31 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 124.119 0.968 . . . . 0.0 113.221 -179.55 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -72.47 -44.88 61.7 Favored 'General case' 0 C--O 1.214 -0.765 0 N-CA-C 109.06 -0.718 . . . . 0.0 109.06 -178.7 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 18' ' ' ASN . 71.8 mm-40 -59.12 -40.39 85.24 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 115.119 -0.946 . . . . 0.0 109.343 -179.581 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.504 ' CD2' HD22 ' A' ' 17' ' ' LEU . 66.5 mt -74.29 -47.67 33.31 Favored 'General case' 0 CA--C 1.498 -1.041 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.481 178.18 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 32.0 ttm180 -62.79 -53.83 48.25 Favored 'General case' 0 C--N 1.317 -0.813 0 C-N-CA 119.444 -0.902 . . . . 0.0 110.952 -177.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -60.29 -39.65 87.65 Favored 'General case' 0 CA--C 1.501 -0.924 0 CA-C-N 115.094 -0.957 . . . . 0.0 112.001 -176.329 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -71.23 -48.71 49.65 Favored 'General case' 0 N--CA 1.444 -0.745 0 CA-C-O 121.298 0.57 . . . . 0.0 110.332 176.086 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 44.1 mt -64.4 -32.14 73.64 Favored 'General case' 0 N--CA 1.497 1.886 0 CA-C-N 114.597 -1.183 . . . . 0.0 112.221 -176.597 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.8 ttpt -55.3 -44.62 75.92 Favored 'General case' 0 CA--C 1.562 1.441 0 C-N-CA 119.785 -0.766 . . . . 0.0 110.031 178.025 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -61.18 -30.82 74.84 Favored Glycine 0 CA--C 1.536 1.4 0 CA-C-N 116.18 -0.464 . . . . 0.0 112.436 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -70.79 3.23 3.38 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 122.955 0.502 . . . . 0.0 111.643 -178.419 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 71.23 19.1 77.17 Favored Glycine 0 N--CA 1.468 0.822 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 177.109 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -69.97 162.18 28.59 Favored 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 179.632 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 71.8 p -88.79 158.39 18.17 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.536 -176.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -59.51 -44.65 93.09 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 116.727 -0.215 . . . . 0.0 110.593 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.01 -46.41 88.27 Favored 'General case' 0 N--CA 1.473 0.72 0 O-C-N 123.762 0.664 . . . . 0.0 110.021 -179.71 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 69.8 mm-40 -70.02 -43.83 70.53 Favored 'General case' 0 N--CA 1.467 0.382 0 O-C-N 121.666 -0.646 . . . . 0.0 110.767 -177.717 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 85.3 mt -60.52 -50.6 79.74 Favored 'Isoleucine or valine' 0 C--O 1.243 0.734 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.153 -177.905 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.419 ' O ' ' CD2' ' A' ' 40' ' ' PHE . 11.2 pt-20 -62.73 -42.45 99.67 Favored 'General case' 0 C--N 1.349 0.575 0 CA-C-O 121.766 0.794 . . . . 0.0 111.527 -176.588 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.61 -43.44 93.76 Favored 'General case' 0 C--O 1.222 -0.356 0 CA-C-N 114.69 -1.141 . . . . 0.0 111.367 -178.762 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.1 mp -61.74 -46.85 95.64 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.079 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.595 -173.138 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.419 ' CD2' ' O ' ' A' ' 37' ' ' GLU . 0.5 OUTLIER -66.98 -39.99 87.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.981 0.896 . . . . 0.0 110.39 -178.933 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 52.6 m -59.99 -44.21 94.67 Favored 'General case' 0 CA--C 1.513 -0.45 0 CA-C-N 113.641 -1.618 . . . . 0.0 111.692 -176.036 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -67.68 -49.11 64.45 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 120.281 -0.567 . . . . 0.0 110.197 -179.383 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.44 ' CD1' ' SD ' ' A' ' 59' ' ' MET . 14.6 m-85 -72.55 -32.2 65.89 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 119.971 -0.692 . . . . 0.0 111.408 -177.193 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -106.49 108.18 19.56 Favored 'General case' 0 N--CA 1.481 1.116 0 N-CA-C 106.796 -1.557 . . . . 0.0 106.796 178.523 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -60.95 -51.48 69.09 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 112.326 0.491 . . . . 0.0 112.326 -175.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 59.9 m-20 -106.28 -2.31 22.49 Favored 'General case' 0 N--CA 1.477 0.915 0 CA-C-N 118.805 0.729 . . . . 0.0 110.665 178.505 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 53.02 25.54 24.54 Favored Glycine 0 N--CA 1.481 1.691 0 C-N-CA 120.977 -0.63 . . . . 0.0 111.751 -178.679 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 64.2 m-20 -117.7 -12.56 10.26 Favored 'General case' 0 N--CA 1.492 1.637 0 C-N-CA 123.479 0.712 . . . . 0.0 111.98 -178.308 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.1 pm0 -125.81 163.53 22.69 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 123.66 0.784 . . . . 0.0 110.461 -178.24 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 73.4 mt-10 -76.1 148.5 37.84 Favored 'General case' 0 N--CA 1.444 -0.731 0 CA-C-N 114.48 -1.236 . . . . 0.0 108.368 178.745 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 32.1 tp -91.03 120.44 32.02 Favored 'General case' 0 CA--C 1.536 0.415 0 O-C-N 123.616 0.572 . . . . 0.0 109.561 -177.486 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.4 t -79.5 -179.73 7.0 Favored 'General case' 0 CA--C 1.481 -1.688 0 CA-C-N 115.063 -0.971 . . . . 0.0 109.316 -177.169 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.496 ' O ' ' NE2' ' A' ' 57' ' ' GLN . 62.0 mt-10 -73.88 -54.04 8.85 Favored 'General case' 0 N--CA 1.428 -1.548 0 CA-C-N 113.225 -1.807 . . . . 0.0 110.231 -176.454 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -53.29 -49.89 66.04 Favored 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 120.23 -0.588 . . . . 0.0 109.672 -174.659 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 39.8 tp10 -62.21 -44.13 97.26 Favored 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 178.466 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.424 ' NE2' ' O ' ' A' ' 11' ' ' ARG . 29.1 t-80 -59.31 -49.25 78.56 Favored 'General case' 0 C--N 1.355 0.828 0 O-C-N 123.526 0.516 . . . . 0.0 110.067 -179.741 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.496 ' NE2' ' O ' ' A' ' 53' ' ' GLU . 1.4 mp0 -57.75 -34.48 69.58 Favored 'General case' 0 N--CA 1.481 1.078 0 O-C-N 121.808 -0.557 . . . . 0.0 111.342 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 55.6 tt0 -64.67 -55.7 18.47 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 120.543 -0.463 . . . . 0.0 110.873 -178.261 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.44 ' SD ' ' CD1' ' A' ' 43' ' ' TYR . 11.8 ptm -59.11 -35.09 72.83 Favored 'General case' 0 C--N 1.348 0.525 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 179.3 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 58.5 ttp180 -58.51 -48.75 79.8 Favored 'General case' 0 C--N 1.362 1.126 0 C-N-CA 120.181 -0.608 . . . . 0.0 109.73 -175.848 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 74.0 m-20 -60.62 -35.5 76.32 Favored 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 179.385 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 51.3 m-20 -69.93 -36.66 75.5 Favored 'General case' 0 C--N 1.346 0.456 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 179.209 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 6.9 tp -60.56 -49.04 79.14 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.218 -179.096 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 90.9 mt-10 -57.73 -44.12 85.78 Favored 'General case' 0 CA--C 1.547 0.854 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 178.707 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -60.57 -43.32 97.43 Favored 'General case' 0 N--CA 1.483 1.19 0 CA-C-O 120.877 0.37 . . . . 0.0 110.949 179.597 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 65.6 mt-10 -58.31 -34.82 70.99 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 51.3 ttt85 -53.66 -43.17 68.62 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.339 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 . . . . . 0 N--CA 1.471 0.62 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.696 179.362 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 88.6 p . . . . . 0 N--CA 1.475 0.78 0 N-CA-C 110.717 -0.105 . . . . 0.0 110.717 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 42.3 tp10 -60.95 -40.18 92.33 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 110.169 -0.308 . . . . 0.0 110.169 -178.609 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 49.5 m -58.47 -50.03 75.22 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-O 120.933 0.397 . . . . 0.0 110.193 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 77.8 mt -65.55 -38.05 88.45 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.344 178.753 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 34.9 ttm180 -58.23 -26.03 62.4 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.268 -179.19 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 68.4 tp60 -45.95 -66.57 0.38 Allowed 'General case' 0 CA--C 1.543 0.68 0 O-C-N 123.556 0.535 . . . . 0.0 110.77 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 65.66 18.33 65.85 Favored Glycine 0 C--N 1.339 0.698 0 N-CA-C 110.682 -0.967 . . . . 0.0 110.682 178.604 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -53.58 -12.69 2.51 Favored Glycine 0 CA--C 1.531 1.032 0 N-CA-C 111.974 -0.45 . . . . 0.0 111.974 -179.71 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 99.74 -72.75 0.48 Allowed Glycine 0 N--CA 1.475 1.261 0 N-CA-C 110.54 -1.024 . . . . 0.0 110.54 179.425 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 60.1 mmtt -72.44 107.81 5.19 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 179.44 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.549 HD22 HD21 ' A' ' 22' ' ' LEU . 12.8 mt -149.69 134.18 17.5 Favored 'General case' 0 C--O 1.22 -0.469 0 O-C-N 124.039 0.837 . . . . 0.0 109.14 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.483 ' ND2' ' CD2' ' A' ' 19' ' ' PHE . 23.4 t-20 -133.07 142.96 49.03 Favored 'General case' 0 C--O 1.218 -0.562 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 178.221 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.483 ' CD2' ' ND2' ' A' ' 18' ' ' ASN . 47.6 p90 -33.59 -30.67 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 123.896 0.878 . . . . 0.0 113.071 -179.132 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -72.31 -45.67 58.98 Favored 'General case' 0 C--O 1.211 -0.938 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.504 -179.539 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 18' ' ' ASN . 69.7 mm-40 -59.29 -37.84 78.69 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 115.648 -0.706 . . . . 0.0 109.385 -179.687 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.549 HD21 HD22 ' A' ' 17' ' ' LEU . 64.4 mt -74.91 -48.54 24.11 Favored 'General case' 0 CA--C 1.498 -1.054 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.394 178.003 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 37.1 ttp180 -61.33 -52.18 65.76 Favored 'General case' 0 C--N 1.315 -0.915 0 C-N-CA 119.843 -0.743 . . . . 0.0 111.021 -179.094 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 45.4 mm-40 -58.03 -39.26 77.94 Favored 'General case' 0 CA--C 1.501 -0.91 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.681 -176.835 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -72.37 -49.02 37.11 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-O 121.015 0.435 . . . . 0.0 111.078 175.175 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 46.0 mt -63.7 -31.98 73.33 Favored 'General case' 0 N--CA 1.497 1.92 0 CA-C-N 115.082 -0.963 . . . . 0.0 112.028 -177.116 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.5 ttpt -54.79 -44.81 74.07 Favored 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 120.045 -0.662 . . . . 0.0 109.962 178.503 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -63.01 -33.26 86.75 Favored Glycine 0 N--CA 1.472 1.037 0 N-CA-C 111.804 -0.519 . . . . 0.0 111.804 179.738 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -70.29 3.47 2.88 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 122.813 0.445 . . . . 0.0 111.599 -178.891 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 70.8 19.35 76.72 Favored Glycine 0 N--CA 1.467 0.707 0 N-CA-C 110.799 -0.92 . . . . 0.0 110.799 176.722 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -68.27 162.32 25.35 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 69.9 p -91.1 159.02 16.32 Favored 'General case' 0 CA--C 1.506 -0.727 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.814 -177.52 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 17.6 p-10 -60.79 -44.44 96.82 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.427 179.798 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.08 -46.66 87.7 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 123.789 0.68 . . . . 0.0 109.85 -178.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.403 ' O ' HD13 ' A' ' 39' ' ' ILE . 67.8 mm-40 -68.48 -42.44 78.68 Favored 'General case' 0 N--CA 1.469 0.501 0 O-C-N 121.72 -0.613 . . . . 0.0 110.58 -178.17 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 51.9 mt -59.9 -50.83 78.6 Favored 'Isoleucine or valine' 0 C--O 1.239 0.517 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.107 -178.037 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -63.72 -41.78 98.02 Favored 'General case' 0 C--N 1.346 0.427 0 CA-C-O 121.482 0.658 . . . . 0.0 111.933 -176.094 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.31 -45.66 83.44 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 114.883 -1.053 . . . . 0.0 111.795 -177.48 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.403 HD13 ' O ' ' A' ' 35' ' ' GLU . 1.3 mp -62.24 -46.87 95.43 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.477 0 C-N-CA 119.948 -0.701 . . . . 0.0 111.29 -173.794 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -66.91 -41.39 87.17 Favored 'General case' 0 C--O 1.212 -0.912 0 CA-C-O 121.612 0.72 . . . . 0.0 109.864 -178.682 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 7.1 m -58.26 -41.9 85.25 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 114.498 -1.228 . . . . 0.0 110.406 -175.467 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 26.0 mmtp -67.31 -48.86 66.36 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.097 -179.282 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 -72.14 -32.19 66.69 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 119.892 -0.723 . . . . 0.0 109.949 -177.603 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -108.4 108.17 19.03 Favored 'General case' 0 N--CA 1.486 1.374 0 N-CA-C 109.894 -0.41 . . . . 0.0 109.894 -179.419 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.484 ' NE2' ' N ' ' A' ' 45' ' ' GLN . 1.1 mp0 -63.22 -50.6 69.59 Favored 'General case' 0 C--O 1.238 0.497 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.611 -177.237 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 61.9 m-20 -105.04 -2.04 24.92 Favored 'General case' 0 N--CA 1.478 0.973 0 CA-C-N 118.301 0.5 . . . . 0.0 111.559 -179.558 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 51.37 22.67 7.71 Favored Glycine 0 N--CA 1.476 1.362 0 C-N-CA 121.067 -0.587 . . . . 0.0 112.645 -179.681 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -118.15 -14.35 9.9 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 122.788 0.435 . . . . 0.0 111.747 -178.325 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -122.77 167.97 12.83 Favored 'General case' 0 N--CA 1.477 0.904 0 CA-C-O 121.557 0.694 . . . . 0.0 110.56 -177.802 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -75.4 149.83 38.49 Favored 'General case' 0 CA--C 1.519 -0.212 0 C-N-CA 125.018 1.327 . . . . 0.0 109.496 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 95.7 mt -88.9 120.16 30.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.662 0.744 . . . . 0.0 110.936 -176.036 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.492 HG22 ' N ' ' A' ' 53' ' ' GLU . 63.8 m -79.12 168.62 19.37 Favored 'General case' 0 N--CA 1.438 -1.042 0 CA-C-N 114.241 -1.345 . . . . 0.0 107.986 -177.363 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.492 ' N ' HG22 ' A' ' 52' ' ' THR . 87.6 mt-10 -70.04 -52.05 27.15 Favored 'General case' 0 C--O 1.208 -1.125 0 CA-C-N 113.751 -1.568 . . . . 0.0 110.324 -178.776 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -54.13 -50.26 67.32 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 119.889 -0.725 . . . . 0.0 109.678 -173.647 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 44.0 tp10 -62.68 -51.52 66.89 Favored 'General case' 0 C--O 1.222 -0.352 0 CA-C-O 120.769 0.319 . . . . 0.0 110.292 178.644 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 36.7 t-80 -58.36 -51.75 68.48 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.503 -178.192 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -58.08 -34.56 70.28 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 121.064 -0.254 . . . . 0.0 111.239 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 48.4 tt0 -66.89 -54.37 22.92 Favored 'General case' 0 CA--C 1.538 0.515 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 -179.557 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 36.0 mmt -62.4 -34.72 77.28 Favored 'General case' 0 C--N 1.351 0.645 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 179.638 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 72.4 ttt180 -58.48 -48.1 81.89 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 119.542 -0.863 . . . . 0.0 110.091 -178.245 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -60.07 -41.93 93.44 Favored 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 179.422 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -62.8 -39.37 94.06 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 115.422 -0.808 . . . . 0.0 109.382 178.346 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.75 -47.61 84.45 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.453 -177.914 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.431 ' HA ' ' HE ' ' A' ' 67' ' ' ARG . 75.3 tt0 -57.32 -43.8 83.61 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-O 121.11 0.481 . . . . 0.0 110.088 -179.84 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -62.52 -41.82 99.11 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.469 179.38 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 91.3 mt-10 -62.57 -48.48 79.3 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 110.129 -0.322 . . . . 0.0 110.129 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.431 ' HE ' ' HA ' ' A' ' 64' ' ' GLU . 86.0 mtm180 -53.61 -42.52 67.8 Favored 'General case' 0 N--CA 1.475 0.797 0 O-C-N 123.036 0.21 . . . . 0.0 110.785 -179.096 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 74.3 tt0 . . . . . 0 CA--C 1.541 0.61 0 C-N-CA 120.893 -0.323 . . . . 0.0 110.408 -179.886 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 51.9 t30 . . . . . 0 N--CA 1.488 1.433 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 20.1 m -61.51 -46.4 90.15 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.82 -179.51 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 27.0 m -60.96 -24.7 33.68 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.46 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.223 179.634 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 16.4 t70 55.12 90.83 0.03 OUTLIER 'General case' 0 CA--C 1.54 0.596 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.692 -179.213 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -68.57 89.63 0.37 Allowed 'General case' 0 N--CA 1.469 0.523 0 CA-C-O 121.026 0.441 . . . . 0.0 110.082 -179.014 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 18.0 tt -64.24 -22.03 30.27 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.32 179.615 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 36.2 t -50.48 -23.03 2.19 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.431 -179.597 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 74.5 mm-40 -67.45 -46.67 72.38 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 115.969 -0.559 . . . . 0.0 109.912 178.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 85.3 p -62.4 -42.56 99.52 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-O 120.99 0.424 . . . . 0.0 110.692 179.582 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 45.1 mt -65.18 -37.4 87.22 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.697 -179.129 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 79.6 ttt180 -59.27 -44.01 92.47 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 116.125 -0.488 . . . . 0.0 109.974 -179.63 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 98.2 mm-40 -58.78 152.49 18.92 Favored 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 179.324 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 144.62 18.95 0.19 Allowed Glycine 0 N--CA 1.475 1.28 0 N-CA-C 110.391 -1.084 . . . . 0.0 110.391 -178.379 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -67.13 59.35 0.24 Allowed Glycine 0 N--CA 1.472 1.088 0 N-CA-C 111.357 -0.697 . . . . 0.0 111.357 -179.482 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 63.65 -73.36 0.04 OUTLIER Glycine 0 C--N 1.337 0.637 0 N-CA-C 111.597 -0.601 . . . . 0.0 111.597 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 56.7 mtpt -82.58 107.57 15.32 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.9 tp -150.46 136.5 18.5 Favored 'General case' 0 C--O 1.224 -0.285 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 178.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 -149.43 156.45 42.04 Favored 'General case' 0 CA--C 1.511 -0.553 0 N-CA-C 108.385 -0.968 . . . . 0.0 108.385 -179.694 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 44.0 p90 -31.27 -36.2 0.01 OUTLIER 'General case' 0 C--O 1.206 -1.192 0 O-C-N 124.945 1.403 . . . . 0.0 112.593 -177.358 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -71.71 -45.87 60.44 Favored 'General case' 0 N--CA 1.482 1.134 0 CA-C-O 121.719 0.771 . . . . 0.0 112.579 179.457 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 65.4 mm-40 -61.51 -45.93 92.13 Favored 'General case' 0 N--CA 1.483 1.223 0 N-CA-C 112.543 0.571 . . . . 0.0 112.543 -177.431 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.401 HD12 ' N ' ' A' ' 23' ' ' ARG . 2.6 pp -76.5 -46.89 24.72 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 115.233 -0.894 . . . . 0.0 112.406 178.162 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.401 ' N ' HD12 ' A' ' 22' ' ' LEU . 3.9 tmm_? -60.4 -49.41 77.7 Favored 'General case' 0 N--CA 1.495 1.797 0 C-N-CA 120.619 -0.432 . . . . 0.0 111.678 -175.695 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -59.17 -34.61 72.32 Favored 'General case' 0 CA--C 1.504 -0.793 0 CA-C-N 116.192 -0.458 . . . . 0.0 112.131 -178.63 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -71.49 -47.83 53.01 Favored 'General case' 0 N--CA 1.447 -0.595 0 CA-C-O 121.621 0.724 . . . . 0.0 110.409 176.375 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 60.7 mt -63.82 -31.8 73.09 Favored 'General case' 0 N--CA 1.498 1.973 0 CA-C-N 114.971 -1.013 . . . . 0.0 111.899 -176.784 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.4 ttpt -55.12 -43.88 74.51 Favored 'General case' 0 CA--C 1.549 0.933 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.786 178.734 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -63.2 -34.76 90.84 Favored Glycine 0 N--CA 1.474 1.207 0 N-CA-C 111.274 -0.73 . . . . 0.0 111.274 179.441 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -70.69 2.48 4.09 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 122.962 0.505 . . . . 0.0 111.517 -179.135 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 72.15 19.7 78.69 Favored Glycine 0 N--CA 1.46 0.272 0 CA-C-N 115.703 -0.681 . . . . 0.0 111.639 177.283 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -66.82 162.35 21.77 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 117.964 0.882 . . . . 0.0 110.181 -179.732 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 72.9 p -90.99 158.51 16.66 Favored 'General case' 0 CA--C 1.502 -0.89 0 CA-C-N 115.716 -0.675 . . . . 0.0 109.516 -176.398 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.457 ' O ' ' HG3' ' A' ' 37' ' ' GLU . 72.2 m-20 -63.29 -44.92 93.66 Favored 'General case' 0 C--O 1.212 -0.897 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 -179.825 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.18 -46.15 86.28 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 120.43 -0.508 . . . . 0.0 110.453 -179.134 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 65.2 mm-40 -65.64 -46.16 80.24 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-O 121.366 0.603 . . . . 0.0 110.475 -177.266 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 64.7 mt -56.85 -48.58 81.03 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.856 0 CA-C-N 114.673 -1.148 . . . . 0.0 108.65 -179.037 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.457 ' HG3' ' O ' ' A' ' 33' ' ' ASP . 77.1 mt-10 -59.56 -48.6 81.04 Favored 'General case' 0 CA--C 1.501 -0.916 0 C-N-CA 122.945 0.498 . . . . 0.0 111.592 -179.482 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.6 -44.78 95.44 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.964 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.4 mp -62.32 -47.86 91.05 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.946 0 C-N-CA 118.923 -1.111 . . . . 0.0 112.752 -174.676 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -67.74 -43.78 79.09 Favored 'General case' 0 CA--C 1.501 -0.936 0 CA-C-O 121.393 0.615 . . . . 0.0 110.198 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 26.9 m -58.02 -44.98 87.63 Favored 'General case' 0 C--N 1.347 0.471 0 CA-C-N 114.385 -1.279 . . . . 0.0 111.357 -176.81 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -64.78 -50.25 67.51 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 120.652 -0.419 . . . . 0.0 110.542 -179.667 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 36.6 m-85 -72.06 -33.01 67.6 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 119.022 -1.071 . . . . 0.0 110.175 -178.455 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -103.17 100.53 10.45 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 122.742 0.417 . . . . 0.0 110.439 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 34.6 mm-40 -63.24 -52.33 62.57 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-O 118.778 -0.63 . . . . 0.0 111.601 -176.525 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -106.94 -2.77 20.9 Favored 'General case' 0 C--N 1.364 1.237 0 CA-C-N 119.343 0.974 . . . . 0.0 111.611 177.817 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 39.91 42.8 2.3 Favored Glycine 0 N--CA 1.496 2.692 0 CA-C-N 117.717 0.235 . . . . 0.0 113.602 -178.774 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -115.57 -23.4 8.78 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 123.484 0.714 . . . . 0.0 111.627 -178.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -127.88 174.51 9.09 Favored 'General case' 0 N--CA 1.486 1.328 0 CA-C-O 121.441 0.639 . . . . 0.0 110.731 -178.352 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 19.8 mp0 -76.18 147.3 38.54 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 114.799 -1.091 . . . . 0.0 109.377 179.611 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -91.67 118.91 31.07 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.592 -177.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.0 t -79.75 -178.48 6.42 Favored 'General case' 0 N--CA 1.426 -1.668 0 CA-C-N 114.437 -1.256 . . . . 0.0 108.437 -175.772 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 92.3 mt-10 -69.44 -58.51 3.9 Favored 'General case' 0 C--N 1.299 -1.593 0 CA-C-N 113.058 -1.883 . . . . 0.0 111.633 -178.133 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 94.5 m-70 -56.88 -50.71 71.68 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 120.319 -0.553 . . . . 0.0 110.901 -174.503 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -60.22 -50.76 72.4 Favored 'General case' 0 C--N 1.343 0.296 0 CA-C-N 118.731 0.696 . . . . 0.0 110.608 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 55.3 t-80 -62.67 -50.54 70.78 Favored 'General case' 0 CA--C 1.549 0.942 0 CA-C-O 119.367 -0.349 . . . . 0.0 111.908 -179.471 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -62.53 -40.5 96.97 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-N 118.312 0.506 . . . . 0.0 111.479 -179.212 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 46.2 tt0 -59.4 -54.6 44.85 Favored 'General case' 0 N--CA 1.481 1.083 0 CA-C-N 118.086 0.403 . . . . 0.0 110.735 -177.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 36.4 mmt -62.1 -38.89 90.58 Favored 'General case' 0 C--N 1.348 0.515 0 O-C-N 122.445 -0.16 . . . . 0.0 110.677 -179.406 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 71.3 ttp85 -58.81 -48.2 82.12 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.466 -176.697 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 77.5 m-20 -62.83 -43.31 99.14 Favored 'General case' 0 CA--C 1.531 0.216 0 N-CA-C 109.897 -0.408 . . . . 0.0 109.897 179.071 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 56.2 m-20 -63.2 -47.04 84.25 Favored 'General case' 0 CA--C 1.545 0.775 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.587 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -64.28 -46.08 85.22 Favored 'General case' 0 N--CA 1.476 0.863 0 O-C-N 122.311 -0.243 . . . . 0.0 110.677 179.623 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 75.8 tt0 -58.26 -47.91 82.09 Favored 'General case' 0 C--N 1.348 0.539 0 C-N-CA 120.517 -0.473 . . . . 0.0 110.379 179.481 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 33.7 mmtm -60.85 -38.25 84.91 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 122.683 0.393 . . . . 0.0 111.662 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 90.4 mt-10 -70.81 -43.12 69.29 Favored 'General case' 0 N--CA 1.475 0.788 0 O-C-N 123.44 0.462 . . . . 0.0 109.875 178.36 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -55.01 -45.11 75.09 Favored 'General case' 0 N--CA 1.477 0.898 0 CA-C-O 120.698 0.285 . . . . 0.0 111.0 -179.27 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -65.68 -62.41 1.53 Allowed 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 179.102 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -51.59 -42.54 62.01 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.643 -178.652 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 60.6 tp -59.35 -43.8 92.75 Favored 'General case' 0 N--CA 1.479 0.996 0 CA-C-N 116.664 -0.244 . . . . 0.0 110.76 -179.526 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 76.3 m-20 -72.8 -62.69 1.37 Allowed 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 -179.6 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 79.3 mt -60.55 92.33 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.519 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 37.1 p-10 -60.32 155.85 16.97 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.194 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -63.69 -34.08 77.07 Favored 'General case' 0 N--CA 1.473 0.725 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.19 -179.571 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 50.2 m -160.74 167.57 26.58 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.937 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 60.2 m -59.54 -37.01 77.25 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.906 179.387 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 10.9 mp -67.59 152.81 95.93 Favored Pre-proline 0 CA--C 1.556 1.194 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.299 -178.827 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_exo . . . . . 0 N--CA 1.517 2.878 0 C-N-CA 122.826 2.351 . . . . 0.0 113.68 177.998 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 21.8 m120 . . . . . 0 N--CA 1.487 1.411 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.8 t -63.29 -22.29 66.78 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.523 179.607 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 27.1 m -59.85 -29.16 42.52 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.475 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.48 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 42.51 44.71 3.65 Favored 'General case' 0 N--CA 1.482 1.17 0 CA-C-O 121.357 0.599 . . . . 0.0 111.368 -179.612 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -57.2 158.94 4.83 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.427 -179.147 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 17.0 tt -64.73 -32.73 59.23 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 CA-C-O 120.978 0.418 . . . . 0.0 110.112 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 37.1 t -80.28 11.26 3.68 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 115.864 -0.607 . . . . 0.0 112.012 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -60.95 -40.71 94.38 Favored 'General case' 0 N--CA 1.481 1.117 0 CA-C-O 120.488 0.185 . . . . 0.0 110.927 -179.146 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 52.0 m -68.46 -47.38 67.28 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-O 121.155 0.502 . . . . 0.0 109.767 178.839 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 81.2 mt -63.27 -35.43 80.32 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.778 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 68.0 ttt-85 -58.84 -26.03 63.79 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 116.517 -0.311 . . . . 0.0 110.912 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -52.66 -69.24 0.12 Allowed 'General case' 0 N--CA 1.48 1.032 0 CA-C-O 120.562 0.22 . . . . 0.0 110.728 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 66.1 18.34 66.82 Favored Glycine 0 N--CA 1.471 0.967 0 N-CA-C 110.696 -0.962 . . . . 0.0 110.696 179.561 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -48.81 -20.38 1.77 Allowed Glycine 0 CA--C 1.53 0.989 0 N-CA-C 112.308 -0.317 . . . . 0.0 112.308 -179.676 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 105.83 -73.3 0.22 Allowed Glycine 0 N--CA 1.476 1.354 0 N-CA-C 110.369 -1.093 . . . . 0.0 110.369 179.461 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 57.2 mtpt -68.89 108.3 3.42 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.8 mt -146.85 128.9 15.53 Favored 'General case' 0 N--CA 1.483 1.216 0 N-CA-C 108.358 -0.979 . . . . 0.0 108.358 179.321 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.426 ' ND2' ' CE2' ' A' ' 19' ' ' PHE . 14.9 t-20 -131.51 143.71 50.59 Favored 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 107.078 -1.452 . . . . 0.0 107.078 179.122 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.426 ' CE2' ' ND2' ' A' ' 18' ' ' ASN . 51.1 p90 -31.37 -34.24 0.01 OUTLIER 'General case' 0 C--O 1.21 -0.988 0 O-C-N 124.245 0.966 . . . . 0.0 113.066 -176.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -73.29 -45.13 57.4 Favored 'General case' 0 N--CA 1.481 1.095 0 N-CA-C 112.596 0.591 . . . . 0.0 112.596 178.408 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 68.8 mm-40 -60.88 -44.92 96.43 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 112.785 0.661 . . . . 0.0 112.785 -177.137 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.9 pp -76.85 -46.34 25.06 Favored 'General case' 0 CA--C 1.549 0.923 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.401 177.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.7 tmm_? -61.1 -49.85 75.64 Favored 'General case' 0 N--CA 1.485 1.284 0 O-C-N 122.356 -0.215 . . . . 0.0 111.353 -176.226 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -56.1 -35.36 66.96 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 112.422 0.527 . . . . 0.0 112.422 -178.644 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -72.74 -48.52 37.95 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 113.287 0.847 . . . . 0.0 113.287 177.298 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 24.9 mt -61.42 -31.57 71.5 Favored 'General case' 0 N--CA 1.483 1.193 0 CA-C-N 115.229 -0.896 . . . . 0.0 111.22 -177.317 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -56.42 -43.96 79.89 Favored 'General case' 0 CA--C 1.547 0.828 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 178.454 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -63.98 -35.91 92.6 Favored Glycine 0 CA--C 1.535 1.291 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.414 178.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -70.39 4.4 2.33 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 122.69 0.396 . . . . 0.0 111.503 -179.268 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 71.44 19.48 77.69 Favored Glycine 0 N--CA 1.469 0.86 0 CA-C-N 115.742 -0.663 . . . . 0.0 112.436 177.751 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.412 ' HD1' ' N ' ' A' ' 31' ' ' HIS . 0.7 OUTLIER -68.56 162.86 24.87 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 118.081 0.941 . . . . 0.0 110.183 179.37 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 68.2 p -94.57 159.72 14.96 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 115.296 -0.865 . . . . 0.0 110.11 -177.113 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -61.44 -41.57 97.4 Favored 'General case' 0 N--CA 1.462 0.151 0 N-CA-C 109.894 -0.41 . . . . 0.0 109.894 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.72 -47.06 87.16 Favored 'General case' 0 CA--C 1.542 0.672 0 O-C-N 123.324 0.39 . . . . 0.0 110.12 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.436 ' O ' HD13 ' A' ' 39' ' ' ILE . 70.0 mm-40 -67.67 -46.78 71.38 Favored 'General case' 0 N--CA 1.477 0.92 0 O-C-N 121.363 -0.835 . . . . 0.0 110.712 -178.22 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 78.1 mt -57.72 -50.17 78.39 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.86 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.036 -177.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -64.19 -41.68 96.99 Favored 'General case' 0 C--N 1.349 0.562 0 CA-C-O 121.739 0.78 . . . . 0.0 111.754 -177.333 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.71 -44.6 85.63 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-N 115.404 -0.816 . . . . 0.0 111.368 -179.476 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.436 HD13 ' O ' ' A' ' 35' ' ' GLU . 1.4 mp -62.15 -46.45 96.44 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 C-N-CA 119.847 -0.741 . . . . 0.0 112.483 -175.662 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -67.44 -38.4 84.46 Favored 'General case' 0 N--CA 1.478 0.942 0 CA-C-O 121.792 0.806 . . . . 0.0 110.959 -179.054 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 23.7 m -61.77 -46.53 89.19 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 114.219 -1.355 . . . . 0.0 111.861 -176.208 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 60.8 mttp -68.21 -48.94 63.84 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.417 179.349 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -72.36 -32.46 66.48 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 120.325 -0.55 . . . . 0.0 110.799 -177.841 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -109.64 106.07 15.59 Favored 'General case' 0 N--CA 1.494 1.731 0 N-CA-C 108.096 -1.076 . . . . 0.0 108.096 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 17.3 mm-40 -59.94 -50.4 73.92 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 112.764 0.653 . . . . 0.0 112.764 -176.088 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 28.0 t0 -106.11 -2.42 22.65 Favored 'General case' 0 N--CA 1.49 1.54 0 CA-C-N 119.37 0.987 . . . . 0.0 111.82 178.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 41.17 32.38 0.63 Allowed Glycine 0 N--CA 1.484 1.839 0 N-CA-C 113.811 0.285 . . . . 0.0 113.811 -179.242 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -114.35 -16.38 11.99 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 123.308 0.643 . . . . 0.0 111.497 -178.127 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.455 ' NE2' ' O ' ' A' ' 50' ' ' GLU . 0.0 OUTLIER -130.69 -172.05 2.71 Favored 'General case' 0 N--CA 1.488 1.471 0 C-N-CA 122.78 0.432 . . . . 0.0 110.738 -178.123 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.455 ' O ' ' NE2' ' A' ' 49' ' ' GLN . 72.8 mm-40 -75.73 147.25 39.47 Favored 'General case' 0 C--N 1.342 0.244 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 -178.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 41.0 tp -90.42 123.3 34.02 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-O 121.764 0.793 . . . . 0.0 109.661 -176.537 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.461 HG22 ' N ' ' A' ' 53' ' ' GLU . 59.0 m -80.67 167.37 20.1 Favored 'General case' 0 N--CA 1.436 -1.133 0 CA-C-N 114.558 -1.201 . . . . 0.0 110.099 -177.269 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.461 ' N ' HG22 ' A' ' 52' ' ' THR . 71.0 mm-40 -72.34 -48.54 41.12 Favored 'General case' 0 N--CA 1.438 -1.065 0 CA-C-N 112.572 -2.104 . . . . 0.0 109.708 -179.57 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.41 ' H ' HG22 ' A' ' 52' ' ' THR . 84.7 t60 -54.64 -50.68 67.56 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 119.801 -0.76 . . . . 0.0 110.294 -175.602 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 71.4 mt-10 -62.34 -44.74 95.77 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 118.686 0.675 . . . . 0.0 110.112 179.201 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 -65.69 -54.34 28.74 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 111.966 0.358 . . . . 0.0 111.966 -179.085 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.1 mp0 -57.32 -38.51 74.17 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 118.361 0.528 . . . . 0.0 110.752 -178.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 7.6 tp-100 -64.66 -54.59 29.31 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 179.768 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 30.4 tpp -62.58 -36.01 81.34 Favored 'General case' 0 C--N 1.351 0.644 0 CA-C-O 121.538 0.685 . . . . 0.0 110.893 -179.303 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 70.1 ttp85 -58.7 -47.57 84.11 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.344 -178.239 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -60.91 -36.51 79.46 Favored 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 179.206 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 74.8 m-20 -65.08 -40.22 94.34 Favored 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 178.729 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.2 tp -59.58 -49.2 78.69 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.221 -179.392 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 71.8 mm-40 -57.02 -43.92 82.34 Favored 'General case' 0 CA--C 1.552 1.052 0 C-N-CA 120.594 -0.443 . . . . 0.0 110.187 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 13.4 tmtt? -62.97 -44.52 95.83 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 122.792 0.437 . . . . 0.0 111.256 179.627 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 -66.21 -43.49 86.57 Favored 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 110.225 -0.287 . . . . 0.0 110.225 179.013 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 75.0 mtp180 -55.08 -43.06 73.56 Favored 'General case' 0 N--CA 1.481 1.08 0 CA-C-N 117.009 -0.087 . . . . 0.0 110.896 179.636 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -60.44 -65.01 0.75 Allowed 'General case' 0 N--CA 1.48 1.062 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 179.414 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -55.24 -42.01 72.86 Favored 'General case' 0 CA--C 1.553 1.076 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.3 -179.388 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 61.7 tp -63.36 -39.78 95.47 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 122.604 0.362 . . . . 0.0 111.41 179.718 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -60.45 -50.93 71.63 Favored 'General case' 0 N--CA 1.481 1.114 0 CA-C-O 120.849 0.357 . . . . 0.0 110.098 -179.298 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 79.9 mt -64.13 -44.45 92.18 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.179 179.535 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 70.4 m-20 -80.21 84.02 5.97 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 179.661 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 -60.78 -45.25 95.09 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.263 -179.737 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 33.6 t 51.33 -170.24 0.03 OUTLIER 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 115.463 -0.79 . . . . 0.0 110.798 -179.299 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 53.9 m -162.41 -10.7 0.04 OUTLIER 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 110.121 -0.326 . . . . 0.0 110.121 179.63 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 59.1 mt -68.09 145.25 97.57 Favored Pre-proline 0 CA--C 1.562 1.43 0 CA-C-O 118.515 -0.755 . . . . 0.0 111.117 -178.719 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_exo . . . . . 0 N--CA 1.52 3.084 0 C-N-CA 122.64 2.227 . . . . 0.0 113.786 178.757 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 68.6 p -65.41 -32.78 74.59 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.498 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 33.1 t -69.06 84.2 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 179.815 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -165.49 81.45 0.33 Allowed 'General case' 0 N--CA 1.468 0.448 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 179.771 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -71.44 155.87 40.12 Favored 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 108.933 -0.765 . . . . 0.0 108.933 179.13 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 17.9 tt -140.37 -37.09 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.182 0 C-N-CA 122.715 0.406 . . . . 0.0 110.126 -179.48 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 54.1 m -77.69 -4.61 47.02 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.952 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 75.1 tt0 -70.95 -40.13 72.2 Favored 'General case' 0 N--CA 1.479 0.976 0 N-CA-C 110.544 -0.169 . . . . 0.0 110.544 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 47.5 t -59.86 -51.42 69.77 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-O 121.027 0.441 . . . . 0.0 111.106 -179.19 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 21.0 mt -61.74 -43.56 98.62 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.894 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.448 ' O ' ' N ' ' A' ' 13' ' ' GLY . 59.8 ttp180 -67.04 -54.04 25.45 Favored 'General case' 0 C--N 1.345 0.399 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.33 -179.075 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 32.2 tp60 53.92 -78.25 0.01 OUTLIER 'General case' 0 CA--C 1.546 0.813 0 CA-C-N 115.422 -0.808 . . . . 0.0 111.23 -179.454 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 11' ' ' ARG . . . 75.78 16.3 80.75 Favored Glycine 0 N--CA 1.468 0.801 0 N-CA-C 110.636 -0.986 . . . . 0.0 110.636 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -74.96 -21.91 77.68 Favored Glycine 0 N--CA 1.469 0.871 0 N-CA-C 110.976 -0.849 . . . . 0.0 110.976 179.675 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 102.53 -33.73 6.32 Favored Glycine 0 N--CA 1.48 1.605 0 N-CA-C 111.154 -0.778 . . . . 0.0 111.154 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 44.8 mtmt -119.94 126.67 51.46 Favored 'General case' 0 N--CA 1.481 1.089 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 179.482 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.2 tp -154.65 138.6 16.34 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 -179.554 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 14.5 p30 -157.05 165.16 36.88 Favored 'General case' 0 CA--C 1.514 -0.405 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 179.316 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 24.0 p90 -31.3 -41.93 0.04 OUTLIER 'General case' 0 C--O 1.203 -1.35 0 O-C-N 124.75 1.281 . . . . 0.0 113.522 -177.368 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -72.24 -44.82 62.3 Favored 'General case' 0 N--CA 1.483 1.186 0 N-CA-C 112.795 0.665 . . . . 0.0 112.795 -179.199 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 65.8 mm-40 -63.07 -45.35 92.59 Favored 'General case' 0 N--CA 1.481 1.1 0 CA-C-N 115.464 -0.789 . . . . 0.0 112.721 -176.017 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.476 HD12 ' N ' ' A' ' 23' ' ' ARG . 1.8 pp -77.5 -47.56 19.28 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.658 -0.701 . . . . 0.0 112.847 178.355 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.476 ' N ' HD12 ' A' ' 22' ' ' LEU . 1.9 ppt_? -60.88 -45.85 92.94 Favored 'General case' 0 N--CA 1.494 1.76 0 C-N-CA 120.082 -0.647 . . . . 0.0 111.899 -173.202 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 18.2 pt20 -56.16 -35.39 67.14 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.711 -0.677 . . . . 0.0 112.193 -178.076 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -72.36 -48.4 42.06 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 123.678 0.791 . . . . 0.0 112.687 178.227 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 95.9 mt -61.91 -31.47 71.78 Favored 'General case' 0 N--CA 1.484 1.251 0 CA-C-N 114.893 -1.048 . . . . 0.0 111.363 -177.427 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.2 ttpt -56.06 -45.45 79.29 Favored 'General case' 0 CA--C 1.547 0.83 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 178.555 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -62.01 -35.51 91.53 Favored Glycine 0 CA--C 1.533 1.173 0 N-CA-C 111.135 -0.786 . . . . 0.0 111.135 178.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -70.68 2.96 3.51 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 122.844 0.458 . . . . 0.0 111.157 -179.364 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 72.04 19.75 78.58 Favored Glycine 0 N--CA 1.466 0.657 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.943 177.776 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -66.93 162.38 22.01 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 117.7 0.75 . . . . 0.0 110.272 179.52 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 60.4 p -96.04 162.99 13.32 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 115.09 -0.959 . . . . 0.0 109.69 -176.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 -61.8 -40.19 94.35 Favored 'General case' 0 C--O 1.234 0.267 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.32 -46.97 87.12 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 179.669 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.42 ' O ' HD13 ' A' ' 39' ' ' ILE . 73.8 mt-10 -69.37 -48.07 62.37 Favored 'General case' 0 N--CA 1.472 0.627 0 O-C-N 121.205 -0.934 . . . . 0.0 110.028 -178.244 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 78.8 mt -57.14 -50.53 76.24 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.812 -176.702 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -64.1 -38.58 91.59 Favored 'General case' 0 C--N 1.349 0.581 0 CA-C-O 121.197 0.522 . . . . 0.0 111.21 -178.306 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.01 -45.36 81.83 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.037 -179.418 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.42 HD13 ' O ' ' A' ' 35' ' ' GLU . 1.4 mp -61.94 -46.59 96.17 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.759 0 C-N-CA 120.082 -0.647 . . . . 0.0 112.035 -175.56 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -67.18 -41.0 86.62 Favored 'General case' 0 CA--C 1.508 -0.642 0 CA-C-O 121.263 0.554 . . . . 0.0 109.53 -179.495 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 16.6 m -61.09 -46.53 90.26 Favored 'General case' 0 C--N 1.35 0.595 0 CA-C-N 114.853 -1.067 . . . . 0.0 111.097 -175.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 60.5 mttp -69.6 -48.79 58.9 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.377 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.668 ' O ' HD11 ' A' ' 51' ' ' LEU . 8.8 m-85 -71.84 -32.09 67.18 Favored 'General case' 0 C--O 1.209 -1.037 0 C-N-CA 119.204 -0.998 . . . . 0.0 109.969 -176.487 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -112.67 105.35 13.49 Favored 'General case' 0 N--CA 1.483 1.191 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 -179.205 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 27.2 mm-40 -60.1 -50.89 71.93 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 120.746 -0.382 . . . . 0.0 111.833 -177.005 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 64.0 m-20 -105.77 -2.48 23.15 Favored 'General case' 0 N--CA 1.482 1.129 0 CA-C-N 118.719 0.69 . . . . 0.0 111.685 179.209 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 48.3 26.47 4.9 Favored Glycine 0 N--CA 1.484 1.9 0 C-N-CA 121.47 -0.395 . . . . 0.0 112.371 -179.286 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 70.4 m-20 -117.43 -18.71 9.76 Favored 'General case' 0 N--CA 1.489 1.493 0 C-N-CA 123.35 0.66 . . . . 0.0 111.848 -178.507 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.5 pp0? -120.19 164.2 16.59 Favored 'General case' 0 N--CA 1.49 1.527 0 C-N-CA 123.276 0.63 . . . . 0.0 110.566 -177.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -76.52 147.41 37.78 Favored 'General case' 0 C--N 1.343 0.298 0 C-N-CA 124.144 0.978 . . . . 0.0 109.516 178.771 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.668 HD11 ' O ' ' A' ' 43' ' ' TYR . 3.5 mm? -91.93 118.91 31.2 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-O 122.123 0.964 . . . . 0.0 111.06 -178.327 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.9 t -79.9 -178.1 6.29 Favored 'General case' 0 CA--C 1.493 -1.237 0 CA-C-N 113.426 -1.715 . . . . 0.0 108.218 -177.679 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 92.2 mt-10 -65.26 -58.75 5.17 Favored 'General case' 0 C--N 1.308 -1.212 0 CA-C-N 113.782 -1.554 . . . . 0.0 111.026 -177.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 65.9 m80 -54.76 -50.28 68.8 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 120.364 -0.534 . . . . 0.0 110.499 -174.777 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 70.6 mm-40 -61.22 -48.01 83.45 Favored 'General case' 0 C--O 1.218 -0.597 0 CA-C-N 118.137 0.426 . . . . 0.0 109.965 178.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 41.5 t-80 -62.55 -53.09 59.91 Favored 'General case' 0 CA--C 1.551 1.015 0 N-CA-C 112.363 0.505 . . . . 0.0 112.363 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.1 mp0 -61.53 -38.26 86.75 Favored 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 111.78 0.289 . . . . 0.0 111.78 -178.621 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 83.5 mt-30 -60.83 -53.99 50.65 Favored 'General case' 0 N--CA 1.478 0.932 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 34.2 mmt -63.42 -36.71 84.65 Favored 'General case' 0 C--N 1.344 0.358 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 58.2 ttp180 -60.53 -48.81 80.12 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 119.475 -0.89 . . . . 0.0 110.381 -178.755 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 75.9 m-20 -62.3 -36.74 83.07 Favored 'General case' 0 C--N 1.344 0.337 0 CA-C-O 120.916 0.389 . . . . 0.0 110.518 -179.232 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 74.1 m-20 -64.32 -41.38 96.85 Favored 'General case' 0 C--O 1.224 -0.259 0 CA-C-N 115.403 -0.817 . . . . 0.0 108.837 179.302 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.2 tp -61.19 -50.27 73.82 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.459 -179.297 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 72.1 mt-10 -57.17 -46.73 82.53 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 120.554 -0.459 . . . . 0.0 109.853 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -60.91 -43.2 98.88 Favored 'General case' 0 N--CA 1.477 0.894 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.37 179.47 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 90.5 mt-10 -66.56 -46.3 76.53 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 179.465 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 76.5 mtp180 -52.64 -46.15 66.97 Favored 'General case' 0 N--CA 1.481 1.122 0 N-CA-C 111.381 0.141 . . . . 0.0 111.381 -179.676 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -63.24 -65.02 0.74 Allowed 'General case' 0 N--CA 1.479 0.995 0 CA-C-O 120.788 0.327 . . . . 0.0 110.169 179.303 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -51.72 -42.41 62.23 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.942 -179.43 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 56.1 tp -55.37 -44.85 76.41 Favored 'General case' 0 N--CA 1.485 1.279 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.819 -178.85 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 60.9 m-20 -60.74 -52.1 66.52 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-O 120.997 0.427 . . . . 0.0 109.994 -179.594 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 79.3 mt -60.97 -42.42 98.28 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.439 -179.748 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 75.9 m-20 -64.43 136.5 57.15 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 179.282 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 75.8 m80 -64.76 -43.54 92.94 Favored 'General case' 0 N--CA 1.467 0.421 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 -179.385 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 43.7 t 50.32 21.34 0.79 Allowed 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.176 -179.793 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 38.7 t -63.2 -19.7 64.75 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 115.327 -0.851 . . . . 0.0 110.937 -179.682 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 64.6 mt -68.13 144.53 96.98 Favored Pre-proline 0 CA--C 1.555 1.136 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.844 -178.671 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_endo . . . . . 0 N--CA 1.511 2.557 0 C-N-CA 121.998 1.799 . . . . 0.0 110.679 179.593 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ASN . . . . . 0.448 ' H3 ' ' ND2' ' A' ' 1' ' ' ASN . 3.6 p30 . . . . . 0 N--CA 1.488 1.458 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 24.3 m -62.33 -50.63 70.88 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-O 120.761 0.315 . . . . 0.0 111.294 -179.735 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 50.7 t -66.22 -44.44 91.37 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 N-CA-C 109.786 -0.449 . . . . 0.0 109.786 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 19.3 p-10 -166.53 160.83 15.65 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.141 -179.569 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 -77.05 111.39 12.57 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.673 179.736 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 43.3 pt -66.38 -23.69 32.06 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 CA-C-O 121.173 0.511 . . . . 0.0 110.348 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 50.0 m -81.09 12.19 3.59 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 115.517 -0.765 . . . . 0.0 111.707 -179.685 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 77.0 tt0 -60.46 -39.44 87.59 Favored 'General case' 0 N--CA 1.481 1.077 0 CA-C-N 117.687 0.221 . . . . 0.0 110.497 -178.85 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 89.0 p -64.22 -39.92 94.96 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 178.629 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 56.4 mt -66.32 -40.78 90.16 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.573 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -58.46 -25.74 62.6 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 122.08 0.152 . . . . 0.0 110.967 -178.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -46.0 -75.95 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.092 0 O-C-N 123.071 0.232 . . . . 0.0 111.059 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 56.69 18.58 24.82 Favored Glycine 0 N--CA 1.474 1.17 0 N-CA-C 110.981 -0.847 . . . . 0.0 110.981 179.152 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -56.41 -7.89 2.29 Favored Glycine 0 CA--C 1.532 1.133 0 N-CA-C 111.833 -0.507 . . . . 0.0 111.833 -179.512 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 105.1 -62.11 0.36 Allowed Glycine 0 N--CA 1.474 1.177 0 N-CA-C 110.54 -1.024 . . . . 0.0 110.54 179.145 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 41.4 mtmt -82.69 107.74 15.54 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 179.704 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.8 tp -151.2 136.2 17.41 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 109.584 -0.525 . . . . 0.0 109.584 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 21.2 p30 -155.56 164.01 39.22 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.057 -0.719 . . . . 0.0 109.057 179.355 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 29.9 p90 -30.95 -40.54 0.03 OUTLIER 'General case' 0 CA--C 1.547 0.862 0 O-C-N 124.641 1.213 . . . . 0.0 113.017 -177.408 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -73.69 -45.32 53.11 Favored 'General case' 0 N--CA 1.486 1.349 0 CA-C-O 121.31 0.576 . . . . 0.0 112.483 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 67.3 mm-40 -61.54 -45.03 95.91 Favored 'General case' 0 N--CA 1.478 0.958 0 CA-C-O 121.185 0.517 . . . . 0.0 112.077 -176.466 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.1 pp -76.46 -46.85 25.08 Favored 'General case' 0 CA--C 1.547 0.832 0 CA-C-N 115.588 -0.733 . . . . 0.0 112.341 178.416 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 8.0 tmm_? -61.31 -49.97 74.84 Favored 'General case' 0 N--CA 1.487 1.418 0 N-CA-C 112.077 0.399 . . . . 0.0 112.077 -175.376 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -59.97 -34.87 73.86 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.903 -178.732 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -71.62 -48.17 49.72 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-O 121.442 0.639 . . . . 0.0 110.203 175.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 22.6 mt -62.97 -32.05 73.3 Favored 'General case' 0 N--CA 1.494 1.735 0 CA-C-N 114.877 -1.056 . . . . 0.0 111.779 -176.546 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.2 ttpt -55.34 -43.39 74.96 Favored 'General case' 0 CA--C 1.55 0.95 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 178.854 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -64.11 -35.77 92.41 Favored Glycine 0 CA--C 1.534 1.267 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.744 179.081 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -70.55 2.91 3.47 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 122.702 0.401 . . . . 0.0 111.337 -178.832 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 71.48 19.42 77.71 Favored Glycine 0 N--CA 1.467 0.742 0 CA-C-N 115.707 -0.679 . . . . 0.0 112.275 177.32 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -67.07 162.47 22.17 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-N 117.832 0.816 . . . . 0.0 110.399 179.76 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 71.8 p -90.37 158.91 16.88 Favored 'General case' 0 CA--C 1.503 -0.861 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.44 -176.768 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.466 ' O ' ' HG3' ' A' ' 37' ' ' GLU . 73.3 m-20 -62.89 -45.21 93.6 Favored 'General case' 0 C--O 1.213 -0.817 0 N-CA-C 109.786 -0.449 . . . . 0.0 109.786 -179.647 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.51 -46.52 86.57 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 120.519 -0.472 . . . . 0.0 110.889 -179.482 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 62.2 mm-40 -65.61 -42.41 91.64 Favored 'General case' 0 N--CA 1.479 0.986 0 CA-C-O 121.175 0.512 . . . . 0.0 110.839 -176.617 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 66.9 mt -57.34 -47.11 85.18 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.514 0 CA-C-N 115.356 -0.838 . . . . 0.0 109.053 179.663 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.466 ' HG3' ' O ' ' A' ' 33' ' ' ASP . 76.8 mt-10 -57.87 -47.03 83.92 Favored 'General case' 0 CA--C 1.507 -0.706 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.53 -179.45 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.11 -44.68 96.98 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.392 -179.622 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.6 mp -63.48 -47.22 92.64 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.9 0 C-N-CA 118.872 -1.131 . . . . 0.0 111.369 -175.444 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -67.95 -44.78 76.0 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-O 121.69 0.757 . . . . 0.0 110.926 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 40.9 m -59.23 -46.72 87.72 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-N 114.312 -1.313 . . . . 0.0 111.803 -176.737 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -69.62 -48.97 58.2 Favored 'General case' 0 N--CA 1.446 -0.655 0 C-N-CA 121.064 -0.255 . . . . 0.0 110.366 -179.64 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 -71.28 -32.14 68.32 Favored 'General case' 0 C--N 1.352 0.699 0 C-N-CA 119.69 -0.804 . . . . 0.0 110.167 -176.667 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -112.24 103.6 11.76 Favored 'General case' 0 N--CA 1.483 1.223 0 N-CA-C 108.998 -0.741 . . . . 0.0 108.998 -179.125 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.454 ' NE2' ' OE2' ' A' ' 55' ' ' GLU . 1.8 mp0 -60.19 -51.2 70.58 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-O 118.905 -0.569 . . . . 0.0 111.184 -176.779 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 65.4 m-20 -106.04 -2.23 22.99 Favored 'General case' 0 N--CA 1.488 1.438 0 CA-C-N 119.025 0.83 . . . . 0.0 112.31 179.196 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 43.89 34.57 2.98 Favored Glycine 0 N--CA 1.489 2.231 0 CA-C-N 117.611 0.187 . . . . 0.0 113.423 -178.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -116.19 -19.74 10.12 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 123.329 0.652 . . . . 0.0 112.253 -178.088 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -125.71 169.62 12.36 Favored 'General case' 0 N--CA 1.494 1.773 0 CA-C-O 121.134 0.492 . . . . 0.0 110.984 -177.856 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -75.94 147.1 39.18 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 123.541 0.736 . . . . 0.0 109.208 179.446 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -91.93 118.43 30.74 Favored 'General case' 0 N--CA 1.481 1.095 0 CA-C-O 121.939 0.876 . . . . 0.0 110.598 -178.186 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 4.9 t -79.62 -177.98 6.12 Favored 'General case' 0 CA--C 1.498 -1.048 0 CA-C-N 114.169 -1.378 . . . . 0.0 109.263 -176.515 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 91.1 mt-10 -63.53 -60.77 2.91 Favored 'General case' 0 C--N 1.311 -1.086 0 CA-C-N 114.101 -1.409 . . . . 0.0 111.331 -178.015 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 46.4 t-80 -56.3 -50.41 71.51 Favored 'General case' 0 N--CA 1.479 0.975 0 C-N-CA 120.354 -0.538 . . . . 0.0 110.988 -174.854 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.454 ' OE2' ' NE2' ' A' ' 45' ' ' GLN . 44.7 tp10 -60.45 -49.33 77.99 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 118.678 0.672 . . . . 0.0 110.105 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 21.4 t60 -63.54 -50.68 68.58 Favored 'General case' 0 CA--C 1.549 0.916 0 N-CA-C 111.861 0.319 . . . . 0.0 111.861 -179.63 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -60.18 -42.21 94.53 Favored 'General case' 0 CA--C 1.552 1.026 0 CA-C-N 118.419 0.554 . . . . 0.0 111.443 -178.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 79.5 mm-40 -60.18 -54.51 45.02 Favored 'General case' 0 N--CA 1.481 1.118 0 CA-C-N 117.592 0.178 . . . . 0.0 110.966 -178.525 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 35.9 mmt -61.55 -39.99 93.08 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-O 120.956 0.408 . . . . 0.0 110.567 -179.33 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 60.4 ttp180 -59.79 -48.63 80.91 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.809 -178.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -65.34 -35.94 82.52 Favored 'General case' 0 N--CA 1.464 0.258 0 N-CA-C 110.411 -0.218 . . . . 0.0 110.411 179.729 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 79.3 m-20 -66.78 -46.82 74.09 Favored 'General case' 0 C--N 1.341 0.215 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.947 -178.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 10.9 tp -64.56 -47.94 76.88 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.375 -178.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 78.1 tt0 -57.43 -46.55 83.44 Favored 'General case' 0 CA--C 1.547 0.85 0 CA-C-N 118.228 0.467 . . . . 0.0 110.17 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 25.6 mmtp -62.68 -40.97 98.76 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.305 179.756 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 59.7 mm-40 -69.02 -43.48 74.66 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 178.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -54.44 -43.7 71.84 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 122.073 0.149 . . . . 0.0 110.807 -179.289 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 45.2 tp10 -62.85 -64.81 0.81 Allowed 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 109.492 -0.559 . . . . 0.0 109.492 179.639 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 58.0 m-20 -53.44 -44.6 68.96 Favored 'General case' 0 CA--C 1.55 0.946 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.799 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 62.4 tp -60.95 -42.77 98.89 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 122.455 0.302 . . . . 0.0 111.013 -179.706 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -59.51 -54.1 50.47 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 -179.354 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.432 ' C ' ' H ' ' A' ' 74' ' ' HIS . 5.4 tp -75.36 50.06 0.5 Allowed 'General case' 0 CA--C 1.544 0.731 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.72 -179.843 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 6.9 p30 -68.65 6.86 0.75 Allowed 'General case' 0 N--CA 1.476 0.874 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.408 179.285 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.432 ' H ' ' C ' ' A' ' 72' ' ' LEU . 69.8 m80 -70.62 -34.97 72.68 Favored 'General case' 0 N--CA 1.465 0.307 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 179.19 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 92.9 p -168.02 92.25 0.35 Allowed 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.411 -179.635 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 91.9 p -62.19 -34.78 77.11 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.867 179.547 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.27 148.21 98.8 Favored Pre-proline 0 CA--C 1.555 1.165 0 CA-C-O 118.986 -0.53 . . . . 0.0 110.045 -179.77 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_endo . . . . . 0 N--CA 1.51 2.463 0 C-N-CA 121.903 1.735 . . . . 0.0 110.328 179.0 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 79.8 m-20 . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.1 t -60.44 -20.89 61.42 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.835 179.635 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 50.6 t -62.06 -43.45 97.7 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.571 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -157.9 133.8 9.24 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.952 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 19.3 p-10 -66.42 141.37 57.95 Favored 'General case' 0 CA--C 1.541 0.599 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 179.084 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 35.0 pt -66.3 -20.98 28.04 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 CA-C-O 120.893 0.377 . . . . 0.0 110.28 179.604 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 54.7 m -71.25 7.31 1.34 Allowed 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.422 179.738 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 39.5 tp10 -61.44 -38.73 88.25 Favored 'General case' 0 N--CA 1.478 0.93 0 CA-C-O 120.811 0.339 . . . . 0.0 110.601 -179.683 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 52.7 m -56.64 -51.29 69.26 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-O 120.797 0.332 . . . . 0.0 110.537 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.721 HD12 ' CE2' ' A' ' 43' ' ' TYR . 4.1 mm? -68.16 -32.91 73.5 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.356 179.201 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 65.1 ttt-85 -58.79 -26.68 64.3 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 116.728 -0.215 . . . . 0.0 110.471 -179.175 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 95.8 mm-40 -43.77 -82.93 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.256 0 O-C-N 123.387 0.43 . . . . 0.0 110.739 178.832 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.406 ' C ' ' H ' ' A' ' 15' ' ' GLY . . . 62.15 18.37 57.57 Favored Glycine 0 N--CA 1.471 1.014 0 N-CA-C 110.701 -0.96 . . . . 0.0 110.701 179.362 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -53.96 -8.38 1.0 Allowed Glycine 0 CA--C 1.538 1.471 0 N-CA-C 111.815 -0.514 . . . . 0.0 111.815 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.406 ' H ' ' C ' ' A' ' 13' ' ' GLY . . . 106.48 -72.27 0.22 Allowed Glycine 0 N--CA 1.474 1.231 0 N-CA-C 110.484 -1.046 . . . . 0.0 110.484 178.913 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 56.6 mtpt -74.46 108.9 7.52 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 179.808 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.7 tp -151.14 135.26 16.72 Favored 'General case' 0 C--O 1.221 -0.433 0 N-CA-C 107.452 -1.314 . . . . 0.0 107.452 179.396 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.454 ' ND2' ' CD2' ' A' ' 19' ' ' PHE . 20.3 t-20 -135.51 145.82 47.47 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.454 ' CD2' ' ND2' ' A' ' 18' ' ' ASN . 44.3 p90 -31.83 -32.29 0.01 OUTLIER 'General case' 0 C--O 1.198 -1.613 0 C-N-CA 124.147 0.979 . . . . 0.0 112.281 -178.887 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -72.53 -45.46 59.2 Favored 'General case' 0 N--CA 1.481 1.082 0 CA-C-O 121.329 0.585 . . . . 0.0 111.973 179.016 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.414 ' N ' ' O ' ' A' ' 18' ' ' ASN . 72.3 mm-40 -59.53 -47.12 86.77 Favored 'General case' 0 N--CA 1.486 1.366 0 CA-C-O 121.401 0.62 . . . . 0.0 111.902 -176.863 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.449 HD12 ' N ' ' A' ' 23' ' ' ARG . 2.6 pp -76.15 -46.83 26.74 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 114.603 -1.18 . . . . 0.0 112.041 178.01 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.449 ' N ' HD12 ' A' ' 22' ' ' LEU . 3.3 ttm-85 -60.33 -49.8 76.14 Favored 'General case' 0 N--CA 1.486 1.353 0 CA-C-O 120.939 0.4 . . . . 0.0 111.074 -175.491 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -58.45 -34.78 71.22 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.938 -0.574 . . . . 0.0 112.301 -178.676 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -70.93 -48.23 54.64 Favored 'General case' 0 N--CA 1.448 -0.551 0 C-N-CA 122.848 0.459 . . . . 0.0 110.345 176.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 54.1 mt -61.76 -31.7 71.9 Favored 'General case' 0 N--CA 1.502 2.173 0 CA-C-N 115.111 -0.949 . . . . 0.0 111.775 -176.702 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 34.8 ttpt -55.38 -45.2 76.58 Favored 'General case' 0 CA--C 1.552 1.055 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 178.471 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -61.63 -34.53 88.84 Favored Glycine 0 CA--C 1.536 1.375 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.721 179.407 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp -70.74 1.33 5.52 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 123.016 0.526 . . . . 0.0 111.406 -178.755 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 71.95 19.56 78.37 Favored Glycine 0 N--CA 1.467 0.753 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 177.325 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -67.29 162.76 22.03 Favored 'General case' 0 C--N 1.351 0.634 0 CA-C-N 117.373 0.586 . . . . 0.0 109.798 179.606 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 49.9 p -95.23 161.96 13.88 Favored 'General case' 0 CA--C 1.507 -0.695 0 CA-C-N 115.189 -0.914 . . . . 0.0 109.415 -176.822 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 72.3 m-20 -60.25 -42.24 94.9 Favored 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.45 -46.89 85.65 Favored 'General case' 0 C--N 1.352 0.714 0 O-C-N 123.648 0.593 . . . . 0.0 109.899 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -68.67 -47.6 66.09 Favored 'General case' 0 N--CA 1.473 0.7 0 O-C-N 121.633 -0.667 . . . . 0.0 110.136 -177.646 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 82.3 mt -57.98 -51.18 73.83 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 CA-C-N 115.248 -0.887 . . . . 0.0 110.705 -176.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -64.0 -42.07 97.29 Favored 'General case' 0 C--N 1.351 0.669 0 CA-C-O 121.136 0.494 . . . . 0.0 111.415 -177.559 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.23 -45.93 82.66 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 115.195 -0.911 . . . . 0.0 110.962 -178.484 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.3 mp -61.55 -47.26 94.21 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.423 0 CA-C-O 121.066 0.46 . . . . 0.0 111.008 -174.102 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -67.85 -42.1 81.91 Favored 'General case' 0 C--O 1.205 -1.251 0 CA-C-O 121.619 0.723 . . . . 0.0 110.447 -179.506 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 15.5 m -58.32 -45.25 88.4 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 114.827 -1.078 . . . . 0.0 111.077 -175.77 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -67.09 -49.11 66.11 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.061 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.721 ' CE2' HD12 ' A' ' 10' ' ' LEU . 16.7 m-85 -71.62 -31.06 66.48 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 120.506 -0.478 . . . . 0.0 111.02 -177.5 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.447 ' N ' ' OD1' ' A' ' 44' ' ' ASP . 0.3 OUTLIER -105.77 104.6 14.35 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 108.636 -0.875 . . . . 0.0 108.636 -179.149 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.462 ' NE2' ' N ' ' A' ' 45' ' ' GLN . 0.4 OUTLIER -62.77 -52.22 64.06 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 120.233 -0.587 . . . . 0.0 111.359 -177.087 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 64.1 m-20 -107.26 -2.92 20.27 Favored 'General case' 0 C--N 1.362 1.122 0 CA-C-N 119.041 0.837 . . . . 0.0 111.049 178.285 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 42.75 37.89 2.96 Favored Glycine 0 N--CA 1.492 2.389 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 -178.212 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -116.78 -19.75 9.78 Favored 'General case' 0 N--CA 1.491 1.589 0 C-N-CA 123.832 0.853 . . . . 0.0 112.157 -178.649 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -131.07 175.99 8.63 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 123.354 0.662 . . . . 0.0 110.226 -177.873 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 71.7 mt-10 -76.17 147.9 38.13 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 114.677 -1.147 . . . . 0.0 109.5 179.589 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 16.8 mt -90.92 119.17 30.9 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.173 -177.329 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 6.9 t -79.78 -178.39 6.38 Favored 'General case' 0 CA--C 1.489 -1.367 0 CA-C-N 115.122 -0.945 . . . . 0.0 108.72 -177.076 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -68.8 -58.3 4.38 Favored 'General case' 0 C--N 1.305 -1.33 0 CA-C-N 113.407 -1.724 . . . . 0.0 110.661 -177.613 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 80.9 t60 -55.13 -50.13 70.04 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 119.724 -0.79 . . . . 0.0 110.065 -173.668 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 66.3 tt0 -57.94 -51.17 70.76 Favored 'General case' 0 C--O 1.218 -0.553 0 CA-C-N 118.044 0.383 . . . . 0.0 110.214 178.8 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.506 ' HE2' HH21 ' A' ' 60' ' ' ARG . 21.1 t60 -62.76 -52.16 64.3 Favored 'General case' 0 CA--C 1.546 0.827 0 N-CA-C 111.965 0.357 . . . . 0.0 111.965 -179.039 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 4.6 mp0 -58.85 -36.7 75.01 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-N 117.687 0.221 . . . . 0.0 111.445 -179.17 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 48.0 tt0 -65.64 -54.37 28.55 Favored 'General case' 0 CA--C 1.541 0.612 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 -179.55 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 34.1 mmt -62.77 -35.1 78.72 Favored 'General case' 0 C--N 1.353 0.736 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.506 HH21 ' HE2' ' A' ' 56' ' ' HIS . 36.0 ttm180 -59.45 -48.98 79.56 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 119.422 -0.911 . . . . 0.0 110.012 -179.019 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -62.49 -36.43 82.49 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-O 120.715 0.293 . . . . 0.0 110.673 -179.652 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 60.7 m-20 -66.23 -44.83 82.64 Favored 'General case' 0 C--O 1.221 -0.415 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.036 -179.601 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 62.7 tp -60.56 -48.02 83.62 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.775 -179.24 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -57.03 -46.58 82.29 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 110.154 -0.313 . . . . 0.0 110.154 -178.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 57.3 mtpt -59.23 -42.02 90.03 Favored 'General case' 0 CA--C 1.551 0.993 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.411 178.481 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -69.88 -42.83 72.95 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 179.494 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 61.9 mtp85 -50.67 -38.92 49.33 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 122.061 0.144 . . . . 0.0 110.755 -179.455 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -58.36 -65.33 0.67 Allowed 'General case' 0 N--CA 1.483 1.186 0 CA-C-O 120.797 0.332 . . . . 0.0 110.336 178.846 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -53.57 -40.67 65.79 Favored 'General case' 0 N--CA 1.477 0.901 0 CA-C-O 121.002 0.429 . . . . 0.0 110.714 -178.829 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 75.4 mt -67.09 -38.94 86.58 Favored 'General case' 0 N--CA 1.477 0.923 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.739 -179.641 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -60.02 -46.38 89.69 Favored 'General case' 0 N--CA 1.48 1.066 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 -179.526 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 78.5 mt -64.06 -42.85 96.86 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.292 179.675 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 -66.41 104.98 1.34 Allowed 'General case' 0 CA--C 1.542 0.661 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 179.4 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 67.8 m80 -71.82 -17.79 62.13 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 -179.614 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 51.9 m -60.33 138.79 57.9 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.616 179.534 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 46.5 t -61.68 -41.55 97.71 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 121.068 0.461 . . . . 0.0 110.331 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 68.4 mt -70.55 145.99 93.34 Favored Pre-proline 0 CA--C 1.556 1.204 0 CA-C-N 115.36 -0.836 . . . . 0.0 111.551 -178.192 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_exo . . . . . 0 N--CA 1.513 2.643 0 C-N-CA 122.242 1.962 . . . . 0.0 113.294 178.098 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 18.0 m120 . . . . . 0 N--CA 1.491 1.621 0 N-CA-C 108.936 -0.765 . . . . 0.0 108.936 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 21.5 m -63.9 -47.64 79.8 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-O 120.888 0.375 . . . . 0.0 110.522 179.73 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 49.2 t -62.41 -48.04 90.16 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.437 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 -179.06 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 28.7 t70 52.26 96.08 0.01 OUTLIER 'General case' 0 CA--C 1.542 0.642 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.538 -179.387 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 18.0 p-10 -152.14 32.29 0.53 Allowed 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 120.387 0.137 . . . . 0.0 110.657 -179.349 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 73.6 mt -99.45 -40.22 8.48 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.08 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 179.604 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 48.1 m -72.47 10.51 0.8 Allowed 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.228 -178.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -61.72 -43.41 98.91 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-O 120.506 0.193 . . . . 0.0 110.73 179.399 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 60.7 p -67.81 -45.68 74.05 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-O 121.06 0.457 . . . . 0.0 109.809 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 66.1 mt -61.88 -30.34 70.8 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.535 179.224 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 57.6 ttm-85 -58.46 -27.24 64.21 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.496 -179.198 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 54.3 mt-30 -53.66 -93.86 0.0 OUTLIER 'General case' 0 CA--C 1.544 0.737 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.004 179.405 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 60.55 18.71 52.3 Favored Glycine 0 C--N 1.345 1.083 0 N-CA-C 111.079 -0.808 . . . . 0.0 111.079 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -66.52 53.85 0.2 Allowed Glycine 0 C--N 1.344 0.977 0 N-CA-C 111.619 -0.592 . . . . 0.0 111.619 -178.867 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 68.6 -65.73 0.43 Allowed Glycine 0 C--N 1.337 0.62 0 N-CA-C 111.928 -0.469 . . . . 0.0 111.928 178.672 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.692 ' O ' HD22 ' A' ' 17' ' ' LEU . 71.2 mmtt -88.65 106.6 18.43 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 109.716 -0.475 . . . . 0.0 109.716 -179.768 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.692 HD22 ' O ' ' A' ' 16' ' ' LYS . 1.7 mm? -140.07 125.54 19.06 Favored 'General case' 0 C--O 1.21 -0.976 0 O-C-N 124.159 0.912 . . . . 0.0 108.822 179.307 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.454 ' O ' ' N ' ' A' ' 21' ' ' GLU . 0.8 OUTLIER -136.46 141.69 43.55 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 108.053 -1.091 . . . . 0.0 108.053 -179.768 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 54.7 p90 -33.44 -30.1 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.306 1.042 . . . . 0.0 113.185 -178.69 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -66.95 -45.7 76.95 Favored 'General case' 0 C--O 1.21 -1.02 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 179.277 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 18' ' ' ASN . 69.2 mm-40 -59.35 -41.02 88.24 Favored 'General case' 0 N--CA 1.476 0.872 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.812 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.542 HD21 HD12 ' A' ' 17' ' ' LEU . 61.6 mt -74.88 -47.98 27.25 Favored 'General case' 0 N--CA 1.48 1.037 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.837 178.906 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 36.6 ttm180 -62.17 -54.29 43.11 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.737 -178.236 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 51.7 mm-40 -59.88 -36.47 76.98 Favored 'General case' 0 CA--C 1.501 -0.93 0 CA-C-N 115.562 -0.745 . . . . 0.0 111.811 -176.311 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 39.1 t70 -72.17 -49.43 35.78 Favored 'General case' 0 N--CA 1.444 -0.756 0 CA-C-O 121.285 0.564 . . . . 0.0 110.645 175.314 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 38.3 mt -62.73 -32.42 73.53 Favored 'General case' 0 N--CA 1.489 1.524 0 CA-C-N 114.609 -1.178 . . . . 0.0 111.842 -177.103 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.8 ttmm -54.89 -45.22 74.65 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 120.085 -0.646 . . . . 0.0 110.423 178.724 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -62.46 -29.89 74.74 Favored Glycine 0 N--CA 1.472 1.065 0 CA-C-N 115.752 -0.658 . . . . 0.0 112.296 -179.215 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -71.06 5.72 1.94 Allowed 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 122.579 0.352 . . . . 0.0 111.73 -178.448 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 70.59 12.19 69.79 Favored Glycine 0 N--CA 1.47 0.913 0 N-CA-C 111.248 -0.741 . . . . 0.0 111.248 176.662 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -66.75 161.93 22.52 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 -179.249 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 70.6 p -88.96 160.47 17.12 Favored 'General case' 0 CA--C 1.507 -0.675 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.068 -177.098 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 58.8 m-20 -58.02 -44.29 87.24 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.743 179.771 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.21 -47.32 85.78 Favored 'General case' 0 N--CA 1.471 0.606 0 O-C-N 123.691 0.619 . . . . 0.0 109.821 -179.417 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.407 ' O ' HD13 ' A' ' 39' ' ' ILE . 70.1 mm-40 -69.26 -44.81 71.16 Favored 'General case' 0 N--CA 1.472 0.638 0 O-C-N 121.485 -0.759 . . . . 0.0 110.782 -177.7 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 87.1 mt -58.67 -50.46 79.07 Favored 'Isoleucine or valine' 0 C--O 1.242 0.689 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.745 -177.784 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -63.57 -40.5 97.15 Favored 'General case' 0 C--N 1.345 0.397 0 CA-C-O 121.254 0.549 . . . . 0.0 111.429 -176.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.75 -45.25 87.24 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 115.151 -0.931 . . . . 0.0 111.746 -177.615 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.407 HD13 ' O ' ' A' ' 35' ' ' GLU . 1.4 mp -62.31 -46.34 96.65 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 C-N-CA 119.549 -0.86 . . . . 0.0 111.821 -174.883 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -67.59 -42.85 81.83 Favored 'General case' 0 C--O 1.206 -1.192 0 CA-C-O 121.798 0.809 . . . . 0.0 109.229 -179.076 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 16.4 m -58.26 -44.16 88.23 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 114.809 -1.087 . . . . 0.0 111.039 -176.153 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -66.21 -48.99 68.8 Favored 'General case' 0 N--CA 1.442 -0.847 0 C-N-CA 119.958 -0.697 . . . . 0.0 110.0 -178.414 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 17.6 m-85 -71.46 -31.28 66.98 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 120.201 -0.599 . . . . 0.0 110.136 -177.616 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.47 ' N ' ' OD1' ' A' ' 44' ' ' ASP . 0.4 OUTLIER -101.22 107.53 18.94 Favored 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 -179.344 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -63.41 -51.78 64.36 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-O 119.147 -0.454 . . . . 0.0 111.677 -176.199 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 36.0 t0 -107.39 -2.77 20.24 Favored 'General case' 0 N--CA 1.481 1.11 0 CA-C-N 118.696 0.68 . . . . 0.0 111.448 177.22 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 48.72 25.25 4.68 Favored Glycine 0 N--CA 1.484 1.87 0 C-N-CA 121.277 -0.487 . . . . 0.0 112.461 -178.062 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -117.75 -19.22 9.38 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 123.365 0.666 . . . . 0.0 111.854 -178.569 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -121.96 170.59 9.66 Favored 'General case' 0 N--CA 1.487 1.403 0 CA-C-O 121.373 0.606 . . . . 0.0 110.331 -177.756 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 -77.02 147.97 36.48 Favored 'General case' 0 C--O 1.234 0.284 0 C-N-CA 123.665 0.786 . . . . 0.0 110.312 179.744 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 18.5 mt -91.13 118.07 30.13 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 120.938 0.399 . . . . 0.0 110.962 -176.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.2 t -79.67 -178.27 6.28 Favored 'General case' 0 N--CA 1.44 -0.96 0 CA-C-N 115.114 -0.948 . . . . 0.0 108.846 -176.793 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 74.3 mt-10 -70.4 -57.03 5.26 Favored 'General case' 0 C--N 1.31 -1.148 0 CA-C-N 114.54 -1.209 . . . . 0.0 110.748 -177.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 56.4 t-80 -54.43 -50.9 66.54 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 119.957 -0.697 . . . . 0.0 110.231 -173.134 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 71.7 mm-40 -60.54 -51.24 70.25 Favored 'General case' 0 C--O 1.217 -0.638 0 CA-C-N 117.983 0.356 . . . . 0.0 110.361 179.003 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 32.6 t60 -60.09 -52.7 64.23 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 111.716 0.265 . . . . 0.0 111.716 -179.495 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -59.41 -37.0 76.9 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 117.766 0.257 . . . . 0.0 111.492 -179.002 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 50.8 tt0 -63.85 -54.38 35.81 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 -179.214 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 35.0 mmt -62.34 -35.65 79.77 Favored 'General case' 0 C--N 1.348 0.518 0 N-CA-C 109.619 -0.511 . . . . 0.0 109.619 179.782 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 59.2 ttp180 -59.61 -49.02 79.38 Favored 'General case' 0 C--N 1.347 0.489 0 C-N-CA 119.614 -0.835 . . . . 0.0 110.007 -178.37 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 75.8 m-20 -63.25 -36.43 83.62 Favored 'General case' 0 C--O 1.221 -0.445 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 -179.629 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -64.41 -44.03 92.52 Favored 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 -179.662 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 57.0 tp -61.28 -49.84 75.42 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.547 -179.36 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.4 tp10 -57.5 -45.74 84.57 Favored 'General case' 0 CA--C 1.545 0.768 0 CA-C-O 121.21 0.528 . . . . 0.0 109.911 -178.862 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 62.1 mmtt -57.12 -41.07 78.31 Favored 'General case' 0 N--CA 1.476 0.836 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.662 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 72.8 mt-10 -76.77 -34.31 58.02 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.034 178.584 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 63.6 ttt-85 -51.97 -39.35 59.2 Favored 'General case' 0 C--N 1.353 0.746 0 C-N-CA 122.53 0.332 . . . . 0.0 111.134 -179.181 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -58.19 -65.24 0.68 Allowed 'General case' 0 N--CA 1.481 1.124 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.089 179.406 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -56.69 -38.36 72.17 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 116.315 -0.402 . . . . 0.0 109.999 -179.609 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 8.2 tp -64.02 -42.8 97.0 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.012 -179.413 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -58.72 -44.91 90.54 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.862 -179.08 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 10.1 tp -63.65 -44.79 92.82 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.308 -179.712 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 68.9 m-20 -66.57 146.02 54.96 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.367 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 61.0 t-80 -62.72 -19.64 64.13 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.582 -0.281 . . . . 0.0 110.343 -179.717 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 46.7 t 52.01 39.0 25.39 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 121.431 0.634 . . . . 0.0 110.701 -179.407 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 96.0 p -60.5 -22.04 63.11 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.258 -179.601 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 64.6 mt -68.14 146.74 98.23 Favored Pre-proline 0 CA--C 1.553 1.072 0 CA-C-O 118.409 -0.805 . . . . 0.0 110.914 -178.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_exo . . . . . 0 N--CA 1.511 2.519 0 C-N-CA 122.52 2.146 . . . . 0.0 113.15 178.504 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 49.7 t30 . . . . . 0 N--CA 1.497 1.923 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 57.9 p -62.15 -27.59 69.06 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-O 120.967 0.413 . . . . 0.0 110.13 -179.762 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 35.1 m -77.09 19.37 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.422 179.484 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 15.3 p-10 -53.42 168.66 0.15 Allowed 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 110.036 -0.357 . . . . 0.0 110.036 179.22 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -162.66 179.03 8.0 Favored 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 64.1 mt -65.13 -44.99 95.45 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.649 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.345 -179.664 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 86.7 p -58.24 -9.41 1.48 Allowed 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.622 -179.123 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 43.3 tp10 -61.82 -45.47 93.68 Favored 'General case' 0 N--CA 1.479 0.984 0 N-CA-C 110.086 -0.339 . . . . 0.0 110.086 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 42.5 t -65.4 -43.14 91.56 Favored 'General case' 0 N--CA 1.481 1.079 0 CA-C-O 120.972 0.415 . . . . 0.0 110.731 179.115 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.457 ' N ' HD12 ' A' ' 10' ' ' LEU . 8.0 mp -64.93 -30.14 71.11 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.509 -179.665 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 34.4 ttm180 -58.21 -26.01 62.3 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 110.102 -0.333 . . . . 0.0 110.102 -178.379 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -50.2 -79.16 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.097 178.626 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 55.3 17.92 12.82 Favored Glycine 0 N--CA 1.473 1.163 0 N-CA-C 110.839 -0.905 . . . . 0.0 110.839 179.443 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -58.58 -6.08 3.17 Favored Glycine 0 CA--C 1.526 0.776 0 N-CA-C 111.614 -0.594 . . . . 0.0 111.614 -179.699 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 107.61 -69.65 0.21 Allowed Glycine 0 C--N 1.35 1.332 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 178.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 41.9 mtmt -82.08 113.85 20.23 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.5 tp -153.39 139.35 18.17 Favored 'General case' 0 C--O 1.216 -0.708 0 N-CA-C 108.111 -1.07 . . . . 0.0 108.111 179.345 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -148.53 154.99 40.55 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.047 0.842 . . . . 0.0 108.737 -178.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 41.3 p90 -31.22 -35.11 0.01 OUTLIER 'General case' 0 C--O 1.178 -2.686 0 O-C-N 124.831 1.332 . . . . 0.0 112.629 -177.536 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -72.46 -44.6 62.1 Favored 'General case' 0 C--O 1.204 -1.293 0 CA-C-N 117.703 0.229 . . . . 0.0 111.507 -178.774 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 73.4 mm-40 -63.55 -48.33 77.92 Favored 'General case' 0 N--CA 1.479 1.023 0 CA-C-O 121.81 0.815 . . . . 0.0 112.309 -176.375 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.0 pp -76.57 -47.16 23.41 Favored 'General case' 0 N--CA 1.483 1.218 0 CA-C-N 114.846 -1.07 . . . . 0.0 112.632 179.554 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.4 ttt180 -61.4 -50.98 70.68 Favored 'General case' 0 N--CA 1.489 1.476 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.653 -175.299 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 15.0 pt20 -56.28 -36.45 68.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.41 -0.813 . . . . 0.0 112.032 -177.635 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -72.11 -49.49 35.79 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 123.767 0.827 . . . . 0.0 113.018 177.461 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 95.0 mt -61.04 -31.57 71.2 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 124.385 1.053 . . . . 0.0 111.198 -177.455 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.2 ttpp -55.84 -44.59 78.12 Favored 'General case' 0 CA--C 1.551 1.015 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 178.687 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -62.54 -31.76 80.88 Favored Glycine 0 CA--C 1.532 1.094 0 N-CA-C 111.741 -0.544 . . . . 0.0 111.741 -179.69 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 43.5 mmtm -71.95 2.29 5.85 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.405 0.682 . . . . 0.0 111.033 -178.561 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 71.57 19.48 77.85 Favored Glycine 0 N--CA 1.471 0.984 0 N-CA-C 111.597 -0.601 . . . . 0.0 111.597 178.213 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -68.39 162.07 26.18 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 117.487 0.643 . . . . 0.0 109.893 179.583 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 70.3 p -92.29 159.01 15.8 Favored 'General case' 0 CA--C 1.502 -0.894 0 CA-C-N 115.912 -0.585 . . . . 0.0 109.488 -176.369 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.52 ' O ' ' HG3' ' A' ' 37' ' ' GLU . 72.2 m-20 -60.88 -44.67 96.77 Favored 'General case' 0 C--O 1.211 -0.951 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 -179.85 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.95 -46.46 85.04 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 120.12 -0.632 . . . . 0.0 110.246 -179.048 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.412 ' O ' HD13 ' A' ' 39' ' ' ILE . 94.9 mt-10 -65.9 -48.89 69.97 Favored 'General case' 0 N--CA 1.48 1.059 0 CA-C-O 121.095 0.474 . . . . 0.0 110.497 -177.422 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 77.2 mt -56.44 -49.7 75.94 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.756 0 CA-C-N 115.221 -0.899 . . . . 0.0 108.882 -177.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.52 ' HG3' ' O ' ' A' ' 33' ' ' ASP . 92.0 mt-10 -61.47 -44.85 96.37 Favored 'General case' 0 CA--C 1.502 -0.871 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.692 -178.622 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.27 -45.67 92.51 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.462 -178.775 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.412 HD13 ' O ' ' A' ' 35' ' ' GLU . 1.5 mp -62.99 -46.94 95.02 Favored 'Isoleucine or valine' 0 N--CA 1.509 2.51 0 C-N-CA 119.623 -0.831 . . . . 0.0 111.96 -174.727 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -68.11 -46.11 71.82 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-O 121.604 0.716 . . . . 0.0 110.513 179.666 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 48.8 m -58.75 -45.12 90.43 Favored 'General case' 0 C--O 1.238 0.458 0 CA-C-N 114.855 -1.066 . . . . 0.0 111.402 -177.311 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 54.3 mtpt -69.32 -49.25 57.56 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.964 -179.62 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -71.11 -31.07 67.32 Favored 'General case' 0 N--CA 1.484 1.227 0 CA-C-O 119.602 -0.237 . . . . 0.0 110.44 -176.67 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.408 ' OD1' ' NE2' ' A' ' 49' ' ' GLN . 10.1 t0 -108.82 105.55 15.16 Favored 'General case' 0 N--CA 1.483 1.197 0 N-CA-C 107.783 -1.191 . . . . 0.0 107.783 179.548 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -59.12 -50.41 74.14 Favored 'General case' 0 C--O 1.24 0.579 0 N-CA-C 112.559 0.577 . . . . 0.0 112.559 -175.671 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 55.6 m-20 -105.06 -1.66 25.37 Favored 'General case' 0 N--CA 1.48 1.07 0 CA-C-N 118.831 0.741 . . . . 0.0 111.817 -179.555 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 54.67 21.39 21.73 Favored Glycine 0 N--CA 1.482 1.752 0 C-N-CA 121.245 -0.502 . . . . 0.0 112.272 179.719 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 62.9 m-20 -116.84 -16.14 10.62 Favored 'General case' 0 N--CA 1.495 1.807 0 C-N-CA 123.604 0.762 . . . . 0.0 112.773 -176.812 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.408 ' NE2' ' OD1' ' A' ' 44' ' ' ASP . 3.3 pm0 -122.64 173.56 7.64 Favored 'General case' 0 N--CA 1.488 1.43 0 CA-C-O 121.916 0.865 . . . . 0.0 110.961 -178.247 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 89.4 mt-10 -76.23 149.1 37.25 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 113.907 -1.497 . . . . 0.0 108.908 179.111 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.1 mp -89.16 120.19 30.33 Favored 'General case' 0 CA--C 1.54 0.596 0 CA-C-O 121.632 0.73 . . . . 0.0 109.374 -176.854 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 91.6 m -79.35 164.81 23.75 Favored 'General case' 0 CA--C 1.493 -1.238 0 CA-C-N 114.549 -1.205 . . . . 0.0 108.295 -176.887 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 74.9 mt-10 -65.79 -54.41 27.29 Favored 'General case' 0 C--N 1.305 -1.329 0 CA-C-N 113.479 -1.691 . . . . 0.0 110.492 -178.186 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 42.3 m80 -56.18 -50.76 70.29 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 120.205 -0.598 . . . . 0.0 110.41 -173.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -64.18 -49.39 72.23 Favored 'General case' 0 CA--C 1.537 0.464 0 N-CA-C 110.207 -0.294 . . . . 0.0 110.207 179.341 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 42.3 t-80 -59.1 -50.96 72.05 Favored 'General case' 0 CA--C 1.546 0.822 0 CA-C-N 116.554 -0.293 . . . . 0.0 111.115 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -61.88 -34.32 75.81 Favored 'General case' 0 CA--C 1.549 0.914 0 CA-C-N 118.107 0.412 . . . . 0.0 110.972 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 65.4 tp60 -63.69 -54.26 38.37 Favored 'General case' 0 N--CA 1.479 1.006 0 CA-C-O 121.196 0.522 . . . . 0.0 110.353 -178.441 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 35.1 mmt -61.34 -34.63 75.6 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-O 121.0 0.428 . . . . 0.0 109.99 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 69.1 ttp85 -58.85 -47.79 83.61 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 115.877 -0.602 . . . . 0.0 109.661 -178.722 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 75.0 m-20 -61.31 -38.4 86.72 Favored 'General case' 0 CA--C 1.538 0.508 0 N-CA-C 109.797 -0.445 . . . . 0.0 109.797 179.466 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 64.5 m-20 -66.58 -40.09 88.76 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.444 179.148 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 44.6 tp -61.01 -49.24 78.23 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 116.803 -0.181 . . . . 0.0 110.738 -179.158 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 70.6 mm-40 -56.94 -43.55 81.64 Favored 'General case' 0 CA--C 1.551 0.986 0 N-CA-C 109.789 -0.449 . . . . 0.0 109.789 -179.328 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -62.77 -44.1 97.07 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 122.737 0.415 . . . . 0.0 111.223 178.114 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 65.7 mm-40 -66.41 -45.51 79.72 Favored 'General case' 0 N--CA 1.482 1.168 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 179.746 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 77.3 mtp180 -54.46 -42.54 70.75 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 122.233 0.213 . . . . 0.0 110.577 179.28 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 74.9 tt0 -62.46 -65.82 0.63 Allowed 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 179.578 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 58.0 m-20 -53.0 -41.43 64.64 Favored 'General case' 0 N--CA 1.478 0.955 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.815 -179.699 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 59.9 tp -62.52 -39.11 92.5 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.585 179.766 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -59.22 -50.46 73.94 Favored 'General case' 0 N--CA 1.483 1.196 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 -178.857 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 10.5 mp -69.79 93.68 0.76 Allowed 'General case' 0 CA--C 1.541 0.611 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 179.231 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -62.56 138.79 58.56 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 178.796 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 71.6 m80 -64.07 -50.36 68.69 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-O 120.844 0.354 . . . . 0.0 110.403 -179.375 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 96.5 p -71.86 86.22 0.97 Allowed 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 115.789 -0.642 . . . . 0.0 109.438 179.331 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 91.3 p -64.61 -27.41 68.92 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 116.055 -0.52 . . . . 0.0 109.696 179.399 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 69.8 mt -69.07 143.93 94.86 Favored Pre-proline 0 CA--C 1.562 1.421 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.297 -178.244 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 81.1 Cg_endo . . . . . 0 N--CA 1.511 2.554 0 C-N-CA 121.905 1.737 . . . . 0.0 110.585 179.421 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 81.9 m-20 . . . . . 0 N--CA 1.489 1.509 0 N-CA-C 108.874 -0.788 . . . . 0.0 108.874 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 26.2 m -62.51 -43.28 99.2 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-O 120.875 0.369 . . . . 0.0 110.496 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 34.6 m -79.62 23.24 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.517 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 21.2 p-10 -72.24 44.56 0.12 Allowed 'General case' 0 N--CA 1.479 1.015 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 178.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -76.06 56.73 1.03 Allowed 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.426 ' C ' ' H ' ' A' ' 8' ' ' GLU . 17.8 tt -74.18 -29.73 25.56 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 CA-C-N 116.002 -0.545 . . . . 0.0 109.632 179.146 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 84.4 p -68.15 11.09 0.17 Allowed 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.52 -179.404 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.426 ' H ' ' C ' ' A' ' 6' ' ' ILE . 77.3 tt0 -64.5 -45.94 85.1 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-O 120.641 0.258 . . . . 0.0 110.684 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 78.7 p -70.71 -45.97 63.97 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 110.117 -0.327 . . . . 0.0 110.117 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 19.7 mt -58.98 -29.66 67.37 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.151 -179.419 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.622 HH22 HH22 ' A' ' 60' ' ' ARG . 57.5 ttt85 -58.29 -41.11 83.69 Favored 'General case' 0 N--CA 1.47 0.531 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 -179.687 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 53.14 -124.32 2.28 Favored 'General case' 0 CA--C 1.559 1.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.055 179.626 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 75.88 15.74 81.13 Favored Glycine 0 C--N 1.345 1.082 0 N-CA-C 111.07 -0.812 . . . . 0.0 111.07 179.758 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -80.92 4.81 68.4 Favored Glycine 0 N--CA 1.471 1.018 0 N-CA-C 110.817 -0.913 . . . . 0.0 110.817 179.37 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 68.05 -73.4 0.28 Allowed Glycine 0 CA--C 1.53 1.018 0 N-CA-C 110.916 -0.874 . . . . 0.0 110.916 -179.515 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -84.91 113.33 21.32 Favored 'General case' 0 N--CA 1.485 1.278 0 N-CA-C 107.891 -1.152 . . . . 0.0 107.891 179.407 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.449 HD22 HD21 ' A' ' 22' ' ' LEU . 11.2 mt -151.88 139.2 19.39 Favored 'General case' 0 C--O 1.216 -0.679 0 O-C-N 123.892 0.745 . . . . 0.0 109.732 -179.453 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.404 ' O ' ' N ' ' A' ' 21' ' ' GLU . 2.3 p-10 -141.48 145.47 35.25 Favored 'General case' 0 C--N 1.316 -0.85 0 N-CA-C 107.041 -1.466 . . . . 0.0 107.041 178.769 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 32.1 p90 -32.6 -32.29 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 124.865 1.266 . . . . 0.0 113.888 -177.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -70.64 -45.77 64.56 Favored 'General case' 0 C--O 1.213 -0.853 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 -177.773 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.404 ' N ' ' O ' ' A' ' 18' ' ' ASN . 70.1 mm-40 -59.47 -39.91 85.2 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 115.196 -0.911 . . . . 0.0 110.12 179.756 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.449 HD21 HD22 ' A' ' 17' ' ' LEU . 66.5 mt -74.77 -47.99 27.98 Favored 'General case' 0 N--CA 1.48 1.035 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.591 178.411 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 33.2 ttm180 -62.28 -53.85 49.13 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.69 -0.687 . . . . 0.0 110.454 -178.244 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 50.2 mm-40 -60.22 -37.57 80.73 Favored 'General case' 0 CA--C 1.504 -0.803 0 CA-C-N 115.262 -0.881 . . . . 0.0 112.282 -176.691 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -72.3 -49.17 36.58 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-O 121.357 0.599 . . . . 0.0 110.208 175.679 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 45.0 mt -63.19 -32.22 73.56 Favored 'General case' 0 N--CA 1.492 1.643 0 CA-C-N 114.42 -1.263 . . . . 0.0 112.061 -176.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 32.8 ttmt -55.16 -45.67 75.73 Favored 'General case' 0 CA--C 1.558 1.252 0 C-N-CA 120.235 -0.586 . . . . 0.0 110.734 178.566 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -62.21 -29.41 72.89 Favored Glycine 0 CA--C 1.532 1.15 0 CA-C-N 115.861 -0.609 . . . . 0.0 112.872 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -70.9 7.32 1.19 Allowed 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 122.644 0.378 . . . . 0.0 111.772 -178.34 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 70.68 11.48 69.05 Favored Glycine 0 N--CA 1.47 0.907 0 N-CA-C 111.287 -0.725 . . . . 0.0 111.287 176.78 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -66.85 161.62 23.48 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 -179.76 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 68.4 p -89.94 159.72 16.78 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 115.663 -0.698 . . . . 0.0 109.933 -176.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 17.3 p-10 -57.8 -44.26 86.2 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 116.567 -0.288 . . . . 0.0 110.684 179.739 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.32 -46.69 87.89 Favored 'General case' 0 N--CA 1.475 0.776 0 O-C-N 123.559 0.537 . . . . 0.0 110.24 -179.638 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.459 ' O ' HD13 ' A' ' 39' ' ' ILE . 72.2 mm-40 -70.06 -46.82 64.16 Favored 'General case' 0 N--CA 1.47 0.565 0 O-C-N 121.59 -0.694 . . . . 0.0 110.421 -178.111 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 83.3 mt -56.56 -50.05 75.04 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.669 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.646 -177.023 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -62.73 -41.1 99.02 Favored 'General case' 0 C--N 1.346 0.425 0 CA-C-O 120.912 0.386 . . . . 0.0 111.411 -177.795 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.49 -45.37 83.87 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 115.403 -0.817 . . . . 0.0 112.115 -178.496 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.459 HD13 ' O ' ' A' ' 35' ' ' GLU . 1.5 mp -62.59 -46.68 95.79 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.882 0 C-N-CA 120.317 -0.553 . . . . 0.0 111.564 -175.118 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -67.44 -42.0 83.86 Favored 'General case' 0 C--O 1.214 -0.804 0 CA-C-O 121.784 0.802 . . . . 0.0 109.765 -179.199 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 11.4 m -58.59 -44.28 89.77 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-N 114.743 -1.117 . . . . 0.0 110.992 -176.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 62.0 tttp -65.89 -48.52 71.22 Favored 'General case' 0 N--CA 1.442 -0.873 0 C-N-CA 120.302 -0.559 . . . . 0.0 109.776 -179.268 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -71.74 -31.11 66.33 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 120.277 -0.569 . . . . 0.0 110.666 -177.405 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -105.66 106.99 17.75 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 -179.718 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.432 ' NE2' ' OE1' ' A' ' 55' ' ' GLU . 1.7 mp0 -63.57 -51.64 64.5 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-O 119.116 -0.468 . . . . 0.0 111.803 -176.736 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 64.9 m-20 -106.91 -2.52 21.2 Favored 'General case' 0 N--CA 1.484 1.246 0 CA-C-N 118.844 0.747 . . . . 0.0 111.379 178.023 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 48.89 24.45 4.33 Favored Glycine 0 N--CA 1.484 1.84 0 N-CA-C 112.137 -0.385 . . . . 0.0 112.137 -178.134 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -118.25 -20.46 8.56 Favored 'General case' 0 N--CA 1.489 1.517 0 C-N-CA 123.485 0.714 . . . . 0.0 112.378 -178.835 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -120.16 168.97 10.67 Favored 'General case' 0 N--CA 1.488 1.439 0 C-N-CA 123.314 0.646 . . . . 0.0 110.481 -177.293 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -76.63 147.82 37.32 Favored 'General case' 0 C--O 1.233 0.236 0 C-N-CA 124.117 0.967 . . . . 0.0 109.779 179.253 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 19.6 mt -91.12 118.36 30.36 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 121.352 0.596 . . . . 0.0 110.046 -176.617 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.7 t -80.36 -178.05 6.45 Favored 'General case' 0 CA--C 1.496 -1.122 0 CA-C-N 114.917 -1.038 . . . . 0.0 108.834 -177.389 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 88.5 mt-10 -69.22 -56.1 8.61 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 114.19 -1.368 . . . . 0.0 110.302 -178.131 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -54.01 -50.29 66.96 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 120.079 -0.648 . . . . 0.0 110.099 -174.018 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.432 ' OE1' ' NE2' ' A' ' 45' ' ' GLN . 70.8 mm-40 -59.02 -52.71 64.6 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 177.799 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 21.5 t-80 -58.47 -53.83 53.91 Favored 'General case' 0 CA--C 1.55 0.967 0 N-CA-C 111.905 0.335 . . . . 0.0 111.905 179.771 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -58.73 -34.52 71.44 Favored 'General case' 0 N--CA 1.473 0.709 0 O-C-N 122.457 -0.152 . . . . 0.0 111.12 -178.702 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -66.87 -54.5 21.69 Favored 'General case' 0 CA--C 1.544 0.728 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 33.5 mmt -61.82 -36.05 80.0 Favored 'General case' 0 C--N 1.352 0.712 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 -179.477 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.622 HH22 HH22 ' A' ' 11' ' ' ARG . 76.6 ttt180 -59.69 -49.35 78.07 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 119.452 -0.899 . . . . 0.0 109.641 -179.531 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -60.07 -36.87 78.3 Favored 'General case' 0 N--CA 1.477 0.88 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 -179.079 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -66.09 -36.79 84.14 Favored 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 178.867 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.4 tp -62.57 -49.95 73.25 Favored 'General case' 0 C--N 1.343 0.319 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.276 -179.589 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 72.0 mt-10 -57.39 -43.43 83.66 Favored 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 109.735 -0.468 . . . . 0.0 109.735 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 57.2 mttp -57.84 -39.04 76.75 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 122.329 0.252 . . . . 0.0 111.118 179.417 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -48.95 -32.52 9.23 Favored 'General case' 0 N--CA 1.486 1.332 0 CA-C-O 121.746 0.784 . . . . 0.0 110.354 -179.114 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -56.59 -47.3 79.86 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 114.127 -1.397 . . . . 0.0 110.034 -178.22 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 78.7 tt0 -67.3 -45.18 77.31 Favored 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 179.72 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 58.4 m-20 -64.48 -15.67 61.17 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.689 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 5.8 tp -62.52 -34.75 77.52 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.813 -179.108 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -71.88 -44.56 63.54 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 115.866 -0.607 . . . . 0.0 109.741 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 61.7 mt -63.89 -40.81 97.4 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.504 179.638 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -64.05 87.33 0.04 OUTLIER 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 179.457 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 54.4 t-80 -64.92 -42.25 94.88 Favored 'General case' 0 N--CA 1.466 0.357 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 46.0 t 52.48 84.68 0.05 OUTLIER 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.144 -179.346 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 93.1 p -59.44 -32.51 70.28 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.263 -178.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 10.9 mp -65.1 153.14 89.84 Favored Pre-proline 0 CA--C 1.56 1.336 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.686 -178.706 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 74.6 Cg_exo . . . . . 0 N--CA 1.515 2.766 0 C-N-CA 122.759 2.306 . . . . 0.0 113.114 177.949 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 24.5 p-10 . . . . . 0 N--CA 1.494 1.757 0 N-CA-C 108.515 -0.921 . . . . 0.0 108.515 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 23.6 m -63.28 -45.06 93.22 Favored 'General case' 0 N--CA 1.48 1.073 0 CA-C-O 120.721 0.296 . . . . 0.0 110.406 178.833 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 49.4 t -65.32 -52.47 51.76 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.095 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.281 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 61.3 m-20 -84.99 110.33 18.83 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -70.36 87.73 0.63 Allowed 'General case' 0 CA--C 1.541 0.597 0 N-CA-C 109.454 -0.572 . . . . 0.0 109.454 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 36.5 pt -71.12 -19.86 21.26 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.008 0 CA-C-N 116.307 -0.406 . . . . 0.0 109.94 179.809 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 41.3 t -59.85 -14.27 14.41 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.382 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 74.4 mt-10 -68.11 -38.26 82.08 Favored 'General case' 0 CA--C 1.547 0.829 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.339 178.782 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 87.3 p -63.36 -51.35 66.27 Favored 'General case' 0 N--CA 1.483 1.195 0 CA-C-O 120.522 0.201 . . . . 0.0 111.419 -179.263 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 10.1 mp -62.26 -41.47 98.48 Favored 'General case' 0 N--CA 1.483 1.191 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 179.696 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.458 ' O ' ' N ' ' A' ' 13' ' ' GLY . 40.2 ttm180 -59.84 -52.49 65.21 Favored 'General case' 0 N--CA 1.477 0.876 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 179.829 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.431 ' HG2' HD13 ' A' ' 17' ' ' LEU . 60.8 tp60 54.51 -81.6 0.01 OUTLIER 'General case' 0 CA--C 1.554 1.126 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.967 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 11' ' ' ARG . . . 67.23 16.52 67.01 Favored Glycine 0 N--CA 1.474 1.195 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 178.833 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -85.47 -8.37 80.89 Favored Glycine 0 N--CA 1.473 1.14 0 N-CA-C 111.08 -0.808 . . . . 0.0 111.08 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 82.03 -67.53 3.66 Favored Glycine 0 N--CA 1.479 1.51 0 N-CA-C 111.161 -0.776 . . . . 0.0 111.161 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 57.3 mtpt -72.63 108.42 5.64 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 179.049 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.446 HD11 ' HB3' ' A' ' 22' ' ' LEU . 23.7 tp -148.93 130.69 15.07 Favored 'General case' 0 CA--C 1.532 0.257 0 N-CA-C 108.223 -1.028 . . . . 0.0 108.223 -179.805 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.464 ' ND2' ' CE1' ' A' ' 19' ' ' PHE . 6.5 p-10 -152.56 163.12 40.22 Favored 'General case' 0 N--CA 1.465 0.317 0 N-CA-C 107.742 -1.207 . . . . 0.0 107.742 179.288 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.464 ' CE1' ' ND2' ' A' ' 18' ' ' ASN . 28.6 p90 -32.14 -44.42 0.09 Allowed 'General case' 0 C--O 1.191 -2.019 0 O-C-N 124.544 1.153 . . . . 0.0 112.658 -178.634 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -72.68 -45.25 59.79 Favored 'General case' 0 N--CA 1.479 1.014 0 CA-C-N 118.302 0.501 . . . . 0.0 111.659 -178.537 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -63.15 -47.06 84.29 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-N 116.025 -0.534 . . . . 0.0 112.166 -176.096 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.446 ' HB3' HD11 ' A' ' 17' ' ' LEU . 1.7 pp -76.67 -46.84 24.11 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 112.834 0.679 . . . . 0.0 112.834 179.514 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.2 ttt180 -62.75 -53.03 60.63 Favored 'General case' 0 N--CA 1.487 1.403 0 CA-C-O 120.929 0.395 . . . . 0.0 111.746 -174.84 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 -58.16 -34.33 70.18 Favored 'General case' 0 CA--C 1.512 -0.496 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.955 -178.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -71.25 -47.89 54.36 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.341 0.591 . . . . 0.0 110.366 177.132 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 24.4 mt -62.12 -31.39 71.85 Favored 'General case' 0 N--CA 1.496 1.831 0 CA-C-N 114.38 -1.282 . . . . 0.0 111.821 -176.443 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 32.6 ttmt -55.45 -44.3 76.23 Favored 'General case' 0 CA--C 1.553 1.068 0 CA-C-O 121.355 0.597 . . . . 0.0 109.557 178.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -61.98 -35.62 91.67 Favored Glycine 0 CA--C 1.538 1.469 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.884 179.014 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -70.37 -0.28 7.89 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 123.02 0.528 . . . . 0.0 111.022 -178.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 71.68 19.53 78.01 Favored Glycine 0 N--CA 1.474 1.176 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.74 178.134 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -66.64 162.75 20.4 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-N 117.553 0.677 . . . . 0.0 109.771 178.827 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 54.1 p -96.18 160.31 14.5 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-N 115.593 -0.73 . . . . 0.0 109.505 -177.01 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -59.97 -40.57 89.55 Favored 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 110.383 -0.229 . . . . 0.0 110.383 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.09 -47.22 86.05 Favored 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.459 ' O ' HD13 ' A' ' 39' ' ' ILE . 72.5 mt-10 -68.36 -46.03 71.19 Favored 'General case' 0 N--CA 1.472 0.668 0 O-C-N 121.72 -0.613 . . . . 0.0 110.542 -177.833 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 85.5 mt -59.76 -50.59 79.48 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.799 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.682 -177.234 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -63.04 -42.55 99.76 Favored 'General case' 0 C--N 1.351 0.65 0 CA-C-O 121.93 0.871 . . . . 0.0 111.741 -177.349 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.1 -44.98 82.8 Favored 'General case' 0 CA--C 1.552 1.027 0 CA-C-N 115.289 -0.869 . . . . 0.0 111.307 -179.448 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.459 HD13 ' O ' ' A' ' 35' ' ' GLU . 1.2 mp -61.52 -46.88 95.65 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.551 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.521 -173.46 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -67.92 -41.58 82.4 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-O 121.655 0.74 . . . . 0.0 111.264 -179.541 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 15.4 m -59.35 -45.81 90.37 Favored 'General case' 0 C--O 1.238 0.486 0 CA-C-N 114.231 -1.35 . . . . 0.0 111.279 -175.384 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 60.3 mttp -68.66 -49.66 57.31 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.053 -179.13 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 -74.84 -32.47 61.94 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 120.075 -0.65 . . . . 0.0 111.796 -177.21 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -103.06 109.66 21.3 Favored 'General case' 0 N--CA 1.484 1.251 0 N-CA-C 107.099 -1.445 . . . . 0.0 107.099 177.61 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -62.54 -51.04 68.98 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-O 119.121 -0.466 . . . . 0.0 111.504 -175.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 27.0 t0 -106.43 -2.05 22.52 Favored 'General case' 0 N--CA 1.484 1.237 0 CA-C-N 118.564 0.62 . . . . 0.0 111.193 178.4 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 53.25 22.34 14.33 Favored Glycine 0 N--CA 1.477 1.368 0 C-N-CA 121.296 -0.478 . . . . 0.0 112.58 -179.148 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -118.06 -8.95 10.63 Favored 'General case' 0 N--CA 1.492 1.644 0 C-N-CA 123.705 0.802 . . . . 0.0 111.508 -178.689 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -124.76 163.14 22.76 Favored 'General case' 0 N--CA 1.483 1.192 0 CA-C-O 121.553 0.692 . . . . 0.0 110.242 -177.028 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -75.73 147.78 39.07 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 114.486 -1.234 . . . . 0.0 108.44 179.601 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.4 tp -90.77 119.8 31.28 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-O 121.732 0.777 . . . . 0.0 109.701 -177.507 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.2 t -80.71 -179.64 7.35 Favored 'General case' 0 CA--C 1.494 -1.191 0 CA-C-N 114.349 -1.296 . . . . 0.0 109.805 -177.409 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -70.01 -52.78 21.42 Favored 'General case' 0 N--CA 1.435 -1.216 0 CA-C-N 113.43 -1.713 . . . . 0.0 110.724 -177.429 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 93.0 m-70 -54.15 -50.62 66.54 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 120.398 -0.521 . . . . 0.0 110.452 -174.142 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 77.3 mt-10 -61.96 -40.44 95.58 Favored 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 177.864 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.414 ' CE1' ' O ' ' A' ' 11' ' ' ARG . 17.5 t60 -63.73 -48.78 75.69 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.297 179.578 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 10.2 mm-40 -53.17 -42.58 66.33 Favored 'General case' 0 N--CA 1.489 1.491 0 CA-C-N 118.004 0.365 . . . . 0.0 111.782 -178.667 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -62.97 -49.67 73.78 Favored 'General case' 0 N--CA 1.48 1.031 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 178.797 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.4 ' SD ' ' N ' ' A' ' 60' ' ' ARG . 0.7 OUTLIER -59.28 -42.94 92.43 Favored 'General case' 0 C--N 1.347 0.479 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 179.144 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.4 ' N ' ' SD ' ' A' ' 59' ' ' MET . 67.8 ttp85 -59.49 -48.4 81.81 Favored 'General case' 0 C--N 1.353 0.719 0 C-N-CA 120.44 -0.504 . . . . 0.0 110.01 -177.831 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 74.8 m-20 -61.05 -36.57 79.93 Favored 'General case' 0 CA--C 1.536 0.436 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 179.167 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 58.2 m-20 -68.97 -37.88 79.03 Favored 'General case' 0 C--N 1.345 0.401 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 179.759 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 50.5 tp -61.05 -50.39 73.51 Favored 'General case' 0 C--N 1.35 0.6 0 C-N-CA 121.05 -0.26 . . . . 0.0 110.366 -179.283 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 76.2 tt0 -57.31 -44.22 83.95 Favored 'General case' 0 CA--C 1.552 1.02 0 CA-C-O 120.947 0.404 . . . . 0.0 110.193 -179.616 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 28.4 mmtp -62.21 -45.41 93.49 Favored 'General case' 0 CA--C 1.551 0.981 0 CA-C-N 115.965 -0.562 . . . . 0.0 111.307 179.32 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 92.3 mt-10 -64.92 -43.41 92.9 Favored 'General case' 0 N--CA 1.479 0.984 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 178.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 57.1 mtp85 -53.78 -44.6 70.21 Favored 'General case' 0 N--CA 1.481 1.117 0 N-CA-C 110.657 -0.127 . . . . 0.0 110.657 179.413 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 78.0 tt0 -61.99 -65.46 0.69 Allowed 'General case' 0 N--CA 1.479 0.975 0 N-CA-C 109.859 -0.422 . . . . 0.0 109.859 179.4 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -52.06 -40.82 61.7 Favored 'General case' 0 N--CA 1.481 1.121 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.709 -179.413 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 58.8 tp -63.13 -40.34 97.32 Favored 'General case' 0 N--CA 1.48 1.03 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.57 179.363 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -57.6 -51.76 68.2 Favored 'General case' 0 N--CA 1.482 1.172 0 CA-C-O 120.902 0.382 . . . . 0.0 110.758 -178.079 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 10.6 mp -65.36 -43.55 90.48 Favored 'General case' 0 CA--C 1.551 1.0 0 CA-C-N 115.802 -0.635 . . . . 0.0 109.861 179.072 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 65.1 m-20 -77.63 84.16 3.99 Favored 'General case' 0 N--CA 1.479 0.99 0 N-CA-C 109.3 -0.629 . . . . 0.0 109.3 179.765 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 72.6 m80 -62.37 -47.15 85.42 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.711 -179.707 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 94.6 p -70.04 147.96 49.42 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 115.54 -0.755 . . . . 0.0 109.408 178.81 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 45.9 t -62.22 -41.89 98.81 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.244 179.768 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.59 149.92 81.54 Favored Pre-proline 0 CA--C 1.557 1.222 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.032 -179.155 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_endo . . . . . 0 N--CA 1.513 2.619 0 C-N-CA 121.719 1.613 . . . . 0.0 110.659 178.114 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 4.6 p30 . . . . . 0 N--CA 1.493 1.722 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 21.6 m -63.76 -51.44 64.85 Favored 'General case' 0 N--CA 1.477 0.897 0 CA-C-O 120.816 0.341 . . . . 0.0 111.094 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 35.5 m -64.86 -37.68 80.81 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.218 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -167.63 156.4 9.61 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.895 179.549 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 -73.31 93.32 1.89 Allowed 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.519 179.202 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 16.6 tt -64.64 -27.57 42.84 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 CA-C-O 121.332 0.587 . . . . 0.0 109.828 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 53.3 m -55.19 -22.92 19.3 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.104 -179.648 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 74.4 mt-10 -73.96 -42.46 60.48 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 122.233 0.213 . . . . 0.0 110.713 178.353 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 95.7 p -61.3 -47.97 83.52 Favored 'General case' 0 N--CA 1.482 1.147 0 CA-C-O 120.67 0.272 . . . . 0.0 110.809 -179.234 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 59.8 mt -61.75 -43.89 97.96 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.31 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.475 ' O ' ' N ' ' A' ' 13' ' ' GLY . 78.5 mtp180 -66.39 -53.69 32.96 Favored 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 110.202 -0.296 . . . . 0.0 110.202 179.62 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 67.4 tp60 56.79 -74.56 0.02 OUTLIER 'General case' 0 CA--C 1.546 0.823 0 O-C-N 124.087 0.867 . . . . 0.0 110.73 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 11' ' ' ARG . . . 79.3 16.62 77.94 Favored Glycine 0 C--N 1.341 0.861 0 N-CA-C 110.701 -0.96 . . . . 0.0 110.701 179.505 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -77.32 -19.3 76.9 Favored Glycine 0 N--CA 1.471 1.001 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 179.766 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 96.23 -30.49 8.57 Favored Glycine 0 N--CA 1.483 1.817 0 N-CA-C 111.289 -0.725 . . . . 0.0 111.289 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 45.5 mtmt -120.08 127.77 52.86 Favored 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 123.314 0.646 . . . . 0.0 109.589 179.324 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.5 mt -138.49 110.83 7.42 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 -178.183 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -129.66 139.14 51.46 Favored 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 107.634 -1.247 . . . . 0.0 107.634 179.374 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 40.3 p90 -31.17 -33.88 0.01 OUTLIER 'General case' 0 C--O 1.197 -1.68 0 O-C-N 124.651 1.22 . . . . 0.0 113.018 -178.381 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -74.11 -45.87 46.32 Favored 'General case' 0 N--CA 1.478 0.926 0 CA-C-O 121.349 0.595 . . . . 0.0 112.509 -178.622 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.71 -45.9 92.44 Favored 'General case' 0 N--CA 1.484 1.228 0 CA-C-O 121.871 0.844 . . . . 0.0 111.523 -175.031 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.487 HD12 ' N ' ' A' ' 23' ' ' ARG . 2.7 pp -75.92 -47.23 26.09 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 113.681 -1.599 . . . . 0.0 111.75 -179.711 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.487 ' N ' HD12 ' A' ' 22' ' ' LEU . 5.1 ttt180 -59.39 -51.01 71.74 Favored 'General case' 0 N--CA 1.477 0.904 0 CA-C-O 120.959 0.409 . . . . 0.0 110.97 -177.618 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -58.37 -34.68 70.96 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.878 -179.713 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -70.96 -47.93 56.21 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-O 120.951 0.405 . . . . 0.0 110.367 177.188 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 41.4 mt -61.93 -31.45 71.77 Favored 'General case' 0 N--CA 1.501 2.121 0 CA-C-N 114.602 -1.181 . . . . 0.0 112.028 -176.622 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 34.4 ttpt -55.87 -44.89 78.51 Favored 'General case' 0 CA--C 1.554 1.123 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 178.561 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -61.81 -34.36 88.46 Favored Glycine 0 CA--C 1.535 1.331 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.914 179.239 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -70.6 2.31 4.2 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 122.918 0.487 . . . . 0.0 111.3 -179.114 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 71.46 19.86 77.96 Favored Glycine 0 N--CA 1.475 1.26 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 177.658 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -67.58 162.99 22.23 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 117.637 0.719 . . . . 0.0 110.216 179.202 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 72.3 p -94.04 159.5 15.13 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 115.282 -0.872 . . . . 0.0 109.639 -177.156 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 -60.57 -41.57 94.89 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.275 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.58 -46.87 87.67 Favored 'General case' 0 N--CA 1.476 0.862 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 -179.643 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.437 ' O ' HD13 ' A' ' 39' ' ' ILE . 72.2 mm-40 -68.26 -48.02 66.15 Favored 'General case' 0 N--CA 1.474 0.744 0 O-C-N 121.55 -0.719 . . . . 0.0 110.448 -178.166 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 82.7 mt -56.85 -50.44 75.22 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.867 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.737 -177.154 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -62.77 -42.07 99.52 Favored 'General case' 0 C--N 1.352 0.677 0 CA-C-O 121.55 0.691 . . . . 0.0 111.044 -177.547 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.4 -45.74 89.63 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 115.432 -0.804 . . . . 0.0 111.786 -178.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.437 HD13 ' O ' ' A' ' 35' ' ' GLU . 1.4 mp -61.69 -46.83 95.7 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.881 0 N-CA-C 112.016 0.376 . . . . 0.0 112.016 -175.195 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.406 ' CB ' HD11 ' A' ' 22' ' ' LEU . 0.6 OUTLIER -67.66 -41.05 84.37 Favored 'General case' 0 C--O 1.21 -1.003 0 CA-C-O 121.881 0.848 . . . . 0.0 109.773 -179.685 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 32.2 m -59.46 -46.45 88.74 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 114.93 -1.032 . . . . 0.0 111.287 -177.139 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -70.0 -48.38 58.38 Favored 'General case' 0 N--CA 1.44 -0.974 0 C-N-CA 120.526 -0.469 . . . . 0.0 109.979 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.467 ' OH ' HD23 ' A' ' 63' ' ' LEU . 13.0 m-85 -70.77 -30.17 66.59 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 120.527 -0.469 . . . . 0.0 110.915 -176.105 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -114.98 108.33 16.56 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 108.134 -1.062 . . . . 0.0 108.134 179.539 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 18.4 mm-40 -60.62 -50.85 71.85 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-O 118.932 -0.556 . . . . 0.0 111.943 -177.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 38.3 t0 -106.31 -2.15 22.61 Favored 'General case' 0 C--N 1.365 1.267 0 CA-C-N 118.835 0.743 . . . . 0.0 111.09 178.672 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 51.52 22.01 7.35 Favored Glycine 0 N--CA 1.48 1.592 0 CA-C-O 119.753 -0.471 . . . . 0.0 112.49 -179.177 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 48.3 m-20 -117.59 -13.44 10.26 Favored 'General case' 0 N--CA 1.491 1.62 0 C-N-CA 123.506 0.723 . . . . 0.0 111.763 -178.427 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.1 pp0? -123.82 158.63 31.36 Favored 'General case' 0 N--CA 1.493 1.705 0 C-N-CA 123.291 0.636 . . . . 0.0 110.956 -178.002 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -76.19 148.36 37.78 Favored 'General case' 0 C--N 1.349 0.564 0 C-N-CA 124.483 1.113 . . . . 0.0 109.567 179.056 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 19.4 mt -91.07 117.69 29.8 Favored 'General case' 0 N--CA 1.481 1.12 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.725 -177.076 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 4.7 t -80.22 -177.85 6.3 Favored 'General case' 0 CA--C 1.489 -1.377 0 N-CA-C 108.466 -0.939 . . . . 0.0 108.466 -177.103 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 72.4 mt-10 -61.52 -60.31 3.89 Favored 'General case' 0 C--N 1.311 -1.088 0 CA-C-N 114.804 -1.089 . . . . 0.0 110.894 -178.209 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 81.8 t60 -54.59 -50.81 67.12 Favored 'General case' 0 N--CA 1.485 1.303 0 C-N-CA 120.15 -0.62 . . . . 0.0 109.937 -174.684 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -59.95 -50.42 73.83 Favored 'General case' 0 C--O 1.215 -0.713 0 CA-C-N 118.327 0.512 . . . . 0.0 109.896 178.585 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 54.2 t-80 -59.59 -52.14 66.81 Favored 'General case' 0 CA--C 1.549 0.909 0 N-CA-C 112.044 0.387 . . . . 0.0 112.044 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 4.9 mp0 -62.82 -34.27 76.96 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 118.007 0.367 . . . . 0.0 111.161 -179.277 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 56.5 mm-40 -63.38 -54.58 34.63 Favored 'General case' 0 N--CA 1.482 1.154 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 179.682 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 34.0 mmt -61.86 -36.95 82.76 Favored 'General case' 0 C--N 1.353 0.748 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 57.1 ttp180 -60.43 -49.42 77.63 Favored 'General case' 0 CA--C 1.552 1.043 0 C-N-CA 118.972 -1.091 . . . . 0.0 110.17 -179.316 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -60.74 -40.59 92.97 Favored 'General case' 0 N--CA 1.475 0.825 0 CA-C-O 121.289 0.566 . . . . 0.0 110.422 -179.122 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 65.2 m-20 -61.03 -40.06 92.16 Favored 'General case' 0 C--O 1.218 -0.579 0 CA-C-N 115.058 -0.974 . . . . 0.0 108.711 178.36 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.467 HD23 ' OH ' ' A' ' 43' ' ' TYR . 0.2 OUTLIER -61.61 -49.29 77.19 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.916 -178.728 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 78.9 tt0 -57.0 -45.42 83.01 Favored 'General case' 0 CA--C 1.551 0.997 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -57.65 -45.16 85.84 Favored 'General case' 0 N--CA 1.48 1.043 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.793 179.302 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -71.66 -35.0 70.2 Favored 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 178.554 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 33.7 ttm180 -53.17 -43.17 66.87 Favored 'General case' 0 C--N 1.357 0.932 0 C-N-CA 122.614 0.365 . . . . 0.0 111.04 -178.794 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -59.63 -65.82 0.61 Allowed 'General case' 0 N--CA 1.481 1.1 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 179.743 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -52.36 -37.91 57.4 Favored 'General case' 0 N--CA 1.479 0.992 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.519 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 61.1 tp -61.27 -42.56 98.85 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.706 -179.176 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 68.9 m-20 -60.05 -50.71 72.66 Favored 'General case' 0 N--CA 1.48 1.064 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.101 -178.496 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 10.6 mp -65.46 -42.11 92.66 Favored 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 179.248 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -68.68 90.56 0.41 Allowed 'General case' 0 N--CA 1.477 0.911 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 52.1 m80 -71.39 -17.79 62.39 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.474 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 68.7 p 50.95 21.88 1.07 Allowed 'General case' 0 N--CA 1.472 0.647 0 CA-C-O 121.172 0.511 . . . . 0.0 110.967 -179.485 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 94.0 p -68.62 -7.43 32.91 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 115.225 -0.898 . . . . 0.0 110.3 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 11.0 mp -65.56 151.72 93.94 Favored Pre-proline 0 CA--C 1.561 1.392 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.309 -178.136 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_endo . . . . . 0 N--CA 1.505 2.202 0 C-N-CA 122.218 1.946 . . . . 0.0 110.395 179.086 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 79.8 m-20 . . . . . 0 N--CA 1.492 1.641 0 N-CA-C 109.103 -0.702 . . . . 0.0 109.103 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 20.1 m -61.71 -46.21 90.67 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-O 120.677 0.275 . . . . 0.0 110.584 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 49.9 t -62.02 -46.5 96.35 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 CA-C-N 116.125 -0.489 . . . . 0.0 109.698 -179.619 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -72.81 81.75 1.16 Allowed 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 15.9 p-10 -73.45 109.16 6.75 Favored 'General case' 0 CA--C 1.54 0.586 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 179.452 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 41.1 pt -67.96 -21.81 27.32 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.491 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 58.8 m -63.47 -6.08 4.54 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.669 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 78.2 tt0 -68.36 -40.97 81.32 Favored 'General case' 0 N--CA 1.471 0.602 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 179.372 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 62.5 m -61.67 -43.01 99.66 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.999 -179.583 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.42 ' N ' HD12 ' A' ' 10' ' ' LEU . 9.0 mp -62.84 -43.54 98.52 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 116.167 -0.47 . . . . 0.0 109.992 -179.163 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.498 ' O ' ' N ' ' A' ' 13' ' ' GLY . 37.7 ttm180 -71.32 -54.77 9.68 Favored 'General case' 0 C--N 1.349 0.565 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 -178.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 54.59 -76.95 0.01 OUTLIER 'General case' 0 CA--C 1.551 0.986 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.873 -179.496 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.498 ' N ' ' O ' ' A' ' 11' ' ' ARG . . . 78.5 16.61 79.12 Favored Glycine 0 C--N 1.342 0.865 0 N-CA-C 110.644 -0.982 . . . . 0.0 110.644 179.657 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -79.27 -7.7 88.29 Favored Glycine 0 N--CA 1.469 0.866 0 N-CA-C 111.125 -0.79 . . . . 0.0 111.125 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 82.03 -70.42 3.14 Favored Glycine 0 N--CA 1.475 1.282 0 N-CA-C 110.694 -0.962 . . . . 0.0 110.694 -179.666 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 41.6 mtmt -73.58 110.94 8.26 Favored 'General case' 0 N--CA 1.465 0.281 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 179.528 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.8 tp -147.39 129.4 15.43 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 -178.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.426 ' O ' ' N ' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -139.13 151.07 46.36 Favored 'General case' 0 N--CA 1.476 0.855 0 N-CA-C 107.882 -1.155 . . . . 0.0 107.882 -179.834 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 38.4 p90 -31.09 -35.18 0.01 OUTLIER 'General case' 0 N--CA 1.479 1.005 0 O-C-N 124.452 1.095 . . . . 0.0 112.07 -179.089 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -73.98 -45.51 49.59 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 112.41 0.522 . . . . 0.0 112.41 179.331 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.426 ' N ' ' O ' ' A' ' 18' ' ' ASN . 38.4 mt-10 -60.43 -45.05 95.05 Favored 'General case' 0 N--CA 1.481 1.12 0 CA-C-O 121.241 0.543 . . . . 0.0 112.35 -176.358 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.4 HD12 ' N ' ' A' ' 23' ' ' ARG . 1.6 pp -75.31 -47.14 29.17 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.324 -0.853 . . . . 0.0 111.165 178.617 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.4 ' N ' HD12 ' A' ' 22' ' ' LEU . 51.6 ttp180 -59.22 -51.72 68.79 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-O 120.992 0.425 . . . . 0.0 112.001 -176.729 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 54.1 mm-40 -56.71 -35.82 68.95 Favored 'General case' 0 C--N 1.313 -0.989 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.311 -177.236 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -71.69 -48.34 48.06 Favored 'General case' 0 N--CA 1.445 -0.7 0 CA-C-O 121.485 0.66 . . . . 0.0 110.408 175.208 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 23.3 mt -64.15 -33.17 75.18 Favored 'General case' 0 N--CA 1.492 1.639 0 CA-C-N 114.748 -1.114 . . . . 0.0 111.67 -176.269 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.4 ttmm -54.66 -45.93 73.94 Favored 'General case' 0 CA--C 1.551 0.997 0 CA-C-O 121.63 0.729 . . . . 0.0 109.549 178.468 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -61.11 -35.78 91.34 Favored Glycine 0 CA--C 1.535 1.303 0 CA-C-N 115.109 -0.95 . . . . 0.0 111.489 178.705 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -70.0 -1.17 8.97 Favored 'General case' 0 N--CA 1.482 1.174 0 CA-C-O 121.041 0.448 . . . . 0.0 111.071 -179.37 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 72.17 19.58 78.65 Favored Glycine 0 N--CA 1.464 0.524 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.706 177.56 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -66.33 162.84 19.38 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 117.826 0.813 . . . . 0.0 109.407 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 46.1 p -94.58 161.09 14.35 Favored 'General case' 0 CA--C 1.506 -0.723 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.642 -176.425 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 14.8 p-10 -60.56 -40.37 91.4 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.261 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.76 -47.39 85.89 Favored 'General case' 0 C--N 1.352 0.694 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.479 ' O ' HD13 ' A' ' 39' ' ' ILE . 95.5 mt-10 -68.64 -44.58 73.88 Favored 'General case' 0 N--CA 1.471 0.611 0 O-C-N 121.525 -0.734 . . . . 0.0 110.488 -177.449 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 83.3 mt -60.88 -50.64 79.72 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.632 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.818 -177.692 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -61.59 -41.54 97.58 Favored 'General case' 0 C--N 1.354 0.767 0 CA-C-O 121.737 0.78 . . . . 0.0 111.306 -176.131 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.56 -44.97 80.87 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.02 -0.991 . . . . 0.0 110.987 -179.355 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.479 HD13 ' O ' ' A' ' 35' ' ' GLU . 1.2 mp -61.59 -47.96 90.96 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.085 0 C-N-CA 120.561 -0.456 . . . . 0.0 111.841 -173.87 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -67.56 -42.78 82.07 Favored 'General case' 0 CA--C 1.506 -0.73 0 CA-C-O 121.702 0.763 . . . . 0.0 110.51 -178.614 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 14.6 m -58.37 -45.32 88.49 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 113.792 -1.549 . . . . 0.0 111.287 -176.073 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 60.5 tttp -68.2 -49.74 58.79 Favored 'General case' 0 N--CA 1.441 -0.894 0 C-N-CA 120.037 -0.665 . . . . 0.0 110.766 -177.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.42 ' O ' HD13 ' A' ' 51' ' ' LEU . 9.7 m-85 -74.63 -32.42 62.3 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 120.112 -0.635 . . . . 0.0 111.509 -177.018 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -103.89 110.03 22.01 Favored 'General case' 0 N--CA 1.479 1.002 0 N-CA-C 106.749 -1.574 . . . . 0.0 106.749 178.817 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 15.6 mm-40 -63.83 -50.54 68.48 Favored 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 112.302 0.482 . . . . 0.0 112.302 -176.009 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 63.6 m-20 -106.19 -2.07 22.9 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-N 118.791 0.723 . . . . 0.0 110.918 178.837 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 50.64 21.75 5.05 Favored Glycine 0 N--CA 1.476 1.344 0 C-N-CA 121.711 -0.28 . . . . 0.0 112.921 -178.212 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -117.62 -8.7 10.89 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 123.475 0.71 . . . . 0.0 111.828 -179.05 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -127.25 165.26 19.98 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 123.156 0.582 . . . . 0.0 110.177 -177.811 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 86.7 mt-10 -75.65 147.82 39.2 Favored 'General case' 0 N--CA 1.448 -0.553 0 C-N-CA 123.99 0.916 . . . . 0.0 108.877 179.483 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.42 HD13 ' O ' ' A' ' 43' ' ' TYR . 42.6 tp -90.64 121.8 32.87 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-O 121.394 0.616 . . . . 0.0 109.937 -177.788 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.3 t -80.3 178.67 8.13 Favored 'General case' 0 CA--C 1.49 -1.337 0 CA-C-N 114.84 -1.073 . . . . 0.0 109.032 -177.861 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.508 ' O ' ' NE2' ' A' ' 57' ' ' GLN . 14.9 pt-20 -76.72 -49.77 15.22 Favored 'General case' 0 N--CA 1.431 -1.377 0 CA-C-N 113.079 -1.873 . . . . 0.0 110.532 -177.301 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 85.8 t60 -53.93 -50.9 65.41 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 119.884 -0.727 . . . . 0.0 109.866 -174.58 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 91.4 mt-10 -61.38 -46.44 90.16 Favored 'General case' 0 C--O 1.219 -0.533 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 177.576 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 23.9 t-80 -56.76 -50.13 73.19 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 121.014 -0.274 . . . . 0.0 111.251 -179.639 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.508 ' NE2' ' O ' ' A' ' 53' ' ' GLU . 1.2 mp0 -53.12 -41.09 64.7 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 120.7 -0.4 . . . . 0.0 111.223 -179.375 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 83.3 mt-30 -63.57 -53.74 46.96 Favored 'General case' 0 N--CA 1.48 1.028 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 179.644 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 36.4 mmt -60.16 -36.73 78.21 Favored 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 122.822 0.449 . . . . 0.0 110.222 179.559 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 69.2 ttp85 -59.66 -48.83 80.13 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 120.046 -0.662 . . . . 0.0 109.695 -178.41 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 74.7 m-20 -60.58 -36.62 78.98 Favored 'General case' 0 C--N 1.346 0.456 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 59.7 m-20 -67.69 -37.59 82.5 Favored 'General case' 0 C--N 1.342 0.26 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 179.186 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.5 tt -59.99 -50.11 75.02 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.674 -179.074 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 71.4 mt-10 -57.22 -44.1 83.44 Favored 'General case' 0 CA--C 1.55 0.971 0 N-CA-C 110.098 -0.334 . . . . 0.0 110.098 178.796 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -62.35 -46.26 89.46 Favored 'General case' 0 N--CA 1.478 0.972 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.854 179.386 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 69.6 mt-10 -65.69 -37.41 86.37 Favored 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 110.102 -0.333 . . . . 0.0 110.102 179.291 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 32.0 ttm180 -49.5 -26.28 3.29 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-O 120.753 0.311 . . . . 0.0 111.328 -179.419 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 70.0 mm-40 -73.68 -64.23 1.04 Allowed 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 109.457 -0.572 . . . . 0.0 109.457 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 60.9 m-20 -62.52 -17.12 59.12 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.516 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 56.9 tp -64.16 -41.56 97.11 Favored 'General case' 0 N--CA 1.478 0.934 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.163 179.611 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 66.3 m-20 -61.56 -36.75 81.51 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.242 -178.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -71.81 85.71 0.94 Allowed 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.622 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 -76.99 106.38 8.64 Favored 'General case' 0 CA--C 1.535 0.385 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 178.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 25.4 p-80 -69.73 -18.68 63.53 Favored 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 87.3 p -79.47 -5.51 54.92 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.444 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 47.2 t -61.02 -41.98 97.59 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-O 120.617 0.246 . . . . 0.0 111.15 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.15 151.53 63.34 Favored Pre-proline 0 CA--C 1.555 1.156 0 CA-C-O 118.693 -0.67 . . . . 0.0 109.748 -179.571 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_exo . . . . . 0 N--CA 1.516 2.848 0 C-N-CA 122.568 2.179 . . . . 0.0 113.121 177.297 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 74.9 m-20 . . . . . 0 N--CA 1.491 1.582 0 N-CA-C 109.168 -0.679 . . . . 0.0 109.168 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.9 t -62.39 -10.5 11.58 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.826 179.55 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 14.5 p -61.01 -34.18 58.86 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 CA-C-O 121.001 0.429 . . . . 0.0 110.41 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 66.4 m-20 -63.95 155.81 29.77 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 115.551 -0.749 . . . . 0.0 109.783 179.733 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 15.2 p-10 -164.74 33.17 0.07 Allowed 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 -178.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 61.5 mt -65.9 -42.5 92.11 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 179.755 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 69.3 m -60.11 -4.19 0.74 Allowed 'General case' 0 N--CA 1.472 0.665 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.541 -179.635 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 76.9 tt0 -71.32 -43.62 66.7 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 110.195 -0.298 . . . . 0.0 110.195 178.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 95.1 p -63.79 -47.44 80.91 Favored 'General case' 0 N--CA 1.48 1.046 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.059 -179.08 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 29.1 mt -61.58 -42.94 99.58 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.799 -179.435 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.486 ' O ' ' N ' ' A' ' 13' ' ' GLY . 70.7 ttt-85 -63.81 -53.86 44.17 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 115.894 -0.593 . . . . 0.0 109.827 -179.768 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.547 HE22 HD21 ' A' ' 17' ' ' LEU . 48.2 tt0 58.42 -71.73 0.02 OUTLIER 'General case' 0 CA--C 1.546 0.807 0 O-C-N 124.386 1.054 . . . . 0.0 110.57 -179.675 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.486 ' N ' ' O ' ' A' ' 11' ' ' ARG . . . 101.37 -7.3 56.24 Favored Glycine 0 N--CA 1.476 1.32 0 N-CA-C 110.765 -0.934 . . . . 0.0 110.765 179.479 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.9 -50.65 57.11 Favored Glycine 0 CA--C 1.53 0.969 0 N-CA-C 110.654 -0.978 . . . . 0.0 110.654 179.15 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 107.8 -71.55 0.21 Allowed Glycine 0 N--CA 1.483 1.81 0 N-CA-C 110.418 -1.073 . . . . 0.0 110.418 -179.435 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.8 mtpm? -65.78 126.78 29.54 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 179.743 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.547 HD21 HE22 ' A' ' 12' ' ' GLN . 7.4 mt -154.1 133.72 12.87 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 -179.176 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.482 HD22 ' HE1' ' A' ' 19' ' ' PHE . 23.0 t-20 -123.27 139.88 53.59 Favored 'General case' 0 C--N 1.332 -0.176 0 N-CA-C 107.299 -1.371 . . . . 0.0 107.299 178.426 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.482 ' HE1' HD22 ' A' ' 18' ' ' ASN . 54.4 p90 -31.01 -37.82 0.02 OUTLIER 'General case' 0 C--O 1.205 -1.289 0 C-N-CA 123.942 0.897 . . . . 0.0 112.566 -177.449 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -72.59 -45.2 60.27 Favored 'General case' 0 N--CA 1.479 1.017 0 CA-C-O 121.143 0.497 . . . . 0.0 112.033 179.193 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.41 ' N ' ' O ' ' A' ' 18' ' ' ASN . 63.7 mm-40 -60.09 -47.85 84.16 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 112.702 0.63 . . . . 0.0 112.702 -177.439 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.518 ' HB3' HD22 ' A' ' 17' ' ' LEU . 1.8 pp -75.58 -47.01 28.55 Favored 'General case' 0 C--N 1.313 -0.989 0 CA-C-N 115.686 -0.688 . . . . 0.0 112.153 178.445 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.415 ' N ' HD12 ' A' ' 22' ' ' LEU . 7.2 ttt85 -60.63 -52.49 64.91 Favored 'General case' 0 N--CA 1.485 1.311 0 CA-C-O 121.448 0.642 . . . . 0.0 112.292 -175.6 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 64.8 mm-40 -60.0 -34.17 72.97 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 115.084 -0.962 . . . . 0.0 111.93 -177.481 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 -71.69 -48.0 50.31 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.828 176.109 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 26.3 mt -62.14 -31.39 71.87 Favored 'General case' 0 N--CA 1.494 1.735 0 CA-C-N 115.249 -0.887 . . . . 0.0 111.541 -177.611 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.1 ttmm -54.89 -45.5 74.69 Favored 'General case' 0 CA--C 1.557 1.225 0 CA-C-O 121.101 0.477 . . . . 0.0 109.796 178.732 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -62.06 -34.07 87.79 Favored Glycine 0 CA--C 1.534 1.224 0 CA-C-N 115.505 -0.77 . . . . 0.0 111.911 179.482 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -70.63 2.8 3.66 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 123.025 0.53 . . . . 0.0 111.279 -178.792 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 71.3 19.89 77.8 Favored Glycine 0 N--CA 1.468 0.79 0 N-CA-C 111.288 -0.725 . . . . 0.0 111.288 177.222 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -67.9 162.51 24.05 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 117.465 0.632 . . . . 0.0 109.828 179.567 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 70.4 p -92.23 158.84 15.92 Favored 'General case' 0 C--O 1.217 -0.645 0 CA-C-N 115.694 -0.684 . . . . 0.0 109.725 -177.013 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 -61.93 -43.35 99.03 Favored 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 110.201 -0.296 . . . . 0.0 110.201 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.18 -46.65 87.84 Favored 'General case' 0 N--CA 1.47 0.572 0 O-C-N 123.429 0.456 . . . . 0.0 110.057 -179.521 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 67.5 mm-40 -67.71 -47.1 70.33 Favored 'General case' 0 N--CA 1.471 0.593 0 O-C-N 121.524 -0.735 . . . . 0.0 110.426 -178.259 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 81.4 mt -58.51 -50.3 79.33 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.82 0 CA-C-N 115.582 -0.735 . . . . 0.0 111.148 -177.469 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -64.2 -40.52 96.24 Favored 'General case' 0 C--N 1.35 0.587 0 CA-C-O 121.948 0.88 . . . . 0.0 111.454 -177.407 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.58 -44.76 81.35 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 115.024 -0.989 . . . . 0.0 110.759 -179.181 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.2 mp -61.43 -46.74 95.97 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.993 0 N-CA-C 112.303 0.483 . . . . 0.0 112.303 -173.308 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -68.27 -40.78 81.79 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.896 0.855 . . . . 0.0 110.825 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 15.8 m -59.11 -44.79 92.0 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 114.464 -1.243 . . . . 0.0 111.158 -175.712 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -67.94 -49.56 61.07 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.012 -179.212 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.428 ' CG ' ' SD ' ' A' ' 59' ' ' MET . 14.7 m-85 -73.87 -31.5 63.19 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 120.377 -0.529 . . . . 0.0 111.275 -177.643 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -106.61 104.56 14.27 Favored 'General case' 0 N--CA 1.48 1.049 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 178.234 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 11.8 mm100 -60.49 -50.32 74.04 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 116.07 -0.514 . . . . 0.0 112.06 -176.223 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 64.1 m-20 -104.8 -1.53 25.99 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-N 118.369 0.531 . . . . 0.0 111.208 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 54.29 20.98 17.74 Favored Glycine 0 N--CA 1.477 1.411 0 CA-C-O 119.985 -0.342 . . . . 0.0 112.306 -178.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -118.79 -11.5 9.77 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 123.585 0.754 . . . . 0.0 111.853 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.5 pp0? -117.73 152.33 35.49 Favored 'General case' 0 N--CA 1.481 1.119 0 CA-C-O 121.618 0.723 . . . . 0.0 111.324 -177.292 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 70.3 mt-10 -76.65 148.48 36.87 Favored 'General case' 0 C--O 1.235 0.311 0 C-N-CA 124.866 1.266 . . . . 0.0 108.599 178.548 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 84.7 mt -90.33 117.56 29.14 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-O 121.711 0.767 . . . . 0.0 109.683 -176.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.0 t -80.0 -178.17 6.36 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-N 114.65 -1.159 . . . . 0.0 108.824 -176.633 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 71.2 mt-10 -63.97 -58.74 5.82 Favored 'General case' 0 C--N 1.311 -1.069 0 CA-C-N 114.262 -1.335 . . . . 0.0 110.581 -178.065 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -54.12 -50.07 67.74 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 119.975 -0.69 . . . . 0.0 109.882 -174.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 41.3 tp10 -60.28 -48.5 81.46 Favored 'General case' 0 CA--C 1.535 0.377 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 178.658 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -61.93 -50.37 72.43 Favored 'General case' 0 CA--C 1.546 0.819 0 O-C-N 123.552 0.532 . . . . 0.0 111.72 -179.365 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -63.26 -34.44 77.68 Favored 'General case' 0 CA--C 1.547 0.858 0 O-C-N 121.505 -0.747 . . . . 0.0 111.267 -179.069 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 62.7 mt-30 -62.02 -55.18 31.86 Favored 'General case' 0 N--CA 1.484 1.241 0 N-CA-C 110.035 -0.358 . . . . 0.0 110.035 -179.739 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.428 ' SD ' ' CG ' ' A' ' 43' ' ' TYR . 14.1 ptm -62.11 -34.48 76.41 Favored 'General case' 0 C--N 1.343 0.312 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 179.164 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 58.2 ttp180 -59.33 -48.41 81.72 Favored 'General case' 0 C--N 1.365 1.271 0 C-N-CA 119.8 -0.76 . . . . 0.0 109.494 -175.489 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 75.7 m-20 -60.16 -36.05 76.7 Favored 'General case' 0 C--O 1.222 -0.359 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 178.705 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -69.63 -38.11 77.07 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 179.722 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 6.2 tp -62.75 -50.46 70.99 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.142 -178.752 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 74.2 mt-10 -57.68 -45.65 85.33 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-O 121.454 0.645 . . . . 0.0 109.967 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 56.0 mtpt -56.58 -38.4 71.95 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.201 179.668 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.63 -43.83 85.13 Favored 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 109.465 -0.569 . . . . 0.0 109.465 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 80.8 mtm180 -57.26 -54.58 45.16 Favored 'General case' 0 N--CA 1.479 0.976 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.791 -176.423 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -67.92 -30.61 69.97 Favored 'General case' 0 N--CA 1.48 1.065 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.294 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -69.9 -47.75 61.3 Favored 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 108.96 -0.756 . . . . 0.0 108.96 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 6.5 tp -57.17 -45.06 83.99 Favored 'General case' 0 N--CA 1.482 1.169 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.344 -177.344 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 65.9 m-20 -58.11 -58.72 7.21 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.73 179.189 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 59.0 tp -56.44 -46.98 80.03 Favored 'General case' 0 N--CA 1.477 0.905 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.053 -179.078 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 76.4 m-20 -74.18 84.22 1.85 Allowed 'General case' 0 N--CA 1.466 0.362 0 N-CA-C 109.06 -0.718 . . . . 0.0 109.06 179.814 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 83.7 t60 -65.45 -45.67 82.89 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-O 121.137 0.494 . . . . 0.0 109.857 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 45.9 t -166.9 171.39 11.3 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.725 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 49.2 m -162.02 12.02 0.08 Allowed 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.572 -179.749 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 11.0 mp -63.31 150.66 88.91 Favored Pre-proline 0 CA--C 1.559 1.303 0 CA-C-O 119.574 -0.251 . . . . 0.0 110.513 -178.086 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_endo . . . . . 0 N--CA 1.506 2.257 0 C-N-CA 122.103 1.869 . . . . 0.0 110.431 179.296 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 22.0 p30 . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 71.6 p -63.76 -34.02 76.96 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.287 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 22.5 t -66.48 84.76 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 179.706 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 49.7 p-10 -144.75 172.27 13.24 Favored 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 -179.748 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 16.8 p-10 -66.23 123.09 18.99 Favored 'General case' 0 CA--C 1.544 0.738 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.073 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 33.4 pt -132.65 -28.26 0.63 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.27 0 C-N-CA 123.48 0.712 . . . . 0.0 110.091 -179.745 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 59.1 m -64.62 -21.21 66.66 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-O 120.903 0.383 . . . . 0.0 110.479 179.724 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -68.52 -35.12 77.04 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.3 179.524 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 47.4 m -60.33 -48.44 81.72 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-O 120.623 0.249 . . . . 0.0 110.661 -179.48 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 33.3 mt -62.54 -43.38 98.95 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.974 179.487 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.434 ' O ' ' N ' ' A' ' 13' ' ' GLY . 57.9 ttm-85 -63.71 -52.87 58.63 Favored 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 -179.729 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 59.5 tp60 61.89 -70.76 0.05 OUTLIER 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 115.106 -0.952 . . . . 0.0 110.195 -179.704 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 11' ' ' ARG . . . 69.81 -1.56 15.67 Favored Glycine 0 N--CA 1.469 0.877 0 N-CA-C 110.712 -0.955 . . . . 0.0 110.712 179.563 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.67 -34.4 89.8 Favored Glycine 0 C--N 1.339 0.717 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 179.671 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 99.56 -73.79 0.49 Allowed Glycine 0 N--CA 1.472 1.07 0 N-CA-C 110.288 -1.125 . . . . 0.0 110.288 -179.542 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 45.5 mmtm -80.85 125.47 30.14 Favored 'General case' 0 N--CA 1.477 0.894 0 CA-C-O 121.093 0.473 . . . . 0.0 110.539 179.764 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.5 pp -161.33 150.1 16.05 Favored 'General case' 0 N--CA 1.437 -1.125 0 CA-C-N 115.24 -0.891 . . . . 0.0 109.384 179.433 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.419 ' O ' ' N ' ' A' ' 21' ' ' GLU . 2.5 p-10 -133.06 144.58 50.11 Favored 'General case' 0 C--N 1.318 -0.763 0 C-N-CA 124.011 0.924 . . . . 0.0 108.984 179.23 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 43.0 p90 -31.28 -33.23 0.01 OUTLIER 'General case' 0 C--O 1.202 -1.446 0 C-N-CA 124.243 1.017 . . . . 0.0 112.649 -178.744 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -73.52 -44.88 56.61 Favored 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 111.869 0.322 . . . . 0.0 111.869 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.419 ' N ' ' O ' ' A' ' 18' ' ' ASN . 0.0 OUTLIER -60.44 -45.64 92.92 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-O 121.3 0.571 . . . . 0.0 111.52 -175.477 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.411 HD12 ' N ' ' A' ' 23' ' ' ARG . 2.2 pp -76.72 -47.04 23.1 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.069 -0.969 . . . . 0.0 111.427 -179.559 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.411 ' N ' HD12 ' A' ' 22' ' ' LEU . 4.9 ttt180 -59.88 -50.01 75.47 Favored 'General case' 0 N--CA 1.477 0.91 0 CA-C-N 116.4 -0.363 . . . . 0.0 111.328 -176.11 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -56.16 -35.0 66.69 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.71 -178.704 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -72.18 -48.69 41.37 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 123.554 0.742 . . . . 0.0 112.906 177.862 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 47.7 mt -61.35 -31.24 71.12 Favored 'General case' 0 N--CA 1.483 1.206 0 CA-C-N 115.137 -0.938 . . . . 0.0 111.035 -176.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 31.6 ttmt -55.39 -45.0 76.64 Favored 'General case' 0 CA--C 1.548 0.89 0 CA-C-O 121.408 0.623 . . . . 0.0 109.509 178.532 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -62.03 -35.49 91.52 Favored Glycine 0 CA--C 1.53 0.972 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.353 179.616 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt -70.39 1.46 4.97 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 121.022 0.439 . . . . 0.0 110.991 -179.107 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 71.82 19.87 78.38 Favored Glycine 0 N--CA 1.465 0.585 0 CA-C-N 115.516 -0.766 . . . . 0.0 111.916 177.844 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -67.59 162.36 23.65 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 118.094 0.947 . . . . 0.0 109.94 179.169 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 63.0 p -92.82 160.84 14.76 Favored 'General case' 0 CA--C 1.506 -0.726 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.631 -177.045 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 15.6 p-10 -60.52 -41.26 94.04 Favored 'General case' 0 N--CA 1.463 0.205 0 N-CA-C 110.162 -0.31 . . . . 0.0 110.162 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.72 -47.16 86.75 Favored 'General case' 0 CA--C 1.539 0.521 0 O-C-N 123.497 0.498 . . . . 0.0 109.968 -179.774 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.466 ' O ' HD13 ' A' ' 39' ' ' ILE . 75.8 mt-10 -67.61 -47.9 68.36 Favored 'General case' 0 N--CA 1.472 0.636 0 O-C-N 121.568 -0.707 . . . . 0.0 110.349 -178.329 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 79.5 mt -57.82 -50.62 77.08 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.841 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.9 -176.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -64.77 -42.11 95.36 Favored 'General case' 0 C--N 1.351 0.656 0 CA-C-O 121.78 0.8 . . . . 0.0 111.762 -177.023 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.93 -44.6 88.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.421 -0.809 . . . . 0.0 111.242 -179.052 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.466 HD13 ' O ' ' A' ' 35' ' ' GLU . 1.2 mp -61.5 -47.33 93.92 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.694 0 C-N-CA 120.257 -0.577 . . . . 0.0 112.315 -173.426 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -67.51 -41.77 83.92 Favored 'General case' 0 CA--C 1.507 -0.691 0 CA-C-O 122.221 1.01 . . . . 0.0 110.707 -179.405 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 24.0 m -59.73 -43.97 93.98 Favored 'General case' 0 N--CA 1.442 -0.84 0 CA-C-N 113.391 -1.731 . . . . 0.0 111.124 -177.26 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 61.0 tttp -65.73 -50.11 66.0 Favored 'General case' 0 N--CA 1.442 -0.86 0 C-N-CA 119.587 -0.845 . . . . 0.0 110.402 -178.06 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.475 ' OH ' HD13 ' A' ' 63' ' ' LEU . 29.8 m-85 -73.82 -32.72 63.85 Favored 'General case' 0 C--N 1.356 0.863 0 C-N-CA 118.994 -1.082 . . . . 0.0 110.583 -177.506 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -100.77 103.86 15.1 Favored 'General case' 0 N--CA 1.487 1.421 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 178.788 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 11.8 mm100 -60.97 -50.75 72.12 Favored 'General case' 0 C--O 1.239 0.542 0 N-CA-C 112.665 0.617 . . . . 0.0 112.665 -175.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 65.6 m-20 -105.82 -2.34 23.23 Favored 'General case' 0 N--CA 1.485 1.304 0 CA-C-N 119.028 0.831 . . . . 0.0 111.401 179.246 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 45.85 31.64 4.14 Favored Glycine 0 N--CA 1.482 1.738 0 C-N-CA 121.88 -0.2 . . . . 0.0 113.261 -179.679 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -115.42 -15.08 11.56 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 123.24 0.616 . . . . 0.0 111.568 -178.084 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -132.07 173.94 10.7 Favored 'General case' 0 N--CA 1.484 1.263 0 CA-C-O 121.37 0.605 . . . . 0.0 110.819 -178.368 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 67.4 mt-10 -75.47 147.58 39.74 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 179.784 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 19.6 tp -90.55 121.9 32.89 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 -177.162 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 6.6 t -80.01 179.91 7.35 Favored 'General case' 0 CA--C 1.499 -0.998 0 CA-C-N 115.228 -0.896 . . . . 0.0 109.987 -177.007 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 72.5 mt-10 -75.25 -50.97 14.43 Favored 'General case' 0 N--CA 1.44 -0.96 0 CA-C-N 113.497 -1.683 . . . . 0.0 110.646 -178.138 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 84.3 t60 -54.61 -50.63 67.6 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 119.858 -0.737 . . . . 0.0 109.76 -174.323 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 90.0 mt-10 -60.94 -50.71 72.31 Favored 'General case' 0 C--O 1.219 -0.53 0 CA-C-N 118.327 0.512 . . . . 0.0 109.742 178.099 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 73.9 t60 -59.96 -53.76 54.1 Favored 'General case' 0 CA--C 1.547 0.839 0 N-CA-C 112.422 0.527 . . . . 0.0 112.422 -178.633 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.0 mp0 -56.78 -39.99 75.08 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 118.442 0.565 . . . . 0.0 111.877 -178.732 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 81.8 mt-30 -63.25 -54.17 41.54 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 179.675 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 34.3 mmt -63.95 -34.71 78.6 Favored 'General case' 0 C--N 1.346 0.423 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 179.626 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 59.2 ttp180 -59.1 -48.2 82.47 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 119.572 -0.851 . . . . 0.0 109.667 -178.526 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -60.51 -36.32 78.07 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-O 121.512 0.672 . . . . 0.0 109.904 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 48.6 m-20 -68.43 -39.81 81.4 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 114.853 -1.067 . . . . 0.0 109.086 178.613 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.475 HD13 ' OH ' ' A' ' 43' ' ' TYR . 40.7 tp -59.73 -48.53 81.31 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.423 -179.284 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -56.93 -44.26 82.28 Favored 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 31.1 tptt -59.83 -42.85 94.45 Favored 'General case' 0 CA--C 1.546 0.793 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.597 179.142 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -65.72 -44.49 85.88 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-N 116.117 -0.492 . . . . 0.0 109.869 179.593 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -53.49 -44.39 68.99 Favored 'General case' 0 N--CA 1.48 1.068 0 N-CA-C 110.623 -0.14 . . . . 0.0 110.623 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 79.1 tt0 -62.53 -65.51 0.68 Allowed 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 179.702 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -52.21 -44.07 64.57 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.71 -179.385 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 61.6 tp -60.04 -40.52 89.65 Favored 'General case' 0 N--CA 1.478 0.945 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.099 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -60.43 -54.12 49.37 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-O 120.879 0.371 . . . . 0.0 110.125 -178.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 65.2 mt -65.16 -43.32 92.15 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.387 179.504 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 66.4 m-20 -77.77 41.08 0.33 Allowed 'General case' 0 N--CA 1.475 0.823 0 CA-C-O 121.201 0.524 . . . . 0.0 109.798 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.405 ' O ' ' N ' ' A' ' 76' ' ' SER . 74.1 t60 -156.23 -65.73 0.11 Allowed 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.849 179.8 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 68.4 m 55.78 -83.04 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.904 0 O-C-N 123.348 0.405 . . . . 0.0 110.685 -178.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.423 ' H ' ' H ' ' A' ' 77' ' ' LEU . 95.9 p -162.28 -2.59 0.04 OUTLIER 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 116.082 -0.508 . . . . 0.0 109.704 179.08 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.423 ' H ' ' H ' ' A' ' 76' ' ' SER . 54.9 mt -68.88 144.34 95.7 Favored Pre-proline 0 CA--C 1.556 1.205 0 CA-C-O 118.873 -0.584 . . . . 0.0 110.975 -178.428 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo . . . . . 0 N--CA 1.511 2.547 0 C-N-CA 122.032 1.821 . . . . 0.0 110.906 179.606 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 55.2 t30 . . . . . 0 N--CA 1.493 1.71 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 71.5 p -61.42 -10.3 7.22 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.642 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 55.8 t -64.16 -44.86 97.63 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 179.185 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -77.51 118.83 20.32 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 -179.745 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 70.7 m-20 -72.39 84.16 1.09 Allowed 'General case' 0 CA--C 1.535 0.402 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 16.4 tt -60.89 -34.95 61.51 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 CA-C-O 120.89 0.376 . . . . 0.0 110.033 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 96.9 p -64.08 -14.8 57.21 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.934 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -70.33 -37.37 74.67 Favored 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 110.059 -0.348 . . . . 0.0 110.059 179.361 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 79.5 p -60.22 -48.11 83.11 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 116.614 -0.266 . . . . 0.0 110.845 -179.275 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.596 HD12 ' CD2' ' A' ' 43' ' ' TYR . 4.2 mm? -64.01 -44.26 93.15 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 121.104 -0.239 . . . . 0.0 111.178 179.779 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 91.1 mtm180 -71.39 -53.43 14.13 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-O 120.779 0.323 . . . . 0.0 111.042 -178.79 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 9.7 tp-100 -79.52 143.14 35.13 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.51 -178.823 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 69.53 18.18 73.45 Favored Glycine 0 C--N 1.339 0.705 0 N-CA-C 110.593 -1.003 . . . . 0.0 110.593 179.487 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.555 ' O ' ' N ' ' A' ' 16' ' ' LYS . . . -62.63 -115.32 0.01 OUTLIER Glycine 0 CA--C 1.533 1.185 0 N-CA-C 110.521 -1.032 . . . . 0.0 110.521 -179.772 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 51.53 -75.25 0.01 OUTLIER Glycine 0 N--CA 1.479 1.552 0 CA-C-N 117.612 0.706 . . . . 0.0 111.699 -179.484 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.555 ' N ' ' O ' ' A' ' 14' ' ' GLY . 55.7 tttp -120.85 130.09 53.8 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 108.376 -0.972 . . . . 0.0 108.376 176.829 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.437 HD22 ' HB3' ' A' ' 22' ' ' LEU . 9.5 mt -148.1 130.47 15.68 Favored 'General case' 0 N--CA 1.477 0.89 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 179.043 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.467 ' ND2' ' CE2' ' A' ' 19' ' ' PHE . 15.9 t-20 -128.79 141.61 51.25 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 107.473 -1.306 . . . . 0.0 107.473 178.046 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.467 ' CE2' ' ND2' ' A' ' 18' ' ' ASN . 55.3 p90 -30.66 -35.64 0.01 OUTLIER 'General case' 0 C--O 1.207 -1.17 0 O-C-N 124.013 0.821 . . . . 0.0 112.321 -177.092 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -72.9 -45.47 58.01 Favored 'General case' 0 N--CA 1.476 0.855 0 N-CA-C 112.466 0.543 . . . . 0.0 112.466 179.205 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.418 ' N ' ' O ' ' A' ' 18' ' ' ASN . 69.1 mm-40 -59.78 -47.31 86.2 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 112.714 0.635 . . . . 0.0 112.714 -177.741 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.454 HD12 ' N ' ' A' ' 23' ' ' ARG . 2.2 pp -75.71 -46.82 28.97 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 115.529 -0.759 . . . . 0.0 112.659 179.092 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.454 ' N ' HD12 ' A' ' 22' ' ' LEU . 11.3 ttm180 -61.64 -49.99 74.35 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-O 121.335 0.588 . . . . 0.0 111.468 -175.701 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 56.7 mm-40 -61.75 -34.36 75.71 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.595 -178.473 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -71.25 -48.82 48.72 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.698 0.761 . . . . 0.0 110.094 176.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 23.0 mt -63.14 -31.62 72.8 Favored 'General case' 0 N--CA 1.49 1.525 0 CA-C-N 114.521 -1.218 . . . . 0.0 111.463 -177.385 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 34.9 ttpt -55.27 -44.81 75.97 Favored 'General case' 0 CA--C 1.556 1.21 0 CA-C-O 121.214 0.53 . . . . 0.0 110.033 178.767 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -63.48 -33.51 87.44 Favored Glycine 0 CA--C 1.531 1.085 0 CA-C-N 115.916 -0.584 . . . . 0.0 112.055 179.464 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -70.56 6.49 1.4 Allowed 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 122.638 0.375 . . . . 0.0 111.409 -178.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 70.13 19.83 75.97 Favored Glycine 0 N--CA 1.464 0.552 0 N-CA-C 111.518 -0.633 . . . . 0.0 111.518 177.088 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -69.98 162.78 27.44 Favored 'General case' 0 C--N 1.345 0.38 0 CA-C-N 117.752 0.776 . . . . 0.0 109.93 179.523 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 68.3 p -96.3 160.36 14.47 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.067 -177.365 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 15.5 p-10 -61.08 -40.53 94.05 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.408 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.29 -46.6 89.28 Favored 'General case' 0 C--N 1.35 0.609 0 C-N-CA 120.429 -0.508 . . . . 0.0 109.797 -179.69 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.407 ' O ' HD13 ' A' ' 39' ' ' ILE . 71.0 mm-40 -69.14 -48.11 63.27 Favored 'General case' 0 N--CA 1.474 0.732 0 O-C-N 121.574 -0.703 . . . . 0.0 110.39 -178.176 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 81.6 mt -57.72 -50.2 78.27 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.798 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.244 -177.577 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -64.58 -36.96 85.93 Favored 'General case' 0 C--N 1.346 0.449 0 CA-C-O 121.099 0.476 . . . . 0.0 111.047 -178.254 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.94 -45.42 77.87 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.764 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.407 HD13 ' O ' ' A' ' 35' ' ' GLU . 1.4 mp -61.62 -47.04 95.18 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.888 0 C-N-CA 119.927 -0.709 . . . . 0.0 112.063 -175.189 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -67.74 -40.68 84.11 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.175 0.512 . . . . 0.0 109.818 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 14.0 m -59.03 -46.37 88.38 Favored 'General case' 0 C--N 1.345 0.392 0 CA-C-N 115.628 -0.715 . . . . 0.0 111.204 -176.03 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 54.8 mtmt -71.59 -48.61 47.11 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.16 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.596 ' CD2' HD12 ' A' ' 10' ' ' LEU . 15.7 m-85 -71.71 -29.49 64.61 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-O 119.696 -0.193 . . . . 0.0 110.482 -177.811 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.479 ' N ' ' OD1' ' A' ' 44' ' ' ASP . 0.0 OUTLIER -115.69 106.91 14.42 Favored 'General case' 0 N--CA 1.479 0.979 0 N-CA-C 107.988 -1.115 . . . . 0.0 107.988 -178.961 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 22.5 mm-40 -62.06 -50.82 70.46 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 119.2 -0.428 . . . . 0.0 111.992 -176.715 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 66.5 m-20 -106.34 -2.22 22.48 Favored 'General case' 0 N--CA 1.479 0.991 0 CA-C-N 118.48 0.582 . . . . 0.0 111.495 178.57 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 47.66 29.24 5.69 Favored Glycine 0 N--CA 1.478 1.495 0 C-N-CA 121.735 -0.269 . . . . 0.0 112.766 -179.061 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -117.54 -14.58 10.27 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.161 0.584 . . . . 0.0 111.737 -179.037 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.1 pm0 -128.66 177.23 7.18 Favored 'General case' 0 N--CA 1.487 1.412 0 CA-C-O 121.563 0.697 . . . . 0.0 111.588 -177.813 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -75.5 148.31 39.09 Favored 'General case' 0 CA--C 1.528 0.107 0 CA-C-N 114.929 -1.032 . . . . 0.0 109.552 179.249 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 6.1 mt -90.35 120.89 31.85 Favored 'General case' 0 N--CA 1.477 0.898 0 CA-C-O 121.233 0.54 . . . . 0.0 109.707 -176.509 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.3 t -80.57 179.23 7.85 Favored 'General case' 0 CA--C 1.502 -0.902 0 CA-C-N 115.104 -0.953 . . . . 0.0 109.489 -177.392 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -72.64 -53.75 10.96 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-N 113.618 -1.628 . . . . 0.0 111.071 -178.721 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 31.0 t-80 -54.74 -50.4 68.5 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 119.847 -0.741 . . . . 0.0 110.5 -174.409 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -61.59 -50.33 73.01 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 118.301 0.5 . . . . 0.0 110.252 178.496 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 54.5 t-80 -60.62 -51.15 70.62 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 112.37 0.507 . . . . 0.0 112.37 -178.862 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 4.1 mp0 -60.22 -34.2 73.33 Favored 'General case' 0 N--CA 1.475 0.818 0 O-C-N 122.065 -0.397 . . . . 0.0 111.108 -179.458 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 48.4 tt0 -65.4 -54.25 31.47 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 -179.54 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 34.3 mmt -62.84 -34.22 76.88 Favored 'General case' 0 C--N 1.35 0.614 0 N-CA-C 110.139 -0.319 . . . . 0.0 110.139 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 73.4 ttt180 -58.94 -49.04 79.35 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 119.646 -0.821 . . . . 0.0 109.902 -178.545 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 -60.58 -38.09 83.49 Favored 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 109.879 -0.415 . . . . 0.0 109.879 179.588 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 56.4 m-20 -67.02 -40.65 87.29 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.619 178.704 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 6.6 tp -60.07 -49.4 77.8 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.051 -179.146 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -57.99 -44.21 87.01 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 120.848 -0.341 . . . . 0.0 110.155 179.23 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 66.8 mmtt -63.44 -45.55 90.39 Favored 'General case' 0 N--CA 1.476 0.872 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.68 179.448 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -67.16 -44.04 80.77 Favored 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 109.951 -0.388 . . . . 0.0 109.951 179.515 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 37.6 mmm-85 -55.43 -40.14 71.14 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.836 179.705 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 79.7 tt0 -62.79 -65.01 0.75 Allowed 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 179.346 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -56.38 -40.59 74.85 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.85 -179.448 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 61.4 tp -61.4 -40.87 95.96 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-O 120.479 0.181 . . . . 0.0 111.075 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -60.45 -47.61 85.37 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-O 120.858 0.361 . . . . 0.0 110.359 -179.236 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 73.5 mt -63.98 -43.81 94.61 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.835 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -129.5 122.16 28.7 Favored 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 123.154 0.582 . . . . 0.0 109.703 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 47.1 p-80 -58.84 -24.8 62.55 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-O 121.178 0.513 . . . . 0.0 110.658 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 43.9 t -166.13 140.44 4.41 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 115.187 -0.915 . . . . 0.0 110.245 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 47.4 t -62.97 -40.33 97.38 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 120.981 0.42 . . . . 0.0 110.975 179.155 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -69.66 146.77 96.16 Favored Pre-proline 0 CA--C 1.547 0.836 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.861 -178.707 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_endo . . . . . 0 N--CA 1.511 2.51 0 C-N-CA 122.677 2.252 . . . . 0.0 111.329 179.531 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 . . . . . 0 N--CA 1.487 1.393 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 72.4 p -74.88 10.02 1.63 Allowed 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.536 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 48.4 t -63.3 -51.16 74.53 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.011 0 N-CA-C 110.235 -0.283 . . . . 0.0 110.235 -179.439 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -171.48 131.39 0.73 Allowed 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 67.3 m-20 -155.47 31.68 0.37 Allowed 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 179.181 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 36.2 pt -72.44 -19.18 19.23 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 179.07 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 51.6 m -60.86 -17.72 51.9 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.227 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 78.3 mt-10 -66.49 -35.31 79.94 Favored 'General case' 0 CA--C 1.543 0.707 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.388 179.694 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 35.4 t -63.97 -40.6 96.78 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-O 120.861 0.363 . . . . 0.0 111.469 179.82 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 9.4 mp -59.06 -30.05 67.76 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.831 -179.039 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 81.1 mtp180 -59.29 -37.39 77.56 Favored 'General case' 0 N--CA 1.48 1.04 0 CA-C-O 121.082 0.468 . . . . 0.0 110.003 -179.176 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 97.1 mm-40 -67.72 151.95 46.4 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 108.269 -1.011 . . . . 0.0 108.269 178.528 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.405 ' C ' ' H ' ' A' ' 15' ' ' GLY . . . 144.65 18.54 0.19 Allowed Glycine 0 N--CA 1.482 1.76 0 N-CA-C 109.682 -1.367 . . . . 0.0 109.682 -177.216 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -69.62 43.13 0.45 Allowed Glycine 0 CA--C 1.533 1.173 0 N-CA-C 111.479 -0.648 . . . . 0.0 111.479 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.405 ' H ' ' C ' ' A' ' 13' ' ' GLY . . . 70.21 -72.49 0.58 Allowed Glycine 0 N--CA 1.466 0.643 0 N-CA-C 111.541 -0.624 . . . . 0.0 111.541 179.491 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 70.5 mmtt -92.43 117.51 30.0 Favored 'General case' 0 N--CA 1.479 1.017 0 CA-C-O 120.872 0.368 . . . . 0.0 111.116 -179.187 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.0 pp -160.36 150.54 18.17 Favored 'General case' 0 N--CA 1.447 -0.589 0 N-CA-C 108.385 -0.968 . . . . 0.0 108.385 177.203 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.509 ' O ' ' N ' ' A' ' 21' ' ' GLU . 0.8 OUTLIER -138.71 147.37 42.64 Favored 'General case' 0 N--CA 1.477 0.924 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 179.61 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 42.3 p90 -33.0 -29.17 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 124.656 1.182 . . . . 0.0 113.195 -179.042 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.406 ' N ' ' O ' ' A' ' 18' ' ' ASN . 61.0 m-20 -68.88 -45.15 71.72 Favored 'General case' 0 C--O 1.213 -0.861 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 178.111 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.509 ' N ' ' O ' ' A' ' 18' ' ' ASN . 74.1 mm-40 -59.56 -40.69 88.14 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 115.941 -0.572 . . . . 0.0 109.849 179.821 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 84.7 mt -73.78 -48.24 33.01 Favored 'General case' 0 N--CA 1.478 0.955 0 CA-C-O 121.243 0.544 . . . . 0.0 110.551 178.747 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 50.0 ttp85 -61.63 -52.51 64.08 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-N 115.418 -0.81 . . . . 0.0 112.385 -178.536 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 6.8 mm100 -61.66 -38.89 89.41 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-N 115.73 -0.668 . . . . 0.0 112.145 -175.505 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 89.7 m-20 -72.45 -49.52 32.82 Favored 'General case' 0 N--CA 1.445 -0.72 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 174.538 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 56.3 mt -63.95 -33.42 75.69 Favored 'General case' 0 N--CA 1.501 2.114 0 CA-C-N 115.405 -0.816 . . . . 0.0 112.573 -177.214 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.7 ttpp -55.07 -43.9 74.32 Favored 'General case' 0 CA--C 1.562 1.415 0 CA-C-O 121.188 0.518 . . . . 0.0 110.137 177.409 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -62.72 -30.2 76.17 Favored Glycine 0 CA--C 1.538 1.471 0 CA-C-N 116.16 -0.473 . . . . 0.0 113.221 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -73.52 6.85 2.72 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 122.575 0.35 . . . . 0.0 111.413 -178.46 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 71.02 15.83 74.48 Favored Glycine 0 N--CA 1.468 0.809 0 CA-C-N 116.004 -0.544 . . . . 0.0 112.01 177.142 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -67.47 161.99 24.18 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 117.387 0.593 . . . . 0.0 109.526 179.384 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 60.8 p -93.37 163.15 13.71 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 115.547 -0.752 . . . . 0.0 109.851 -177.228 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -59.96 -41.73 92.54 Favored 'General case' 0 C--O 1.232 0.152 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.73 -47.24 86.44 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 120.715 -0.394 . . . . 0.0 109.983 179.685 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -69.26 -45.76 68.92 Favored 'General case' 0 N--CA 1.479 1.012 0 O-C-N 121.345 -0.847 . . . . 0.0 110.582 -177.536 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 85.6 mt -58.83 -50.66 78.62 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.902 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.463 -177.743 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -62.79 -44.41 96.24 Favored 'General case' 0 C--N 1.352 0.682 0 CA-C-O 121.203 0.525 . . . . 0.0 112.239 -177.405 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.7 -44.73 95.48 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 115.018 -0.992 . . . . 0.0 112.296 -179.164 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.3 mp -65.86 -47.34 85.9 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.883 0 C-N-CA 119.676 -0.81 . . . . 0.0 112.02 -174.063 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.445 ' CG ' ' N ' ' A' ' 41' ' ' THR . 0.2 OUTLIER -66.4 -46.09 77.77 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 121.218 0.532 . . . . 0.0 111.373 -178.068 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.445 ' N ' ' CG ' ' A' ' 40' ' ' PHE . 6.0 t -64.44 -35.62 81.5 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-N 114.707 -1.133 . . . . 0.0 112.009 -174.422 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -66.02 -49.91 66.09 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 120.203 -0.599 . . . . 0.0 109.636 -179.407 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 45.0 m-85 -74.51 -33.04 62.71 Favored 'General case' 0 C--N 1.364 1.218 0 C-N-CA 118.685 -1.206 . . . . 0.0 110.101 -178.793 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 -97.96 100.75 12.11 Favored 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 178.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 12.0 mm100 -59.29 -50.81 72.57 Favored 'General case' 0 CA--C 1.545 0.785 0 N-CA-C 112.862 0.69 . . . . 0.0 112.862 -175.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 66.2 m-20 -106.05 -2.59 22.56 Favored 'General case' 0 N--CA 1.49 1.549 0 CA-C-N 119.382 0.992 . . . . 0.0 111.995 178.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 43.35 31.71 1.58 Allowed Glycine 0 N--CA 1.492 2.415 0 CA-C-O 120.791 0.106 . . . . 0.0 113.196 -179.319 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -114.38 -21.38 10.41 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 123.766 0.826 . . . . 0.0 111.844 -178.414 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -127.16 176.59 7.26 Favored 'General case' 0 N--CA 1.493 1.713 0 C-N-CA 123.122 0.569 . . . . 0.0 110.869 -178.553 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 20.4 mp0 -75.91 146.88 39.39 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 18.9 tp -91.71 121.72 33.61 Favored 'General case' 0 N--CA 1.48 1.07 0 CA-C-O 120.976 0.417 . . . . 0.0 110.357 -177.114 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.2 t -80.13 177.01 9.24 Favored 'General case' 0 CA--C 1.505 -0.787 0 CA-C-O 122.308 1.051 . . . . 0.0 110.552 -177.346 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.435 ' H ' ' CD ' ' A' ' 53' ' ' GLU . 3.3 pm0 -73.85 -48.7 29.25 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 113.087 -1.869 . . . . 0.0 110.208 -178.596 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 56.6 t-80 -54.76 -50.71 67.78 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 119.892 -0.723 . . . . 0.0 110.24 -174.302 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 74.9 mt-10 -63.95 -50.36 68.92 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 118.415 0.552 . . . . 0.0 109.896 178.631 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 42.6 t-80 -58.23 -53.65 55.88 Favored 'General case' 0 CA--C 1.549 0.924 0 N-CA-C 112.192 0.441 . . . . 0.0 112.192 -179.319 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.0 mp0 -61.31 -40.13 93.05 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-N 118.529 0.604 . . . . 0.0 111.279 -179.119 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 57.2 tt0 -63.91 -55.0 25.88 Favored 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 -179.63 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 86.3 mmm -60.84 -43.97 97.61 Favored 'General case' 0 C--N 1.346 0.445 0 CA-C-O 121.014 0.435 . . . . 0.0 111.085 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 72.2 ttt180 -59.33 -49.52 77.49 Favored 'General case' 0 CA--C 1.552 1.05 0 C-N-CA 119.704 -0.798 . . . . 0.0 109.062 -179.471 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -60.23 -37.84 81.58 Favored 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 -179.504 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 76.2 m-20 -65.48 -40.37 93.05 Favored 'General case' 0 C--N 1.342 0.258 0 N-CA-C 108.174 -1.047 . . . . 0.0 108.174 178.161 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.2 tp -58.51 -46.93 85.71 Favored 'General case' 0 C--N 1.35 0.622 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.382 -178.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -61.06 -44.43 97.39 Favored 'General case' 0 CA--C 1.559 1.315 0 C-N-CA 120.65 -0.42 . . . . 0.0 110.543 178.618 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -60.12 -48.28 82.38 Favored 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 113.276 0.843 . . . . 0.0 113.276 -178.574 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -70.84 -36.86 73.06 Favored 'General case' 0 N--CA 1.485 1.299 0 N-CA-C 110.164 -0.31 . . . . 0.0 110.164 -179.618 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 41.5 mtp85 -54.03 -49.63 68.49 Favored 'General case' 0 N--CA 1.484 1.241 0 CA-C-N 116.615 -0.266 . . . . 0.0 110.559 -179.647 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 73.4 mt-10 -66.57 -57.64 6.85 Favored 'General case' 0 N--CA 1.483 1.204 0 CA-C-O 121.003 0.43 . . . . 0.0 109.933 179.732 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -52.52 -45.76 66.42 Favored 'General case' 0 CA--C 1.548 0.874 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.485 -179.162 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 58.3 tp -58.04 -47.02 84.39 Favored 'General case' 0 N--CA 1.49 1.566 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.622 -178.664 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 77.3 m-20 -66.12 -61.41 2.05 Favored 'General case' 0 N--CA 1.47 0.544 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 179.657 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -74.66 93.46 2.55 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 115.749 -0.659 . . . . 0.0 109.304 179.578 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 70.0 m-20 -64.61 137.81 58.05 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-N 115.835 -0.621 . . . . 0.0 109.363 178.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 21.7 p80 -64.61 -43.79 92.63 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-O 120.988 0.423 . . . . 0.0 110.805 -179.627 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 34.8 t -170.44 103.2 0.27 Allowed 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.793 -179.753 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 49.8 m -162.47 -13.53 0.04 OUTLIER 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 122.662 0.385 . . . . 0.0 110.021 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 67.6 mt -68.67 143.38 94.98 Favored Pre-proline 0 CA--C 1.56 1.345 0 CA-C-O 118.749 -0.643 . . . . 0.0 110.629 -178.661 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 80.3 Cg_endo . . . . . 0 N--CA 1.515 2.759 0 C-N-CA 121.982 1.788 . . . . 0.0 110.863 179.95 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 21.2 p-10 . . . . . 0 N--CA 1.489 1.521 0 N-CA-C 109.589 -0.522 . . . . 0.0 109.589 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 58.9 p -63.87 -32.26 73.72 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.571 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 26.8 m -61.18 -27.05 40.97 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.611 179.585 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -163.49 91.26 0.67 Allowed 'General case' 0 N--CA 1.474 0.769 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.09 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -69.13 142.49 54.39 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 109.538 -0.541 . . . . 0.0 109.538 179.725 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 42.7 pt -64.93 -21.54 29.66 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.644 0 CA-C-O 121.131 0.491 . . . . 0.0 110.451 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 83.1 p -64.27 -1.17 1.5 Allowed 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.145 -179.641 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 79.2 tt0 -68.83 -38.97 80.2 Favored 'General case' 0 N--CA 1.472 0.65 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 178.746 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 89.4 p -61.57 -49.04 78.25 Favored 'General case' 0 N--CA 1.48 1.046 0 CA-C-O 120.926 0.393 . . . . 0.0 110.473 -179.827 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 59.8 mt -58.93 -43.7 91.23 Favored 'General case' 0 CA--C 1.545 0.775 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.027 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.47 ' O ' ' N ' ' A' ' 13' ' ' GLY . 40.3 ttm180 -64.51 -54.3 34.53 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 110.249 -0.278 . . . . 0.0 110.249 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 61.8 tp60 54.49 -75.87 0.01 OUTLIER 'General case' 0 CA--C 1.549 0.911 0 O-C-N 124.158 0.911 . . . . 0.0 111.026 -179.008 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 11' ' ' ARG . . . 74.42 16.23 80.03 Favored Glycine 0 N--CA 1.468 0.781 0 N-CA-C 110.832 -0.907 . . . . 0.0 110.832 179.166 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -78.25 -15.87 80.4 Favored Glycine 0 N--CA 1.466 0.658 0 N-CA-C 110.824 -0.91 . . . . 0.0 110.824 179.691 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 95.02 -28.16 12.53 Favored Glycine 0 N--CA 1.477 1.389 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp -119.37 122.79 42.6 Favored 'General case' 0 N--CA 1.482 1.153 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 179.32 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.48 ' CD2' HD21 ' A' ' 22' ' ' LEU . 1.1 mt -132.78 109.92 10.0 Favored 'General case' 0 C--N 1.352 0.71 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 -178.823 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.459 ' O ' ' N ' ' A' ' 21' ' ' GLU . 2.2 p-10 -125.1 132.33 53.15 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 107.457 -1.312 . . . . 0.0 107.457 178.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 29.8 p90 -31.52 -29.93 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.693 1.197 . . . . 0.0 113.741 -179.175 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.435 ' N ' ' O ' ' A' ' 18' ' ' ASN . 66.8 m-20 -71.49 -45.48 62.38 Favored 'General case' 0 C--O 1.218 -0.562 0 CA-C-N 115.58 -0.736 . . . . 0.0 109.355 -179.702 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 18' ' ' ASN . 0.0 OUTLIER -58.38 -36.83 74.11 Favored 'General case' 0 CA--C 1.549 0.924 0 N-CA-C 107.806 -1.183 . . . . 0.0 107.806 -178.556 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.48 HD21 ' CD2' ' A' ' 17' ' ' LEU . 96.2 mt -73.69 -48.42 32.31 Favored 'General case' 0 CA--C 1.495 -1.155 0 CA-C-O 121.533 0.682 . . . . 0.0 110.81 178.666 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 11.7 ttm180 -61.16 -51.69 67.97 Favored 'General case' 0 C--N 1.312 -1.033 0 CA-C-N 115.188 -0.915 . . . . 0.0 111.275 -177.646 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 82.5 mt-30 -62.04 -37.12 83.72 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 112.696 0.628 . . . . 0.0 112.696 -177.444 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -72.06 -48.82 41.45 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.034 0.445 . . . . 0.0 110.379 176.462 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 24.1 mt -61.33 -32.05 71.92 Favored 'General case' 0 N--CA 1.493 1.69 0 CA-C-N 115.309 -0.86 . . . . 0.0 112.139 -176.814 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 32.1 ttmt -54.97 -44.41 74.38 Favored 'General case' 0 CA--C 1.555 1.149 0 CA-C-O 121.201 0.524 . . . . 0.0 110.451 178.867 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -62.96 -33.48 87.3 Favored Glycine 0 CA--C 1.532 1.116 0 CA-C-N 115.56 -0.745 . . . . 0.0 112.285 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt -70.6 4.37 2.47 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 122.836 0.455 . . . . 0.0 111.489 -178.522 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 70.43 19.62 76.31 Favored Glycine 0 N--CA 1.47 0.944 0 N-CA-C 111.722 -0.551 . . . . 0.0 111.722 177.181 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -71.41 162.34 29.59 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 117.33 0.565 . . . . 0.0 109.481 179.543 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 72.9 p -90.7 162.76 14.77 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.052 -177.712 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -59.56 -44.11 93.38 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.675 -0.239 . . . . 0.0 110.366 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.04 -47.42 85.28 Favored 'General case' 0 N--CA 1.47 0.572 0 O-C-N 123.385 0.428 . . . . 0.0 110.353 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 71.4 mm-40 -69.56 -41.64 75.61 Favored 'General case' 0 N--CA 1.476 0.863 0 O-C-N 121.487 -0.758 . . . . 0.0 111.059 -177.689 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 64.3 mt -59.52 -50.58 79.39 Favored 'Isoleucine or valine' 0 C--O 1.245 0.819 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.012 -179.029 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -63.61 -42.24 98.24 Favored 'General case' 0 C--N 1.345 0.412 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.58 -177.197 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.55 -45.88 90.92 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 116.011 -0.54 . . . . 0.0 112.109 -178.468 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.3 mp -60.84 -46.85 95.51 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.856 0 C-N-CA 119.922 -0.711 . . . . 0.0 111.149 -173.89 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -66.99 -39.84 87.24 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.572 0.701 . . . . 0.0 110.271 -178.505 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 36.8 m -61.5 -46.27 90.69 Favored 'General case' 0 C--O 1.239 0.524 0 CA-C-N 114.249 -1.341 . . . . 0.0 111.578 -175.294 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -66.73 -49.2 66.75 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 -179.718 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 16.7 m-85 -71.49 -32.41 68.21 Favored 'General case' 0 C--O 1.217 -0.619 0 C-N-CA 119.97 -0.692 . . . . 0.0 110.427 -177.583 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -113.83 105.57 13.42 Favored 'General case' 0 N--CA 1.489 1.498 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 179.467 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 27.8 mm-40 -59.2 -51.44 69.96 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-O 119.187 -0.435 . . . . 0.0 112.125 -175.691 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 27.9 t0 -106.27 -3.01 21.72 Favored 'General case' 0 N--CA 1.483 1.212 0 CA-C-N 118.821 0.737 . . . . 0.0 111.823 178.319 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 42.65 40.8 4.02 Favored Glycine 0 N--CA 1.488 2.14 0 CA-C-N 117.816 0.28 . . . . 0.0 112.533 -179.003 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -118.0 -20.69 8.63 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 123.569 0.748 . . . . 0.0 111.836 -178.017 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -129.56 -178.61 4.75 Favored 'General case' 0 N--CA 1.489 1.502 0 CA-C-O 121.371 0.605 . . . . 0.0 110.989 -177.83 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -76.26 146.85 38.68 Favored 'General case' 0 C--N 1.341 0.2 0 CA-C-N 115.483 -0.78 . . . . 0.0 109.404 179.395 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 31.1 tp -91.29 122.72 34.15 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-O 121.352 0.596 . . . . 0.0 110.68 -177.592 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 6.3 t -80.35 -179.83 7.32 Favored 'General case' 0 CA--C 1.504 -0.796 0 CA-C-N 115.122 -0.944 . . . . 0.0 110.568 -178.23 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -73.54 -49.42 26.57 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-N 113.478 -1.692 . . . . 0.0 110.532 -178.611 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 82.4 t60 -54.46 -51.24 65.62 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 120.454 -0.498 . . . . 0.0 110.0 -174.707 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 67.8 mm-40 -62.0 -51.04 69.63 Favored 'General case' 0 CA--C 1.539 0.525 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 178.346 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.485 ' CD2' HH21 ' A' ' 60' ' ' ARG . 0.9 OUTLIER -58.5 -53.74 54.86 Favored 'General case' 0 CA--C 1.546 0.799 0 N-CA-C 112.736 0.643 . . . . 0.0 112.736 -179.321 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.1 mp0 -57.56 -37.67 73.52 Favored 'General case' 0 CA--C 1.547 0.83 0 CA-C-N 118.222 0.464 . . . . 0.0 111.469 -178.553 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 21.9 mt-30 -63.81 -53.88 43.9 Favored 'General case' 0 N--CA 1.478 0.974 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 179.205 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 67.8 mmm -64.75 -35.09 79.96 Favored 'General case' 0 CA--C 1.512 -0.495 0 CA-C-O 120.893 0.378 . . . . 0.0 111.057 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.485 HH21 ' CD2' ' A' ' 56' ' ' HIS . 38.2 ttm180 -59.76 -48.93 79.71 Favored 'General case' 0 CA--C 1.549 0.933 0 N-CA-C 109.23 -0.655 . . . . 0.0 109.23 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 75.9 m-20 -60.71 -36.6 79.24 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-O 121.09 0.471 . . . . 0.0 110.046 -179.716 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 62.3 m-20 -64.76 -36.66 85.01 Favored 'General case' 0 N--CA 1.464 0.249 0 N-CA-C 108.963 -0.754 . . . . 0.0 108.963 178.216 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 7.3 tp -58.66 -47.7 83.56 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.566 -179.311 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -61.18 -44.47 97.25 Favored 'General case' 0 CA--C 1.554 1.113 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.41 179.404 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -63.91 -49.74 71.46 Favored 'General case' 0 N--CA 1.487 1.399 0 N-CA-C 113.718 1.007 . . . . 0.0 113.718 -178.803 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -67.98 -44.79 75.85 Favored 'General case' 0 N--CA 1.482 1.137 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 -177.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 79.1 mtm180 -55.88 -44.14 77.85 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-N 116.541 -0.3 . . . . 0.0 110.538 -179.677 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 77.0 tt0 -60.09 -65.59 0.66 Allowed 'General case' 0 N--CA 1.48 1.052 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 179.752 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 60.3 m-20 -52.17 -42.59 63.56 Favored 'General case' 0 CA--C 1.551 0.996 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.673 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 60.2 tp -63.06 -38.72 92.3 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 122.267 0.227 . . . . 0.0 111.36 179.437 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -58.53 -52.15 66.89 Favored 'General case' 0 N--CA 1.482 1.143 0 CA-C-O 120.905 0.383 . . . . 0.0 110.469 -178.118 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 10.7 mp -64.57 -43.19 94.67 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.971 179.089 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -64.19 132.16 49.55 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 109.149 -0.685 . . . . 0.0 109.149 179.829 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 57.9 t-80 -63.44 -41.21 98.67 Favored 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 33.2 t 54.37 -169.93 0.06 Allowed 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.496 -179.13 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 55.5 m -61.37 -38.52 87.31 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-O 121.001 0.429 . . . . 0.0 110.584 178.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 11.0 mp -63.6 150.47 90.31 Favored Pre-proline 0 CA--C 1.56 1.357 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.953 -178.498 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_endo . . . . . 0 N--CA 1.509 2.39 0 C-N-CA 122.319 2.013 . . . . 0.0 110.7 179.29 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 82.7 m-20 . . . . . 0 N--CA 1.489 1.524 0 N-CA-C 108.296 -1.001 . . . . 0.0 108.296 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 22.1 m -63.07 -48.02 80.46 Favored 'General case' 0 N--CA 1.478 0.927 0 CA-C-O 120.817 0.341 . . . . 0.0 110.159 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.6 p -63.53 -24.26 35.4 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.83 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.508 179.73 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 23.4 t70 64.35 171.54 0.19 Allowed 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.16 -178.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -80.25 96.01 6.48 Favored 'General case' 0 N--CA 1.478 0.938 0 CA-C-O 121.038 0.447 . . . . 0.0 109.955 -179.496 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 36.1 pt -67.89 -19.08 24.47 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 N-CA-C 109.932 -0.396 . . . . 0.0 109.932 179.821 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 48.2 m -64.04 -2.66 2.09 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.341 -179.659 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 64.6 mm-40 -72.01 -35.46 69.44 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 122.495 0.318 . . . . 0.0 110.478 177.748 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 43.9 t -59.59 -50.05 75.38 Favored 'General case' 0 N--CA 1.479 0.99 0 CA-C-O 120.725 0.297 . . . . 0.0 110.909 -179.705 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 9.6 mp -62.82 -42.78 99.87 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 178.851 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.487 ' O ' ' N ' ' A' ' 13' ' ' GLY . 58.1 ttm-85 -59.7 -54.37 47.16 Favored 'General case' 0 C--N 1.352 0.708 0 C-N-CA 120.84 -0.344 . . . . 0.0 110.336 -179.39 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 53.52 -77.47 0.01 OUTLIER 'General case' 0 CA--C 1.545 0.779 0 O-C-N 124.254 0.971 . . . . 0.0 110.844 -179.602 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.487 ' N ' ' O ' ' A' ' 11' ' ' ARG . . . 78.12 16.89 79.11 Favored Glycine 0 N--CA 1.473 1.123 0 N-CA-C 110.632 -0.987 . . . . 0.0 110.632 179.416 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -76.61 -16.91 80.36 Favored Glycine 0 CA--C 1.531 1.033 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 179.833 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 95.47 -32.73 5.99 Favored Glycine 0 N--CA 1.48 1.611 0 N-CA-C 111.272 -0.731 . . . . 0.0 111.272 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 46.5 mtmt -119.72 127.43 52.84 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 123.301 0.64 . . . . 0.0 109.418 179.338 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.4 tp -153.3 136.43 15.61 Favored 'General case' 0 C--O 1.221 -0.418 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 -179.159 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 21.1 p30 -156.39 164.78 37.87 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 108.232 -1.025 . . . . 0.0 108.232 179.094 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 24.0 p90 -31.13 -40.22 0.03 OUTLIER 'General case' 0 N--CA 1.483 1.184 0 O-C-N 124.357 1.036 . . . . 0.0 113.119 -177.199 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -74.19 -45.81 46.08 Favored 'General case' 0 C--O 1.208 -1.086 0 CA-C-O 121.436 0.636 . . . . 0.0 112.453 -179.607 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 66.2 mm-40 -61.62 -44.84 96.24 Favored 'General case' 0 N--CA 1.484 1.244 0 CA-C-O 121.321 0.581 . . . . 0.0 111.922 -175.263 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.4 pp -75.42 -47.43 27.4 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 115.226 -0.897 . . . . 0.0 110.938 178.584 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 51.6 ttp180 -59.77 -50.29 74.38 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 112.294 0.479 . . . . 0.0 112.294 -176.404 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 40.1 mm-40 -57.71 -36.31 71.83 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.15 -0.932 . . . . 0.0 110.988 -176.798 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -71.97 -48.57 44.11 Favored 'General case' 0 N--CA 1.448 -0.56 0 O-C-N 123.9 0.75 . . . . 0.0 110.233 175.269 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 20.2 mt -63.96 -33.13 75.03 Favored 'General case' 0 N--CA 1.496 1.864 0 CA-C-N 114.88 -1.055 . . . . 0.0 111.785 -175.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -55.23 -46.26 76.0 Favored 'General case' 0 CA--C 1.555 1.143 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 178.029 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -60.28 -35.88 89.37 Favored Glycine 0 CA--C 1.54 1.645 0 CA-C-N 115.969 -0.559 . . . . 0.0 112.006 178.811 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -70.09 -0.07 7.04 Favored 'General case' 0 N--CA 1.479 1.007 0 CA-C-O 121.289 0.566 . . . . 0.0 111.122 -179.249 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 71.4 20.57 78.36 Favored Glycine 0 N--CA 1.469 0.864 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.421 177.656 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -66.97 162.69 21.42 Favored 'General case' 0 N--CA 1.472 0.666 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 58.0 p -91.04 158.6 16.59 Favored 'General case' 0 CA--C 1.503 -0.841 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.231 -176.435 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.49 ' O ' ' HG3' ' A' ' 37' ' ' GLU . 15.4 p-10 -62.9 -45.03 94.43 Favored 'General case' 0 C--O 1.213 -0.841 0 CA-C-N 116.596 -0.275 . . . . 0.0 110.503 -179.662 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.58 -46.49 86.84 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 120.629 -0.428 . . . . 0.0 110.684 -179.159 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 -66.45 -42.19 87.97 Favored 'General case' 0 N--CA 1.478 0.957 0 CA-C-O 120.72 0.295 . . . . 0.0 110.88 -176.678 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 65.2 mt -57.25 -48.02 83.14 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.579 0 N-CA-C 108.709 -0.848 . . . . 0.0 108.709 179.341 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.49 ' HG3' ' O ' ' A' ' 33' ' ' ASP . 96.3 mt-10 -55.29 -45.83 76.2 Favored 'General case' 0 CA--C 1.5 -0.957 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.802 -178.66 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.05 -45.28 94.25 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.426 -179.445 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.6 mp -63.26 -47.54 91.68 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.136 0 C-N-CA 119.282 -0.967 . . . . 0.0 111.348 -174.21 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -67.68 -44.6 77.39 Favored 'General case' 0 CA--C 1.512 -0.516 0 CA-C-O 121.513 0.673 . . . . 0.0 110.756 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 24.3 m -58.31 -46.36 86.29 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-N 114.887 -1.051 . . . . 0.0 111.404 -176.589 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -70.94 -48.69 52.1 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.483 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -72.28 -32.85 66.97 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 119.555 -0.858 . . . . 0.0 110.413 -176.207 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -109.58 111.58 23.15 Favored 'General case' 0 N--CA 1.48 1.055 0 N-CA-C 108.075 -1.083 . . . . 0.0 108.075 179.43 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.448 ' NE2' ' N ' ' A' ' 45' ' ' GLN . 0.8 OUTLIER -63.23 -50.98 68.1 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-O 119.254 -0.403 . . . . 0.0 111.363 -176.628 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 65.3 m-20 -106.36 -2.47 22.16 Favored 'General case' 0 N--CA 1.479 1.009 0 CA-C-N 118.347 0.521 . . . . 0.0 111.054 178.703 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 47.8 27.09 4.51 Favored Glycine 0 N--CA 1.481 1.676 0 C-N-CA 121.432 -0.413 . . . . 0.0 112.476 -178.877 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -117.64 -14.28 10.22 Favored 'General case' 0 N--CA 1.495 1.807 0 C-N-CA 123.52 0.728 . . . . 0.0 112.124 -178.168 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -125.82 171.25 10.84 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 123.17 0.588 . . . . 0.0 109.848 -177.469 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -75.69 147.95 39.01 Favored 'General case' 0 CA--C 1.517 -0.293 0 CA-C-N 115.005 -0.998 . . . . 0.0 108.491 179.493 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 34.3 tp -91.05 122.89 34.09 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-O 121.844 0.831 . . . . 0.0 110.69 -177.489 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.7 t -80.74 178.29 8.47 Favored 'General case' 0 CA--C 1.501 -0.925 0 CA-C-N 114.273 -1.33 . . . . 0.0 109.784 -178.178 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 -73.23 -52.2 14.94 Favored 'General case' 0 C--N 1.306 -1.283 0 CA-C-N 113.195 -1.821 . . . . 0.0 110.867 -177.122 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 58.8 t-80 -55.44 -50.29 70.22 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 120.175 -0.61 . . . . 0.0 109.69 -174.308 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 41.9 tp10 -61.48 -49.6 76.11 Favored 'General case' 0 CA--C 1.537 0.45 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 179.027 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 45.0 t60 -58.67 -54.03 51.64 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.485 -179.44 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -57.38 -36.58 71.43 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 121.024 -0.27 . . . . 0.0 111.006 -178.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 48.9 tt0 -64.73 -54.69 27.47 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 120.84 -0.344 . . . . 0.0 110.559 -178.678 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 34.0 mmt -63.15 -34.7 78.2 Favored 'General case' 0 C--N 1.351 0.644 0 CA-C-O 120.838 0.351 . . . . 0.0 110.371 -179.756 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.444 HH11 ' NH1' ' A' ' 11' ' ' ARG . 60.5 ttp180 -59.86 -48.53 81.32 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.775 -178.305 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 75.0 m-20 -61.75 -37.76 85.44 Favored 'General case' 0 N--CA 1.466 0.374 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -65.7 -40.38 92.22 Favored 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 178.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 6.4 tp -59.8 -49.82 76.21 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.262 -178.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.7 tp10 -57.78 -44.67 86.41 Favored 'General case' 0 CA--C 1.549 0.926 0 CA-C-O 120.932 0.396 . . . . 0.0 110.185 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -63.06 -46.52 87.09 Favored 'General case' 0 N--CA 1.479 0.983 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.32 179.279 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 69.0 mt-10 -65.19 -45.91 82.9 Favored 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 179.657 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 73.2 mtt-85 -46.22 -25.78 0.67 Allowed 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 122.281 0.232 . . . . 0.0 111.227 179.572 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 72.2 tt0 -67.27 -64.6 0.82 Allowed 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 178.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 59.5 m-20 -51.93 -41.81 62.31 Favored 'General case' 0 N--CA 1.478 0.969 0 CA-C-O 120.838 0.352 . . . . 0.0 111.411 -178.716 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -65.37 -40.41 93.5 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.184 178.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -59.86 -52.31 66.0 Favored 'General case' 0 N--CA 1.484 1.269 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 -179.547 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -67.04 -46.63 73.84 Favored 'General case' 0 N--CA 1.48 1.035 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.673 179.54 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -85.65 92.76 8.66 Favored 'General case' 0 N--CA 1.476 0.86 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 179.755 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 99.3 m-70 -64.46 -45.44 87.42 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 -179.772 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 45.6 t -168.4 133.31 1.7 Allowed 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 115.131 -0.94 . . . . 0.0 110.106 179.269 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 48.0 t -62.64 -42.02 99.36 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-O 121.19 0.519 . . . . 0.0 110.163 178.664 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 64.1 mt -67.78 146.88 98.57 Favored Pre-proline 0 CA--C 1.565 1.528 0 CA-C-N 115.312 -0.858 . . . . 0.0 111.257 -178.351 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_exo . . . . . 0 N--CA 1.52 3.063 0 C-N-CA 122.42 2.08 . . . . 0.0 112.896 178.655 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 19.9 p30 . . . . . 0 N--CA 1.491 1.59 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 70.5 p -62.5 -31.91 72.75 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 116.455 -0.338 . . . . 0.0 110.575 -179.636 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.4 p -58.09 -29.91 37.84 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 179.494 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.427 ' CG ' ' H ' ' A' ' 5' ' ' ASP . 21.2 t70 59.56 -171.83 0.12 Allowed 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 115.531 -0.758 . . . . 0.0 109.287 -179.595 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.427 ' H ' ' CG ' ' A' ' 4' ' ' ASP . 71.5 m-20 -60.05 138.37 57.88 Favored 'General case' 0 CA--C 1.55 0.963 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 179.441 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 40.5 pt -65.35 -23.88 33.85 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 CA-C-O 120.828 0.347 . . . . 0.0 110.502 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 59.7 m -64.9 -7.68 12.4 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.854 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 76.0 tt0 -71.11 -37.14 72.35 Favored 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 179.464 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 79.3 p -59.89 -51.5 69.42 Favored 'General case' 0 N--CA 1.478 0.93 0 CA-C-N 116.67 -0.241 . . . . 0.0 111.082 -179.335 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 23.1 mt -63.78 -41.28 97.97 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 122.617 0.367 . . . . 0.0 110.766 179.413 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.453 ' O ' ' N ' ' A' ' 13' ' ' GLY . 41.1 ttm180 -60.5 -53.13 61.29 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 116.132 -0.485 . . . . 0.0 109.838 179.836 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 59.07 -74.22 0.02 OUTLIER 'General case' 0 CA--C 1.544 0.749 0 O-C-N 124.436 1.085 . . . . 0.0 110.137 -179.584 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 11' ' ' ARG . . . 116.14 -19.7 13.27 Favored Glycine 0 N--CA 1.48 1.611 0 C-N-CA 124.57 1.081 . . . . 0.0 110.6 178.82 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -69.68 -46.28 54.92 Favored Glycine 0 N--CA 1.47 0.936 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 179.091 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 106.96 -60.34 0.35 Allowed Glycine 0 N--CA 1.482 1.756 0 N-CA-C 110.51 -1.036 . . . . 0.0 110.51 -179.602 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 57.2 mtpt -65.59 129.0 38.22 Favored 'General case' 0 N--CA 1.473 0.715 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.516 HD22 ' HB3' ' A' ' 22' ' ' LEU . 6.5 mt -154.56 133.47 12.29 Favored 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 -178.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.419 ' O ' ' N ' ' A' ' 21' ' ' GLU . 49.6 t30 -119.51 139.18 52.51 Favored 'General case' 0 N--CA 1.447 -0.623 0 C-N-CA 124.484 1.114 . . . . 0.0 108.701 178.885 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 53.8 p90 -31.37 -39.46 0.03 OUTLIER 'General case' 0 C--O 1.206 -1.197 0 C-N-CA 124.02 0.928 . . . . 0.0 112.309 -177.258 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -72.68 -45.53 58.39 Favored 'General case' 0 N--CA 1.481 1.123 0 CA-C-O 121.042 0.449 . . . . 0.0 111.687 178.815 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.419 ' N ' ' O ' ' A' ' 18' ' ' ASN . 62.0 mm-40 -59.67 -47.21 86.53 Favored 'General case' 0 N--CA 1.486 1.33 0 N-CA-C 113.03 0.752 . . . . 0.0 113.03 -176.921 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.547 HD12 ' N ' ' A' ' 23' ' ' ARG . 2.7 pp -75.63 -46.87 29.1 Favored 'General case' 0 CA--C 1.549 0.91 0 CA-C-N 115.549 -0.751 . . . . 0.0 111.75 178.209 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.547 ' N ' HD12 ' A' ' 22' ' ' LEU . 2.6 tmt_? -59.89 -50.37 74.04 Favored 'General case' 0 N--CA 1.486 1.374 0 CA-C-O 120.907 0.384 . . . . 0.0 111.718 -176.487 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 20.0 mm-40 -59.11 -34.79 72.43 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.958 -178.067 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -70.8 -47.75 57.82 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 109.271 -0.641 . . . . 0.0 109.271 176.075 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 55.2 mt -61.51 -32.28 72.32 Favored 'General case' 0 N--CA 1.497 1.9 0 CA-C-N 115.485 -0.78 . . . . 0.0 112.007 -177.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.6 ttpp -55.19 -45.33 75.84 Favored 'General case' 0 CA--C 1.557 1.212 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 178.319 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -60.83 -35.17 89.65 Favored Glycine 0 CA--C 1.538 1.494 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.885 179.17 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -70.41 -0.05 7.52 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 123.008 0.523 . . . . 0.0 111.235 -179.337 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 71.71 19.91 78.29 Favored Glycine 0 N--CA 1.468 0.806 0 CA-C-N 115.397 -0.82 . . . . 0.0 111.676 177.858 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -66.4 162.32 20.71 Favored 'General case' 0 N--CA 1.475 0.818 0 CA-C-N 117.652 0.726 . . . . 0.0 109.826 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 57.8 p -91.51 162.31 14.6 Favored 'General case' 0 CA--C 1.507 -0.708 0 CA-C-N 115.238 -0.892 . . . . 0.0 109.767 -176.206 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -61.21 -42.05 97.91 Favored 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 109.724 -0.472 . . . . 0.0 109.724 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.28 -47.03 86.91 Favored 'General case' 0 C--N 1.352 0.684 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 74.3 mt-10 -67.77 -48.07 67.41 Favored 'General case' 0 N--CA 1.473 0.691 0 O-C-N 121.584 -0.697 . . . . 0.0 110.174 -178.158 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 83.8 mt -58.46 -50.71 77.84 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.942 0 CA-C-N 115.571 -0.74 . . . . 0.0 111.073 -177.373 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -63.38 -43.53 97.32 Favored 'General case' 0 C--N 1.355 0.81 0 CA-C-O 121.377 0.608 . . . . 0.0 111.604 -177.515 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.66 -45.14 91.48 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 115.196 -0.911 . . . . 0.0 111.708 -179.009 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.2 mp -61.79 -46.9 95.53 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.998 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.953 -174.217 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.463 ' CB ' HD11 ' A' ' 22' ' ' LEU . 0.4 OUTLIER -67.97 -43.5 78.85 Favored 'General case' 0 CA--C 1.509 -0.602 0 CA-C-O 122.056 0.931 . . . . 0.0 110.359 -179.777 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 23.9 m -60.27 -45.58 92.79 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-N 113.682 -1.599 . . . . 0.0 111.29 -176.703 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -67.38 -49.89 61.97 Favored 'General case' 0 N--CA 1.443 -0.806 0 C-N-CA 119.955 -0.698 . . . . 0.0 110.729 -178.187 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.792 ' O ' HD11 ' A' ' 51' ' ' LEU . 8.8 m-85 -73.67 -31.52 63.5 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 120.986 -0.286 . . . . 0.0 110.969 -177.876 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -109.02 103.75 12.83 Favored 'General case' 0 N--CA 1.486 1.358 0 N-CA-C 107.46 -1.311 . . . . 0.0 107.46 179.125 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -59.35 -50.29 74.55 Favored 'General case' 0 CA--C 1.549 0.928 0 CA-C-N 115.728 -0.669 . . . . 0.0 112.133 -175.755 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -104.72 -0.32 27.52 Favored 'General case' 0 N--CA 1.489 1.491 0 CA-C-N 119.044 0.838 . . . . 0.0 111.751 -179.109 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.58 20.29 59.04 Favored Glycine 0 N--CA 1.471 0.993 0 N-CA-C 112.188 -0.365 . . . . 0.0 112.188 -177.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -120.54 -12.97 8.84 Favored 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 123.825 0.85 . . . . 0.0 111.811 178.418 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -109.47 140.67 42.93 Favored 'General case' 0 N--CA 1.491 1.587 0 CA-C-O 121.277 0.56 . . . . 0.0 112.288 -175.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -76.05 148.59 37.87 Favored 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 124.785 1.234 . . . . 0.0 108.059 177.519 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.792 HD11 ' O ' ' A' ' 43' ' ' TYR . 4.5 mm? -90.42 118.11 29.65 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-O 121.945 0.878 . . . . 0.0 110.163 -176.75 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.3 t -80.18 -178.34 6.52 Favored 'General case' 0 CA--C 1.487 -1.458 0 CA-C-N 114.454 -1.248 . . . . 0.0 108.481 -176.501 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 72.7 mt-10 -61.52 -62.44 1.81 Allowed 'General case' 0 C--N 1.308 -1.205 0 CA-C-N 114.277 -1.328 . . . . 0.0 111.37 -177.872 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 82.7 t60 -55.35 -50.33 69.95 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 119.91 -0.716 . . . . 0.0 110.783 -174.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 40.7 tp10 -61.54 -45.25 94.95 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 118.326 0.512 . . . . 0.0 110.58 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 54.1 t-80 -63.57 -47.57 80.96 Favored 'General case' 0 CA--C 1.545 0.775 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.638 178.886 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -64.61 -34.93 79.42 Favored 'General case' 0 CA--C 1.56 1.344 0 O-C-N 121.629 -0.669 . . . . 0.0 111.173 -179.778 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 72.3 mt-30 -63.13 -55.04 28.64 Favored 'General case' 0 N--CA 1.49 1.542 0 CA-C-N 118.338 0.517 . . . . 0.0 111.295 -179.091 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.72 -34.47 77.24 Favored 'General case' 0 C--N 1.351 0.672 0 O-C-N 122.039 -0.413 . . . . 0.0 110.424 -179.82 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 58.7 ttp180 -58.7 -48.02 82.55 Favored 'General case' 0 C--N 1.359 0.988 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 -178.61 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -60.09 -36.05 76.56 Favored 'General case' 0 C--N 1.341 0.211 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 179.374 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -69.66 -39.2 77.19 Favored 'General case' 0 C--N 1.35 0.609 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.321 179.602 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.3 tp -59.07 -50.29 74.65 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.808 -179.198 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 41.1 tp10 -58.75 -45.38 89.85 Favored 'General case' 0 CA--C 1.549 0.916 0 CA-C-O 120.595 0.236 . . . . 0.0 110.619 -179.791 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -63.8 -45.67 88.6 Favored 'General case' 0 N--CA 1.476 0.867 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.796 179.226 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 62.7 mm-40 -65.16 -50.76 64.74 Favored 'General case' 0 N--CA 1.476 0.827 0 N-CA-C 109.894 -0.41 . . . . 0.0 109.894 -179.682 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 64.9 mtp85 -52.16 -42.89 63.78 Favored 'General case' 0 N--CA 1.477 0.918 0 CA-C-N 116.958 -0.11 . . . . 0.0 110.744 179.757 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -57.45 -64.75 0.79 Allowed 'General case' 0 N--CA 1.48 1.056 0 N-CA-C 110.076 -0.342 . . . . 0.0 110.076 179.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -53.25 -43.34 67.3 Favored 'General case' 0 N--CA 1.478 0.97 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.289 -179.47 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 61.2 mt -63.01 -38.72 92.31 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.445 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 78.5 m-20 -60.72 -46.46 90.33 Favored 'General case' 0 N--CA 1.483 1.201 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 -179.725 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 87.2 mt -61.48 -44.87 96.32 Favored 'General case' 0 CA--C 1.546 0.806 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.294 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -105.81 36.43 2.55 Favored 'General case' 0 N--CA 1.484 1.245 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 179.54 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 84.6 t60 -56.56 -42.61 78.87 Favored 'General case' 0 N--CA 1.478 0.929 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 179.572 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 84.5 p 50.23 92.69 0.02 OUTLIER 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.654 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 67.8 m -59.31 -17.94 33.59 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.51 -179.214 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 7.6 tp -107.71 102.39 44.74 Favored Pre-proline 0 N--CA 1.486 1.355 0 CA-C-O 118.741 -0.647 . . . . 0.0 110.814 179.578 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_exo . . . . . 0 N--CA 1.518 2.968 0 C-N-CA 122.148 1.899 . . . . 0.0 112.452 178.155 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 . . . . . 0 N--CA 1.492 1.664 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 21.1 m -61.63 -47.38 85.68 Favored 'General case' 0 N--CA 1.479 1.017 0 CA-C-O 120.933 0.397 . . . . 0.0 110.345 -179.273 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 35.9 m -59.79 -32.13 48.92 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.673 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 57.0 m-20 -75.07 102.93 5.06 Favored 'General case' 0 CA--C 1.543 0.683 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 179.671 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 13.5 p-10 -71.81 64.81 0.49 Allowed 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 41.4 pt -69.19 -23.78 27.24 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 68.1 m -63.61 -8.23 9.36 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.717 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 78.8 tt0 -69.16 -39.69 78.63 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.996 179.352 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 47.4 t -61.27 -45.79 93.05 Favored 'General case' 0 N--CA 1.477 0.903 0 CA-C-O 120.782 0.325 . . . . 0.0 111.225 -179.309 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 33.4 mt -62.3 -43.8 97.99 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.012 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.532 ' O ' ' N ' ' A' ' 13' ' ' GLY . 70.8 ttt-85 -72.01 -55.0 8.19 Favored 'General case' 0 C--O 1.216 -0.658 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 -179.587 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 9.8 tp-100 51.39 -77.46 0.01 OUTLIER 'General case' 0 CA--C 1.553 1.095 0 CA-C-N 115.921 -0.582 . . . . 0.0 111.065 -179.119 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.532 ' N ' ' O ' ' A' ' 11' ' ' ARG . . . 87.4 17.14 59.3 Favored Glycine 0 N--CA 1.472 1.043 0 N-CA-C 110.416 -1.074 . . . . 0.0 110.416 179.704 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -74.3 -23.49 75.6 Favored Glycine 0 N--CA 1.474 1.169 0 N-CA-C 111.156 -0.777 . . . . 0.0 111.156 179.536 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 93.48 -73.02 1.26 Allowed Glycine 0 N--CA 1.477 1.381 0 N-CA-C 110.604 -0.998 . . . . 0.0 110.604 -179.561 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 28.7 mtmm -71.85 116.58 12.41 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 179.581 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.504 HD22 ' CD2' ' A' ' 22' ' ' LEU . 9.4 mt -153.05 134.51 14.36 Favored 'General case' 0 C--O 1.213 -0.85 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 -177.686 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.437 ' O ' ' N ' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -133.7 142.97 48.23 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 106.994 -1.484 . . . . 0.0 106.994 179.652 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 49.0 p90 -33.36 -31.31 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 124.119 0.968 . . . . 0.0 113.221 -179.55 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -72.47 -44.88 61.7 Favored 'General case' 0 C--O 1.214 -0.765 0 N-CA-C 109.06 -0.718 . . . . 0.0 109.06 -178.7 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 18' ' ' ASN . 71.8 mm-40 -59.12 -40.39 85.24 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 115.119 -0.946 . . . . 0.0 109.343 -179.581 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.504 ' CD2' HD22 ' A' ' 17' ' ' LEU . 66.5 mt -74.29 -47.67 33.31 Favored 'General case' 0 CA--C 1.498 -1.041 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.481 178.18 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 32.0 ttm180 -62.79 -53.83 48.25 Favored 'General case' 0 C--N 1.317 -0.813 0 C-N-CA 119.444 -0.902 . . . . 0.0 110.952 -177.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -60.29 -39.65 87.65 Favored 'General case' 0 CA--C 1.501 -0.924 0 CA-C-N 115.094 -0.957 . . . . 0.0 112.001 -176.329 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -71.23 -48.71 49.65 Favored 'General case' 0 N--CA 1.444 -0.745 0 CA-C-O 121.298 0.57 . . . . 0.0 110.332 176.086 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 44.1 mt -64.4 -32.14 73.64 Favored 'General case' 0 N--CA 1.497 1.886 0 CA-C-N 114.597 -1.183 . . . . 0.0 112.221 -176.597 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.8 ttpt -55.3 -44.62 75.92 Favored 'General case' 0 CA--C 1.562 1.441 0 C-N-CA 119.785 -0.766 . . . . 0.0 110.031 178.025 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -61.18 -30.82 74.84 Favored Glycine 0 CA--C 1.536 1.4 0 CA-C-N 116.18 -0.464 . . . . 0.0 112.436 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -70.79 3.23 3.38 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 122.955 0.502 . . . . 0.0 111.643 -178.419 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 71.23 19.1 77.17 Favored Glycine 0 N--CA 1.468 0.822 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 177.109 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -69.97 162.18 28.59 Favored 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 179.632 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 71.8 p -88.79 158.39 18.17 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.536 -176.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -59.51 -44.65 93.09 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 116.727 -0.215 . . . . 0.0 110.593 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.01 -46.41 88.27 Favored 'General case' 0 N--CA 1.473 0.72 0 O-C-N 123.762 0.664 . . . . 0.0 110.021 -179.71 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 69.8 mm-40 -70.02 -43.83 70.53 Favored 'General case' 0 N--CA 1.467 0.382 0 O-C-N 121.666 -0.646 . . . . 0.0 110.767 -177.717 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 85.3 mt -60.52 -50.6 79.74 Favored 'Isoleucine or valine' 0 C--O 1.243 0.734 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.153 -177.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.419 ' O ' ' CD2' ' A' ' 40' ' ' PHE . 11.2 pt-20 -62.73 -42.45 99.67 Favored 'General case' 0 C--N 1.349 0.575 0 CA-C-O 121.766 0.794 . . . . 0.0 111.527 -176.588 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.61 -43.44 93.76 Favored 'General case' 0 C--O 1.222 -0.356 0 CA-C-N 114.69 -1.141 . . . . 0.0 111.367 -178.762 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.1 mp -61.74 -46.85 95.64 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.079 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.595 -173.138 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.419 ' CD2' ' O ' ' A' ' 37' ' ' GLU . 0.5 OUTLIER -66.98 -39.99 87.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.981 0.896 . . . . 0.0 110.39 -178.933 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 52.6 m -59.99 -44.21 94.67 Favored 'General case' 0 CA--C 1.513 -0.45 0 CA-C-N 113.641 -1.618 . . . . 0.0 111.692 -176.036 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -67.68 -49.11 64.45 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 120.281 -0.567 . . . . 0.0 110.197 -179.383 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.44 ' CD1' ' SD ' ' A' ' 59' ' ' MET . 14.6 m-85 -72.55 -32.2 65.89 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 119.971 -0.692 . . . . 0.0 111.408 -177.193 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -106.49 108.18 19.56 Favored 'General case' 0 N--CA 1.481 1.116 0 N-CA-C 106.796 -1.557 . . . . 0.0 106.796 178.523 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -60.95 -51.48 69.09 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 112.326 0.491 . . . . 0.0 112.326 -175.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 59.9 m-20 -106.28 -2.31 22.49 Favored 'General case' 0 N--CA 1.477 0.915 0 CA-C-N 118.805 0.729 . . . . 0.0 110.665 178.505 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 53.02 25.54 24.54 Favored Glycine 0 N--CA 1.481 1.691 0 C-N-CA 120.977 -0.63 . . . . 0.0 111.751 -178.679 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 64.2 m-20 -117.7 -12.56 10.26 Favored 'General case' 0 N--CA 1.492 1.637 0 C-N-CA 123.479 0.712 . . . . 0.0 111.98 -178.308 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.1 pm0 -125.81 163.53 22.69 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 123.66 0.784 . . . . 0.0 110.461 -178.24 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 73.4 mt-10 -76.1 148.5 37.84 Favored 'General case' 0 N--CA 1.444 -0.731 0 CA-C-N 114.48 -1.236 . . . . 0.0 108.368 178.745 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 32.1 tp -91.03 120.44 32.02 Favored 'General case' 0 CA--C 1.536 0.415 0 O-C-N 123.616 0.572 . . . . 0.0 109.561 -177.486 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.4 t -79.5 -179.73 7.0 Favored 'General case' 0 CA--C 1.481 -1.688 0 CA-C-N 115.063 -0.971 . . . . 0.0 109.316 -177.169 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.496 ' O ' ' NE2' ' A' ' 57' ' ' GLN . 62.0 mt-10 -73.88 -54.04 8.85 Favored 'General case' 0 N--CA 1.428 -1.548 0 CA-C-N 113.225 -1.807 . . . . 0.0 110.231 -176.454 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -53.29 -49.89 66.04 Favored 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 120.23 -0.588 . . . . 0.0 109.672 -174.659 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 39.8 tp10 -62.21 -44.13 97.26 Favored 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 178.466 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.424 ' NE2' ' O ' ' A' ' 11' ' ' ARG . 29.1 t-80 -59.31 -49.25 78.56 Favored 'General case' 0 C--N 1.355 0.828 0 O-C-N 123.526 0.516 . . . . 0.0 110.067 -179.741 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.496 ' NE2' ' O ' ' A' ' 53' ' ' GLU . 1.4 mp0 -57.75 -34.48 69.58 Favored 'General case' 0 N--CA 1.481 1.078 0 O-C-N 121.808 -0.557 . . . . 0.0 111.342 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 55.6 tt0 -64.67 -55.7 18.47 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 120.543 -0.463 . . . . 0.0 110.873 -178.261 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.44 ' SD ' ' CD1' ' A' ' 43' ' ' TYR . 11.8 ptm -59.11 -35.09 72.83 Favored 'General case' 0 C--N 1.348 0.525 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 179.3 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 58.5 ttp180 -58.51 -48.75 79.8 Favored 'General case' 0 C--N 1.362 1.126 0 C-N-CA 120.181 -0.608 . . . . 0.0 109.73 -175.848 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 74.0 m-20 -60.62 -35.5 76.32 Favored 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 179.385 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 51.3 m-20 -69.93 -36.66 75.5 Favored 'General case' 0 C--N 1.346 0.456 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 179.209 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 6.9 tp -60.56 -49.04 79.14 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.218 -179.096 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 90.9 mt-10 -57.73 -44.12 85.78 Favored 'General case' 0 CA--C 1.547 0.854 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 178.707 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -60.57 -43.32 97.43 Favored 'General case' 0 N--CA 1.483 1.19 0 CA-C-O 120.877 0.37 . . . . 0.0 110.949 179.597 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 65.6 mt-10 -58.31 -34.82 70.99 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 51.3 ttt85 -53.66 -43.17 68.62 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.339 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -69.89 -32.09 70.24 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.696 179.362 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 57.6 m-20 -78.22 -16.58 57.71 Favored 'General case' 0 N--CA 1.481 1.101 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.246 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 49.2 tp -68.87 -42.52 76.9 Favored 'General case' 0 N--CA 1.48 1.05 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.981 -179.086 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 13.2 p-10 -87.04 -47.51 8.87 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.394 -178.879 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 79.3 mt -68.96 88.16 0.39 Allowed 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 115.903 -0.59 . . . . 0.0 109.75 179.517 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 67.3 m-20 -71.24 85.35 0.77 Allowed 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 179.289 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 99.5 m-70 -66.58 -32.25 73.47 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 39.8 t 54.34 17.2 1.46 Allowed 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.752 -179.562 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 44.1 t -61.79 -41.27 97.52 Favored 'General case' 0 CA--C 1.518 -0.276 0 CA-C-N 115.207 -0.906 . . . . 0.0 110.092 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 65.1 mt -67.31 146.27 98.78 Favored Pre-proline 0 CA--C 1.557 1.214 0 CA-C-N 115.276 -0.875 . . . . 0.0 110.944 -178.428 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 90.6 Cg_exo . . . . . 0 N--CA 1.519 2.98 0 C-N-CA 122.324 2.016 . . . . 0.0 112.935 178.375 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.5 t -61.27 -17.78 55.19 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.783 179.539 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 51.9 t -61.75 -43.47 97.27 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 CA-C-N 116.035 -0.529 . . . . 0.0 109.772 -179.779 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 51.2 m-20 54.53 61.72 2.88 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-O 121.186 0.517 . . . . 0.0 110.793 -179.31 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 29.5 m-20 -64.18 153.7 37.05 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.66 -179.624 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 41.9 pt -69.81 -24.02 26.35 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.479 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.456 -179.57 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 88.6 p -90.03 10.59 23.56 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.717 -179.051 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 42.3 tp10 -60.95 -40.18 92.33 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 110.169 -0.308 . . . . 0.0 110.169 -178.609 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 49.5 m -58.47 -50.03 75.22 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-O 120.933 0.397 . . . . 0.0 110.193 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 77.8 mt -65.55 -38.05 88.45 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.344 178.753 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 34.9 ttm180 -58.23 -26.03 62.4 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.268 -179.19 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 68.4 tp60 -45.95 -66.57 0.38 Allowed 'General case' 0 CA--C 1.543 0.68 0 O-C-N 123.556 0.535 . . . . 0.0 110.77 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 65.66 18.33 65.85 Favored Glycine 0 C--N 1.339 0.698 0 N-CA-C 110.682 -0.967 . . . . 0.0 110.682 178.604 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -53.58 -12.69 2.51 Favored Glycine 0 CA--C 1.531 1.032 0 N-CA-C 111.974 -0.45 . . . . 0.0 111.974 -179.71 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 99.74 -72.75 0.48 Allowed Glycine 0 N--CA 1.475 1.261 0 N-CA-C 110.54 -1.024 . . . . 0.0 110.54 179.425 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 60.1 mmtt -72.44 107.81 5.19 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 179.44 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.549 HD22 HD21 ' A' ' 22' ' ' LEU . 12.8 mt -149.69 134.18 17.5 Favored 'General case' 0 C--O 1.22 -0.469 0 O-C-N 124.039 0.837 . . . . 0.0 109.14 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.483 ' ND2' ' CD2' ' A' ' 19' ' ' PHE . 23.4 t-20 -133.07 142.96 49.03 Favored 'General case' 0 C--O 1.218 -0.562 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 178.221 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.483 ' CD2' ' ND2' ' A' ' 18' ' ' ASN . 47.6 p90 -33.59 -30.67 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 123.896 0.878 . . . . 0.0 113.071 -179.132 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -72.31 -45.67 58.98 Favored 'General case' 0 C--O 1.211 -0.938 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.504 -179.539 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 18' ' ' ASN . 69.7 mm-40 -59.29 -37.84 78.69 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 115.648 -0.706 . . . . 0.0 109.385 -179.687 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.549 HD21 HD22 ' A' ' 17' ' ' LEU . 64.4 mt -74.91 -48.54 24.11 Favored 'General case' 0 CA--C 1.498 -1.054 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.394 178.003 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 37.1 ttp180 -61.33 -52.18 65.76 Favored 'General case' 0 C--N 1.315 -0.915 0 C-N-CA 119.843 -0.743 . . . . 0.0 111.021 -179.094 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 45.4 mm-40 -58.03 -39.26 77.94 Favored 'General case' 0 CA--C 1.501 -0.91 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.681 -176.835 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -72.37 -49.02 37.11 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-O 121.015 0.435 . . . . 0.0 111.078 175.175 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 46.0 mt -63.7 -31.98 73.33 Favored 'General case' 0 N--CA 1.497 1.92 0 CA-C-N 115.082 -0.963 . . . . 0.0 112.028 -177.116 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.5 ttpt -54.79 -44.81 74.07 Favored 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 120.045 -0.662 . . . . 0.0 109.962 178.503 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -63.01 -33.26 86.75 Favored Glycine 0 N--CA 1.472 1.037 0 N-CA-C 111.804 -0.519 . . . . 0.0 111.804 179.738 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -70.29 3.47 2.88 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 122.813 0.445 . . . . 0.0 111.599 -178.891 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 70.8 19.35 76.72 Favored Glycine 0 N--CA 1.467 0.707 0 N-CA-C 110.799 -0.92 . . . . 0.0 110.799 176.722 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -68.27 162.32 25.35 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 69.9 p -91.1 159.02 16.32 Favored 'General case' 0 CA--C 1.506 -0.727 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.814 -177.52 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 17.6 p-10 -60.79 -44.44 96.82 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.427 179.798 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.08 -46.66 87.7 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 123.789 0.68 . . . . 0.0 109.85 -178.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.403 ' O ' HD13 ' A' ' 39' ' ' ILE . 67.8 mm-40 -68.48 -42.44 78.68 Favored 'General case' 0 N--CA 1.469 0.501 0 O-C-N 121.72 -0.613 . . . . 0.0 110.58 -178.17 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 51.9 mt -59.9 -50.83 78.6 Favored 'Isoleucine or valine' 0 C--O 1.239 0.517 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.107 -178.037 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -63.72 -41.78 98.02 Favored 'General case' 0 C--N 1.346 0.427 0 CA-C-O 121.482 0.658 . . . . 0.0 111.933 -176.094 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.31 -45.66 83.44 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 114.883 -1.053 . . . . 0.0 111.795 -177.48 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.403 HD13 ' O ' ' A' ' 35' ' ' GLU . 1.3 mp -62.24 -46.87 95.43 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.477 0 C-N-CA 119.948 -0.701 . . . . 0.0 111.29 -173.794 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -66.91 -41.39 87.17 Favored 'General case' 0 C--O 1.212 -0.912 0 CA-C-O 121.612 0.72 . . . . 0.0 109.864 -178.682 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 7.1 m -58.26 -41.9 85.25 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 114.498 -1.228 . . . . 0.0 110.406 -175.467 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 26.0 mmtp -67.31 -48.86 66.36 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.097 -179.282 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 -72.14 -32.19 66.69 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 119.892 -0.723 . . . . 0.0 109.949 -177.603 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -108.4 108.17 19.03 Favored 'General case' 0 N--CA 1.486 1.374 0 N-CA-C 109.894 -0.41 . . . . 0.0 109.894 -179.419 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.484 ' NE2' ' N ' ' A' ' 45' ' ' GLN . 1.1 mp0 -63.22 -50.6 69.59 Favored 'General case' 0 C--O 1.238 0.497 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.611 -177.237 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 61.9 m-20 -105.04 -2.04 24.92 Favored 'General case' 0 N--CA 1.478 0.973 0 CA-C-N 118.301 0.5 . . . . 0.0 111.559 -179.558 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 51.37 22.67 7.71 Favored Glycine 0 N--CA 1.476 1.362 0 C-N-CA 121.067 -0.587 . . . . 0.0 112.645 -179.681 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -118.15 -14.35 9.9 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 122.788 0.435 . . . . 0.0 111.747 -178.325 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -122.77 167.97 12.83 Favored 'General case' 0 N--CA 1.477 0.904 0 CA-C-O 121.557 0.694 . . . . 0.0 110.56 -177.802 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -75.4 149.83 38.49 Favored 'General case' 0 CA--C 1.519 -0.212 0 C-N-CA 125.018 1.327 . . . . 0.0 109.496 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 95.7 mt -88.9 120.16 30.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.662 0.744 . . . . 0.0 110.936 -176.036 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.492 HG22 ' N ' ' A' ' 53' ' ' GLU . 63.8 m -79.12 168.62 19.37 Favored 'General case' 0 N--CA 1.438 -1.042 0 CA-C-N 114.241 -1.345 . . . . 0.0 107.986 -177.363 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.492 ' N ' HG22 ' A' ' 52' ' ' THR . 87.6 mt-10 -70.04 -52.05 27.15 Favored 'General case' 0 C--O 1.208 -1.125 0 CA-C-N 113.751 -1.568 . . . . 0.0 110.324 -178.776 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -54.13 -50.26 67.32 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 119.889 -0.725 . . . . 0.0 109.678 -173.647 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 44.0 tp10 -62.68 -51.52 66.89 Favored 'General case' 0 C--O 1.222 -0.352 0 CA-C-O 120.769 0.319 . . . . 0.0 110.292 178.644 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 36.7 t-80 -58.36 -51.75 68.48 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.503 -178.192 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -58.08 -34.56 70.28 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 121.064 -0.254 . . . . 0.0 111.239 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 48.4 tt0 -66.89 -54.37 22.92 Favored 'General case' 0 CA--C 1.538 0.515 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 -179.557 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 36.0 mmt -62.4 -34.72 77.28 Favored 'General case' 0 C--N 1.351 0.645 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 179.638 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 72.4 ttt180 -58.48 -48.1 81.89 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 119.542 -0.863 . . . . 0.0 110.091 -178.245 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -60.07 -41.93 93.44 Favored 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 179.422 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -62.8 -39.37 94.06 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 115.422 -0.808 . . . . 0.0 109.382 178.346 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.75 -47.61 84.45 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.453 -177.914 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.431 ' HA ' ' HE ' ' A' ' 67' ' ' ARG . 75.3 tt0 -57.32 -43.8 83.61 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-O 121.11 0.481 . . . . 0.0 110.088 -179.84 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -62.52 -41.82 99.11 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.469 179.38 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 91.3 mt-10 -62.57 -48.48 79.3 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 110.129 -0.322 . . . . 0.0 110.129 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.431 ' HE ' ' HA ' ' A' ' 64' ' ' GLU . 86.0 mtm180 -53.61 -42.52 67.8 Favored 'General case' 0 N--CA 1.475 0.797 0 O-C-N 123.036 0.21 . . . . 0.0 110.785 -179.096 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 74.3 tt0 -61.04 -65.77 0.64 Allowed 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 120.893 -0.323 . . . . 0.0 110.408 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 74.7 m-20 -56.16 -43.04 77.94 Favored 'General case' 0 N--CA 1.477 0.881 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.185 -178.763 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 57.2 tp -58.61 -34.57 71.27 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.683 -179.696 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -71.99 -55.13 7.97 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 -178.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 77.1 mt -67.52 -6.21 18.71 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.568 -179.167 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -58.92 98.49 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 110.132 -0.322 . . . . 0.0 110.132 179.625 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 72.7 m80 -67.09 -25.27 66.14 Favored 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 37.0 t -62.2 -17.92 59.54 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.743 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 69.2 m -58.29 -36.98 74.12 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.132 179.403 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 10.9 mp -64.14 152.67 87.43 Favored Pre-proline 0 CA--C 1.551 0.985 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.705 -178.394 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_exo . . . . . 0 N--CA 1.508 2.371 0 C-N-CA 122.572 2.181 . . . . 0.0 113.019 177.896 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 36.2 t . . . . . 0 N--CA 1.467 0.386 0 CA-C-O 120.618 0.246 . . . . 0.0 111.431 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 74.5 mm-40 -67.45 -46.67 72.38 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 115.969 -0.559 . . . . 0.0 109.912 178.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 85.3 p -62.4 -42.56 99.52 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-O 120.99 0.424 . . . . 0.0 110.692 179.582 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 45.1 mt -65.18 -37.4 87.22 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.697 -179.129 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 79.6 ttt180 -59.27 -44.01 92.47 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 116.125 -0.488 . . . . 0.0 109.974 -179.63 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 98.2 mm-40 -58.78 152.49 18.92 Favored 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 179.324 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 144.62 18.95 0.19 Allowed Glycine 0 N--CA 1.475 1.28 0 N-CA-C 110.391 -1.084 . . . . 0.0 110.391 -178.379 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -67.13 59.35 0.24 Allowed Glycine 0 N--CA 1.472 1.088 0 N-CA-C 111.357 -0.697 . . . . 0.0 111.357 -179.482 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 63.65 -73.36 0.04 OUTLIER Glycine 0 C--N 1.337 0.637 0 N-CA-C 111.597 -0.601 . . . . 0.0 111.597 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 56.7 mtpt -82.58 107.57 15.32 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.9 tp -150.46 136.5 18.5 Favored 'General case' 0 C--O 1.224 -0.285 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 178.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.413 ' ND2' ' N ' ' A' ' 18' ' ' ASN . 0.1 OUTLIER -149.43 156.45 42.04 Favored 'General case' 0 CA--C 1.511 -0.553 0 N-CA-C 108.385 -0.968 . . . . 0.0 108.385 -179.694 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 44.0 p90 -31.27 -36.2 0.01 OUTLIER 'General case' 0 C--O 1.206 -1.192 0 O-C-N 124.945 1.403 . . . . 0.0 112.593 -177.358 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -71.71 -45.87 60.44 Favored 'General case' 0 N--CA 1.482 1.134 0 CA-C-O 121.719 0.771 . . . . 0.0 112.579 179.457 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 65.4 mm-40 -61.51 -45.93 92.13 Favored 'General case' 0 N--CA 1.483 1.223 0 N-CA-C 112.543 0.571 . . . . 0.0 112.543 -177.431 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.401 HD12 ' N ' ' A' ' 23' ' ' ARG . 2.6 pp -76.5 -46.89 24.72 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 115.233 -0.894 . . . . 0.0 112.406 178.162 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.401 ' N ' HD12 ' A' ' 22' ' ' LEU . 3.9 tmm_? -60.4 -49.41 77.7 Favored 'General case' 0 N--CA 1.495 1.797 0 C-N-CA 120.619 -0.432 . . . . 0.0 111.678 -175.695 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -59.17 -34.61 72.32 Favored 'General case' 0 CA--C 1.504 -0.793 0 CA-C-N 116.192 -0.458 . . . . 0.0 112.131 -178.63 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -71.49 -47.83 53.01 Favored 'General case' 0 N--CA 1.447 -0.595 0 CA-C-O 121.621 0.724 . . . . 0.0 110.409 176.375 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 60.7 mt -63.82 -31.8 73.09 Favored 'General case' 0 N--CA 1.498 1.973 0 CA-C-N 114.971 -1.013 . . . . 0.0 111.899 -176.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.4 ttpt -55.12 -43.88 74.51 Favored 'General case' 0 CA--C 1.549 0.933 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.786 178.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -63.2 -34.76 90.84 Favored Glycine 0 N--CA 1.474 1.207 0 N-CA-C 111.274 -0.73 . . . . 0.0 111.274 179.441 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -70.69 2.48 4.09 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 122.962 0.505 . . . . 0.0 111.517 -179.135 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 72.15 19.7 78.69 Favored Glycine 0 N--CA 1.46 0.272 0 CA-C-N 115.703 -0.681 . . . . 0.0 111.639 177.283 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -66.82 162.35 21.77 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 117.964 0.882 . . . . 0.0 110.181 -179.732 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 72.9 p -90.99 158.51 16.66 Favored 'General case' 0 CA--C 1.502 -0.89 0 CA-C-N 115.716 -0.675 . . . . 0.0 109.516 -176.398 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.457 ' O ' ' HG3' ' A' ' 37' ' ' GLU . 72.2 m-20 -63.29 -44.92 93.66 Favored 'General case' 0 C--O 1.212 -0.897 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 -179.825 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.18 -46.15 86.28 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 120.43 -0.508 . . . . 0.0 110.453 -179.134 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 65.2 mm-40 -65.64 -46.16 80.24 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-O 121.366 0.603 . . . . 0.0 110.475 -177.266 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 64.7 mt -56.85 -48.58 81.03 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.856 0 CA-C-N 114.673 -1.148 . . . . 0.0 108.65 -179.037 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.457 ' HG3' ' O ' ' A' ' 33' ' ' ASP . 77.1 mt-10 -59.56 -48.6 81.04 Favored 'General case' 0 CA--C 1.501 -0.916 0 C-N-CA 122.945 0.498 . . . . 0.0 111.592 -179.482 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.6 -44.78 95.44 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.964 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.4 mp -62.32 -47.86 91.05 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.946 0 C-N-CA 118.923 -1.111 . . . . 0.0 112.752 -174.676 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -67.74 -43.78 79.09 Favored 'General case' 0 CA--C 1.501 -0.936 0 CA-C-O 121.393 0.615 . . . . 0.0 110.198 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 26.9 m -58.02 -44.98 87.63 Favored 'General case' 0 C--N 1.347 0.471 0 CA-C-N 114.385 -1.279 . . . . 0.0 111.357 -176.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -64.78 -50.25 67.51 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 120.652 -0.419 . . . . 0.0 110.542 -179.667 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 36.6 m-85 -72.06 -33.01 67.6 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 119.022 -1.071 . . . . 0.0 110.175 -178.455 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -103.17 100.53 10.45 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 122.742 0.417 . . . . 0.0 110.439 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 34.6 mm-40 -63.24 -52.33 62.57 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-O 118.778 -0.63 . . . . 0.0 111.601 -176.525 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -106.94 -2.77 20.9 Favored 'General case' 0 C--N 1.364 1.237 0 CA-C-N 119.343 0.974 . . . . 0.0 111.611 177.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 39.91 42.8 2.3 Favored Glycine 0 N--CA 1.496 2.692 0 CA-C-N 117.717 0.235 . . . . 0.0 113.602 -178.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -115.57 -23.4 8.78 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 123.484 0.714 . . . . 0.0 111.627 -178.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.448 ' H ' ' NE2' ' A' ' 49' ' ' GLN . 2.5 pm0 -127.88 174.51 9.09 Favored 'General case' 0 N--CA 1.486 1.328 0 CA-C-O 121.441 0.639 . . . . 0.0 110.731 -178.352 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 19.8 mp0 -76.18 147.3 38.54 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 114.799 -1.091 . . . . 0.0 109.377 179.611 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -91.67 118.91 31.07 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.592 -177.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.0 t -79.75 -178.48 6.42 Favored 'General case' 0 N--CA 1.426 -1.668 0 CA-C-N 114.437 -1.256 . . . . 0.0 108.437 -175.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 92.3 mt-10 -69.44 -58.51 3.9 Favored 'General case' 0 C--N 1.299 -1.593 0 CA-C-N 113.058 -1.883 . . . . 0.0 111.633 -178.133 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 94.5 m-70 -56.88 -50.71 71.68 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 120.319 -0.553 . . . . 0.0 110.901 -174.503 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -60.22 -50.76 72.4 Favored 'General case' 0 C--N 1.343 0.296 0 CA-C-N 118.731 0.696 . . . . 0.0 110.608 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 55.3 t-80 -62.67 -50.54 70.78 Favored 'General case' 0 CA--C 1.549 0.942 0 CA-C-O 119.367 -0.349 . . . . 0.0 111.908 -179.471 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.676 HE21 ' N ' ' A' ' 57' ' ' GLN . 0.0 OUTLIER -62.53 -40.5 96.97 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-N 118.312 0.506 . . . . 0.0 111.479 -179.212 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 46.2 tt0 -59.4 -54.6 44.85 Favored 'General case' 0 N--CA 1.481 1.083 0 CA-C-N 118.086 0.403 . . . . 0.0 110.735 -177.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 36.4 mmt -62.1 -38.89 90.58 Favored 'General case' 0 C--N 1.348 0.515 0 O-C-N 122.445 -0.16 . . . . 0.0 110.677 -179.406 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 71.3 ttp85 -58.81 -48.2 82.12 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.466 -176.697 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 77.5 m-20 -62.83 -43.31 99.14 Favored 'General case' 0 CA--C 1.531 0.216 0 N-CA-C 109.897 -0.408 . . . . 0.0 109.897 179.071 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 56.2 m-20 -63.2 -47.04 84.25 Favored 'General case' 0 CA--C 1.545 0.775 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.587 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -64.28 -46.08 85.22 Favored 'General case' 0 N--CA 1.476 0.863 0 O-C-N 122.311 -0.243 . . . . 0.0 110.677 179.623 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 75.8 tt0 -58.26 -47.91 82.09 Favored 'General case' 0 C--N 1.348 0.539 0 C-N-CA 120.517 -0.473 . . . . 0.0 110.379 179.481 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 33.7 mmtm -60.85 -38.25 84.91 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 122.683 0.393 . . . . 0.0 111.662 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 90.4 mt-10 -70.81 -43.12 69.29 Favored 'General case' 0 N--CA 1.475 0.788 0 O-C-N 123.44 0.462 . . . . 0.0 109.875 178.36 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -55.01 -45.11 75.09 Favored 'General case' 0 N--CA 1.477 0.898 0 CA-C-O 120.698 0.285 . . . . 0.0 111.0 -179.27 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 . . . . . 0 N--CA 1.473 0.676 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 179.102 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 37.1 t . . . . . 0 N--CA 1.473 0.695 0 N-CA-C 112.012 0.375 . . . . 0.0 112.012 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -60.95 -40.71 94.38 Favored 'General case' 0 N--CA 1.481 1.117 0 CA-C-O 120.488 0.185 . . . . 0.0 110.927 -179.146 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 52.0 m -68.46 -47.38 67.28 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-O 121.155 0.502 . . . . 0.0 109.767 178.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 81.2 mt -63.27 -35.43 80.32 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.778 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 68.0 ttt-85 -58.84 -26.03 63.79 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 116.517 -0.311 . . . . 0.0 110.912 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -52.66 -69.24 0.12 Allowed 'General case' 0 N--CA 1.48 1.032 0 CA-C-O 120.562 0.22 . . . . 0.0 110.728 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 66.1 18.34 66.82 Favored Glycine 0 N--CA 1.471 0.967 0 N-CA-C 110.696 -0.962 . . . . 0.0 110.696 179.561 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -48.81 -20.38 1.77 Allowed Glycine 0 CA--C 1.53 0.989 0 N-CA-C 112.308 -0.317 . . . . 0.0 112.308 -179.676 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 105.83 -73.3 0.22 Allowed Glycine 0 N--CA 1.476 1.354 0 N-CA-C 110.369 -1.093 . . . . 0.0 110.369 179.461 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 57.2 mtpt -68.89 108.3 3.42 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.8 mt -146.85 128.9 15.53 Favored 'General case' 0 N--CA 1.483 1.216 0 N-CA-C 108.358 -0.979 . . . . 0.0 108.358 179.321 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.431 ' ND2' ' H ' ' A' ' 20' ' ' ASP . 5.8 t30 -131.51 143.71 50.59 Favored 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 107.078 -1.452 . . . . 0.0 107.078 179.122 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 51.1 p90 -31.37 -34.24 0.01 OUTLIER 'General case' 0 C--O 1.21 -0.988 0 O-C-N 124.245 0.966 . . . . 0.0 113.066 -176.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.431 ' H ' ' ND2' ' A' ' 18' ' ' ASN . 31.3 t70 -73.29 -45.13 57.4 Favored 'General case' 0 N--CA 1.481 1.095 0 N-CA-C 112.596 0.591 . . . . 0.0 112.596 178.408 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 68.8 mm-40 -60.88 -44.92 96.43 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 112.785 0.661 . . . . 0.0 112.785 -177.137 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.9 pp -76.85 -46.34 25.06 Favored 'General case' 0 CA--C 1.549 0.923 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.401 177.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.7 tmm_? -61.1 -49.85 75.64 Favored 'General case' 0 N--CA 1.485 1.284 0 O-C-N 122.356 -0.215 . . . . 0.0 111.353 -176.226 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -56.1 -35.36 66.96 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 112.422 0.527 . . . . 0.0 112.422 -178.644 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -72.74 -48.52 37.95 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 113.287 0.847 . . . . 0.0 113.287 177.298 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 24.9 mt -61.42 -31.57 71.5 Favored 'General case' 0 N--CA 1.483 1.193 0 CA-C-N 115.229 -0.896 . . . . 0.0 111.22 -177.317 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -56.42 -43.96 79.89 Favored 'General case' 0 CA--C 1.547 0.828 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 178.454 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -63.98 -35.91 92.6 Favored Glycine 0 CA--C 1.535 1.291 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.414 178.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -70.39 4.4 2.33 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 122.69 0.396 . . . . 0.0 111.503 -179.268 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 71.44 19.48 77.69 Favored Glycine 0 N--CA 1.469 0.86 0 CA-C-N 115.742 -0.663 . . . . 0.0 112.436 177.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -68.56 162.86 24.87 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 118.081 0.941 . . . . 0.0 110.183 179.37 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 68.2 p -94.57 159.72 14.96 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 115.296 -0.865 . . . . 0.0 110.11 -177.113 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -61.44 -41.57 97.4 Favored 'General case' 0 N--CA 1.462 0.151 0 N-CA-C 109.894 -0.41 . . . . 0.0 109.894 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.72 -47.06 87.16 Favored 'General case' 0 CA--C 1.542 0.672 0 O-C-N 123.324 0.39 . . . . 0.0 110.12 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.436 ' O ' HD13 ' A' ' 39' ' ' ILE . 70.0 mm-40 -67.67 -46.78 71.38 Favored 'General case' 0 N--CA 1.477 0.92 0 O-C-N 121.363 -0.835 . . . . 0.0 110.712 -178.22 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 78.1 mt -57.72 -50.17 78.39 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.86 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.036 -177.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -64.19 -41.68 96.99 Favored 'General case' 0 C--N 1.349 0.562 0 CA-C-O 121.739 0.78 . . . . 0.0 111.754 -177.333 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.71 -44.6 85.63 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-N 115.404 -0.816 . . . . 0.0 111.368 -179.476 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.436 HD13 ' O ' ' A' ' 35' ' ' GLU . 1.4 mp -62.15 -46.45 96.44 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 C-N-CA 119.847 -0.741 . . . . 0.0 112.483 -175.662 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -67.44 -38.4 84.46 Favored 'General case' 0 N--CA 1.478 0.942 0 CA-C-O 121.792 0.806 . . . . 0.0 110.959 -179.054 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 23.7 m -61.77 -46.53 89.19 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 114.219 -1.355 . . . . 0.0 111.861 -176.208 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 60.8 mttp -68.21 -48.94 63.84 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.417 179.349 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -72.36 -32.46 66.48 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 120.325 -0.55 . . . . 0.0 110.799 -177.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -109.64 106.07 15.59 Favored 'General case' 0 N--CA 1.494 1.731 0 N-CA-C 108.096 -1.076 . . . . 0.0 108.096 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 17.3 mm-40 -59.94 -50.4 73.92 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 112.764 0.653 . . . . 0.0 112.764 -176.088 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 28.0 t0 -106.11 -2.42 22.65 Favored 'General case' 0 N--CA 1.49 1.54 0 CA-C-N 119.37 0.987 . . . . 0.0 111.82 178.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 41.17 32.38 0.63 Allowed Glycine 0 N--CA 1.484 1.839 0 N-CA-C 113.811 0.285 . . . . 0.0 113.811 -179.242 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -114.35 -16.38 11.99 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 123.308 0.643 . . . . 0.0 111.497 -178.127 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -130.69 -172.05 2.71 Favored 'General case' 0 N--CA 1.488 1.471 0 C-N-CA 122.78 0.432 . . . . 0.0 110.738 -178.123 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 72.8 mm-40 -75.73 147.25 39.47 Favored 'General case' 0 C--N 1.342 0.244 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 -178.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 41.0 tp -90.42 123.3 34.02 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-O 121.764 0.793 . . . . 0.0 109.661 -176.537 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.461 HG22 ' N ' ' A' ' 53' ' ' GLU . 59.0 m -80.67 167.37 20.1 Favored 'General case' 0 N--CA 1.436 -1.133 0 CA-C-N 114.558 -1.201 . . . . 0.0 110.099 -177.269 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.461 ' N ' HG22 ' A' ' 52' ' ' THR . 71.0 mm-40 -72.34 -48.54 41.12 Favored 'General case' 0 N--CA 1.438 -1.065 0 CA-C-N 112.572 -2.104 . . . . 0.0 109.708 -179.57 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . 0.41 ' H ' HG22 ' A' ' 52' ' ' THR . 84.7 t60 -54.64 -50.68 67.56 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 119.801 -0.76 . . . . 0.0 110.294 -175.602 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 71.4 mt-10 -62.34 -44.74 95.77 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 118.686 0.675 . . . . 0.0 110.112 179.201 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 -65.69 -54.34 28.74 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 111.966 0.358 . . . . 0.0 111.966 -179.085 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.415 HE21 ' H ' ' A' ' 57' ' ' GLN . 0.6 OUTLIER -57.32 -38.51 74.17 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 118.361 0.528 . . . . 0.0 110.752 -178.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 7.6 tp-100 -64.66 -54.59 29.31 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 179.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 30.4 tpp -62.58 -36.01 81.34 Favored 'General case' 0 C--N 1.351 0.644 0 CA-C-O 121.538 0.685 . . . . 0.0 110.893 -179.303 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 70.1 ttp85 -58.7 -47.57 84.11 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.344 -178.239 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -60.91 -36.51 79.46 Favored 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 179.206 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 74.8 m-20 -65.08 -40.22 94.34 Favored 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 178.729 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.2 tp -59.58 -49.2 78.69 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.221 -179.392 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 71.8 mm-40 -57.02 -43.92 82.34 Favored 'General case' 0 CA--C 1.552 1.052 0 C-N-CA 120.594 -0.443 . . . . 0.0 110.187 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 13.4 tmtt? -62.97 -44.52 95.83 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 122.792 0.437 . . . . 0.0 111.256 179.627 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 -66.21 -43.49 86.57 Favored 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 110.225 -0.287 . . . . 0.0 110.225 179.013 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 75.0 mtp180 -55.08 -43.06 73.56 Favored 'General case' 0 N--CA 1.481 1.08 0 CA-C-N 117.009 -0.087 . . . . 0.0 110.896 179.636 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 . . . . . 0 N--CA 1.48 1.062 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 179.414 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 54.1 m . . . . . 0 N--CA 1.469 0.511 0 CA-C-O 119.992 -0.051 . . . . 0.0 110.952 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 75.1 tt0 -70.95 -40.13 72.2 Favored 'General case' 0 N--CA 1.479 0.976 0 N-CA-C 110.544 -0.169 . . . . 0.0 110.544 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 47.5 t -59.86 -51.42 69.77 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-O 121.027 0.441 . . . . 0.0 111.106 -179.19 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 21.0 mt -61.74 -43.56 98.62 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.894 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.448 ' O ' ' N ' ' A' ' 13' ' ' GLY . 59.8 ttp180 -67.04 -54.04 25.45 Favored 'General case' 0 C--N 1.345 0.399 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.33 -179.075 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 53.92 -78.25 0.01 OUTLIER 'General case' 0 CA--C 1.546 0.813 0 CA-C-N 115.422 -0.808 . . . . 0.0 111.23 -179.454 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 11' ' ' ARG . . . 75.78 16.3 80.75 Favored Glycine 0 N--CA 1.468 0.801 0 N-CA-C 110.636 -0.986 . . . . 0.0 110.636 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -74.96 -21.91 77.68 Favored Glycine 0 N--CA 1.469 0.871 0 N-CA-C 110.976 -0.849 . . . . 0.0 110.976 179.675 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 102.53 -33.73 6.32 Favored Glycine 0 N--CA 1.48 1.605 0 N-CA-C 111.154 -0.778 . . . . 0.0 111.154 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 44.8 mtmt -119.94 126.67 51.46 Favored 'General case' 0 N--CA 1.481 1.089 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 179.482 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.2 tp -154.65 138.6 16.34 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 -179.554 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 14.5 p30 -157.05 165.16 36.88 Favored 'General case' 0 CA--C 1.514 -0.405 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 179.316 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 24.0 p90 -31.3 -41.93 0.04 OUTLIER 'General case' 0 C--O 1.203 -1.35 0 O-C-N 124.75 1.281 . . . . 0.0 113.522 -177.368 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -72.24 -44.82 62.3 Favored 'General case' 0 N--CA 1.483 1.186 0 N-CA-C 112.795 0.665 . . . . 0.0 112.795 -179.199 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 65.8 mm-40 -63.07 -45.35 92.59 Favored 'General case' 0 N--CA 1.481 1.1 0 CA-C-N 115.464 -0.789 . . . . 0.0 112.721 -176.017 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.476 HD12 ' N ' ' A' ' 23' ' ' ARG . 1.8 pp -77.5 -47.56 19.28 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.658 -0.701 . . . . 0.0 112.847 178.355 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.476 ' N ' HD12 ' A' ' 22' ' ' LEU . 1.9 ppt_? -60.88 -45.85 92.94 Favored 'General case' 0 N--CA 1.494 1.76 0 C-N-CA 120.082 -0.647 . . . . 0.0 111.899 -173.202 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -56.16 -35.39 67.14 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.711 -0.677 . . . . 0.0 112.193 -178.076 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -72.36 -48.4 42.06 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 123.678 0.791 . . . . 0.0 112.687 178.227 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 95.9 mt -61.91 -31.47 71.78 Favored 'General case' 0 N--CA 1.484 1.251 0 CA-C-N 114.893 -1.048 . . . . 0.0 111.363 -177.427 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.2 ttpt -56.06 -45.45 79.29 Favored 'General case' 0 CA--C 1.547 0.83 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 178.555 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -62.01 -35.51 91.53 Favored Glycine 0 CA--C 1.533 1.173 0 N-CA-C 111.135 -0.786 . . . . 0.0 111.135 178.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -70.68 2.96 3.51 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 122.844 0.458 . . . . 0.0 111.157 -179.364 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 72.04 19.75 78.58 Favored Glycine 0 N--CA 1.466 0.657 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.943 177.776 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -66.93 162.38 22.01 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 117.7 0.75 . . . . 0.0 110.272 179.52 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 60.4 p -96.04 162.99 13.32 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 115.09 -0.959 . . . . 0.0 109.69 -176.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 -61.8 -40.19 94.35 Favored 'General case' 0 C--O 1.234 0.267 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.32 -46.97 87.12 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 179.669 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.42 ' O ' HD13 ' A' ' 39' ' ' ILE . 73.8 mt-10 -69.37 -48.07 62.37 Favored 'General case' 0 N--CA 1.472 0.627 0 O-C-N 121.205 -0.934 . . . . 0.0 110.028 -178.244 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 78.8 mt -57.14 -50.53 76.24 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.812 -176.702 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -64.1 -38.58 91.59 Favored 'General case' 0 C--N 1.349 0.581 0 CA-C-O 121.197 0.522 . . . . 0.0 111.21 -178.306 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.01 -45.36 81.83 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.037 -179.418 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.42 HD13 ' O ' ' A' ' 35' ' ' GLU . 1.4 mp -61.94 -46.59 96.17 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.759 0 C-N-CA 120.082 -0.647 . . . . 0.0 112.035 -175.56 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -67.18 -41.0 86.62 Favored 'General case' 0 CA--C 1.508 -0.642 0 CA-C-O 121.263 0.554 . . . . 0.0 109.53 -179.495 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 16.6 m -61.09 -46.53 90.26 Favored 'General case' 0 C--N 1.35 0.595 0 CA-C-N 114.853 -1.067 . . . . 0.0 111.097 -175.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 60.5 mttp -69.6 -48.79 58.9 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.377 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.668 ' O ' HD11 ' A' ' 51' ' ' LEU . 8.8 m-85 -71.84 -32.09 67.18 Favored 'General case' 0 C--O 1.209 -1.037 0 C-N-CA 119.204 -0.998 . . . . 0.0 109.969 -176.487 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -112.67 105.35 13.49 Favored 'General case' 0 N--CA 1.483 1.191 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 -179.205 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 27.2 mm-40 -60.1 -50.89 71.93 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 120.746 -0.382 . . . . 0.0 111.833 -177.005 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 64.0 m-20 -105.77 -2.48 23.15 Favored 'General case' 0 N--CA 1.482 1.129 0 CA-C-N 118.719 0.69 . . . . 0.0 111.685 179.209 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 48.3 26.47 4.9 Favored Glycine 0 N--CA 1.484 1.9 0 C-N-CA 121.47 -0.395 . . . . 0.0 112.371 -179.286 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 70.4 m-20 -117.43 -18.71 9.76 Favored 'General case' 0 N--CA 1.489 1.493 0 C-N-CA 123.35 0.66 . . . . 0.0 111.848 -178.507 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.5 pp0? -120.19 164.2 16.59 Favored 'General case' 0 N--CA 1.49 1.527 0 C-N-CA 123.276 0.63 . . . . 0.0 110.566 -177.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -76.52 147.41 37.78 Favored 'General case' 0 C--N 1.343 0.298 0 C-N-CA 124.144 0.978 . . . . 0.0 109.516 178.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.668 HD11 ' O ' ' A' ' 43' ' ' TYR . 3.5 mm? -91.93 118.91 31.2 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-O 122.123 0.964 . . . . 0.0 111.06 -178.327 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.9 t -79.9 -178.1 6.29 Favored 'General case' 0 CA--C 1.493 -1.237 0 CA-C-N 113.426 -1.715 . . . . 0.0 108.218 -177.679 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 92.2 mt-10 -65.26 -58.75 5.17 Favored 'General case' 0 C--N 1.308 -1.212 0 CA-C-N 113.782 -1.554 . . . . 0.0 111.026 -177.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 65.9 m80 -54.76 -50.28 68.8 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 120.364 -0.534 . . . . 0.0 110.499 -174.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 70.6 mm-40 -61.22 -48.01 83.45 Favored 'General case' 0 C--O 1.218 -0.597 0 CA-C-N 118.137 0.426 . . . . 0.0 109.965 178.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 41.5 t-80 -62.55 -53.09 59.91 Favored 'General case' 0 CA--C 1.551 1.015 0 N-CA-C 112.363 0.505 . . . . 0.0 112.363 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.447 HE21 ' H ' ' A' ' 57' ' ' GLN . 0.5 OUTLIER -61.53 -38.26 86.75 Favored 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 111.78 0.289 . . . . 0.0 111.78 -178.621 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 83.5 mt-30 -60.83 -53.99 50.65 Favored 'General case' 0 N--CA 1.478 0.932 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 34.2 mmt -63.42 -36.71 84.65 Favored 'General case' 0 C--N 1.344 0.358 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 58.2 ttp180 -60.53 -48.81 80.12 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 119.475 -0.89 . . . . 0.0 110.381 -178.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 75.9 m-20 -62.3 -36.74 83.07 Favored 'General case' 0 C--N 1.344 0.337 0 CA-C-O 120.916 0.389 . . . . 0.0 110.518 -179.232 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 74.1 m-20 -64.32 -41.38 96.85 Favored 'General case' 0 C--O 1.224 -0.259 0 CA-C-N 115.403 -0.817 . . . . 0.0 108.837 179.302 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.2 tp -61.19 -50.27 73.82 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.459 -179.297 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 72.1 mt-10 -57.17 -46.73 82.53 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 120.554 -0.459 . . . . 0.0 109.853 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -60.91 -43.2 98.88 Favored 'General case' 0 N--CA 1.477 0.894 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.37 179.47 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 90.5 mt-10 -66.56 -46.3 76.53 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 179.465 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 76.5 mtp180 -52.64 -46.15 66.97 Favored 'General case' 0 N--CA 1.481 1.122 0 N-CA-C 111.381 0.141 . . . . 0.0 111.381 -179.676 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 . . . . . 0 N--CA 1.479 0.995 0 CA-C-O 120.788 0.327 . . . . 0.0 110.169 179.303 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 50.0 m . . . . . 0 N--CA 1.472 0.631 0 N-CA-C 111.707 0.262 . . . . 0.0 111.707 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 77.0 tt0 -60.46 -39.44 87.59 Favored 'General case' 0 N--CA 1.481 1.077 0 CA-C-N 117.687 0.221 . . . . 0.0 110.497 -178.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 89.0 p -64.22 -39.92 94.96 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 178.629 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 56.4 mt -66.32 -40.78 90.16 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.573 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -58.46 -25.74 62.6 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 122.08 0.152 . . . . 0.0 110.967 -178.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -46.0 -75.95 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.092 0 O-C-N 123.071 0.232 . . . . 0.0 111.059 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 56.69 18.58 24.82 Favored Glycine 0 N--CA 1.474 1.17 0 N-CA-C 110.981 -0.847 . . . . 0.0 110.981 179.152 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -56.41 -7.89 2.29 Favored Glycine 0 CA--C 1.532 1.133 0 N-CA-C 111.833 -0.507 . . . . 0.0 111.833 -179.512 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 105.1 -62.11 0.36 Allowed Glycine 0 N--CA 1.474 1.177 0 N-CA-C 110.54 -1.024 . . . . 0.0 110.54 179.145 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 41.4 mtmt -82.69 107.74 15.54 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 179.704 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.8 tp -151.2 136.2 17.41 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 109.584 -0.525 . . . . 0.0 109.584 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 21.2 p30 -155.56 164.01 39.22 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.057 -0.719 . . . . 0.0 109.057 179.355 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 29.9 p90 -30.95 -40.54 0.03 OUTLIER 'General case' 0 CA--C 1.547 0.862 0 O-C-N 124.641 1.213 . . . . 0.0 113.017 -177.408 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -73.69 -45.32 53.11 Favored 'General case' 0 N--CA 1.486 1.349 0 CA-C-O 121.31 0.576 . . . . 0.0 112.483 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 67.3 mm-40 -61.54 -45.03 95.91 Favored 'General case' 0 N--CA 1.478 0.958 0 CA-C-O 121.185 0.517 . . . . 0.0 112.077 -176.466 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.1 pp -76.46 -46.85 25.08 Favored 'General case' 0 CA--C 1.547 0.832 0 CA-C-N 115.588 -0.733 . . . . 0.0 112.341 178.416 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 8.0 tmm_? -61.31 -49.97 74.84 Favored 'General case' 0 N--CA 1.487 1.418 0 N-CA-C 112.077 0.399 . . . . 0.0 112.077 -175.376 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -59.97 -34.87 73.86 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.903 -178.732 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -71.62 -48.17 49.72 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-O 121.442 0.639 . . . . 0.0 110.203 175.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 22.6 mt -62.97 -32.05 73.3 Favored 'General case' 0 N--CA 1.494 1.735 0 CA-C-N 114.877 -1.056 . . . . 0.0 111.779 -176.546 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.2 ttpt -55.34 -43.39 74.96 Favored 'General case' 0 CA--C 1.55 0.95 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 178.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -64.11 -35.77 92.41 Favored Glycine 0 CA--C 1.534 1.267 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.744 179.081 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -70.55 2.91 3.47 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 122.702 0.401 . . . . 0.0 111.337 -178.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 71.48 19.42 77.71 Favored Glycine 0 N--CA 1.467 0.742 0 CA-C-N 115.707 -0.679 . . . . 0.0 112.275 177.32 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -67.07 162.47 22.17 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-N 117.832 0.816 . . . . 0.0 110.399 179.76 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 71.8 p -90.37 158.91 16.88 Favored 'General case' 0 CA--C 1.503 -0.861 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.44 -176.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.466 ' O ' ' HG3' ' A' ' 37' ' ' GLU . 73.3 m-20 -62.89 -45.21 93.6 Favored 'General case' 0 C--O 1.213 -0.817 0 N-CA-C 109.786 -0.449 . . . . 0.0 109.786 -179.647 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.51 -46.52 86.57 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 120.519 -0.472 . . . . 0.0 110.889 -179.482 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 62.2 mm-40 -65.61 -42.41 91.64 Favored 'General case' 0 N--CA 1.479 0.986 0 CA-C-O 121.175 0.512 . . . . 0.0 110.839 -176.617 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 66.9 mt -57.34 -47.11 85.18 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.514 0 CA-C-N 115.356 -0.838 . . . . 0.0 109.053 179.663 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.466 ' HG3' ' O ' ' A' ' 33' ' ' ASP . 76.8 mt-10 -57.87 -47.03 83.92 Favored 'General case' 0 CA--C 1.507 -0.706 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.53 -179.45 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.11 -44.68 96.98 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.392 -179.622 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.6 mp -63.48 -47.22 92.64 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.9 0 C-N-CA 118.872 -1.131 . . . . 0.0 111.369 -175.444 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -67.95 -44.78 76.0 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-O 121.69 0.757 . . . . 0.0 110.926 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 40.9 m -59.23 -46.72 87.72 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-N 114.312 -1.313 . . . . 0.0 111.803 -176.737 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -69.62 -48.97 58.2 Favored 'General case' 0 N--CA 1.446 -0.655 0 C-N-CA 121.064 -0.255 . . . . 0.0 110.366 -179.64 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 -71.28 -32.14 68.32 Favored 'General case' 0 C--N 1.352 0.699 0 C-N-CA 119.69 -0.804 . . . . 0.0 110.167 -176.667 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -112.24 103.6 11.76 Favored 'General case' 0 N--CA 1.483 1.223 0 N-CA-C 108.998 -0.741 . . . . 0.0 108.998 -179.125 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.451 ' N ' ' NE2' ' A' ' 45' ' ' GLN . 1.2 mp0 -60.19 -51.2 70.58 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-O 118.905 -0.569 . . . . 0.0 111.184 -176.779 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 65.4 m-20 -106.04 -2.23 22.99 Favored 'General case' 0 N--CA 1.488 1.438 0 CA-C-N 119.025 0.83 . . . . 0.0 112.31 179.196 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 43.89 34.57 2.98 Favored Glycine 0 N--CA 1.489 2.231 0 CA-C-N 117.611 0.187 . . . . 0.0 113.423 -178.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -116.19 -19.74 10.12 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 123.329 0.652 . . . . 0.0 112.253 -178.088 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -125.71 169.62 12.36 Favored 'General case' 0 N--CA 1.494 1.773 0 CA-C-O 121.134 0.492 . . . . 0.0 110.984 -177.856 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -75.94 147.1 39.18 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 123.541 0.736 . . . . 0.0 109.208 179.446 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -91.93 118.43 30.74 Favored 'General case' 0 N--CA 1.481 1.095 0 CA-C-O 121.939 0.876 . . . . 0.0 110.598 -178.186 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 4.9 t -79.62 -177.98 6.12 Favored 'General case' 0 CA--C 1.498 -1.048 0 CA-C-N 114.169 -1.378 . . . . 0.0 109.263 -176.515 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 91.1 mt-10 -63.53 -60.77 2.91 Favored 'General case' 0 C--N 1.311 -1.086 0 CA-C-N 114.101 -1.409 . . . . 0.0 111.331 -178.015 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 46.4 t-80 -56.3 -50.41 71.51 Favored 'General case' 0 N--CA 1.479 0.975 0 C-N-CA 120.354 -0.538 . . . . 0.0 110.988 -174.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 44.7 tp10 -60.45 -49.33 77.99 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 118.678 0.672 . . . . 0.0 110.105 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 21.4 t60 -63.54 -50.68 68.58 Favored 'General case' 0 CA--C 1.549 0.916 0 N-CA-C 111.861 0.319 . . . . 0.0 111.861 -179.63 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.67 HE21 ' N ' ' A' ' 57' ' ' GLN . 0.0 OUTLIER -60.18 -42.21 94.53 Favored 'General case' 0 CA--C 1.552 1.026 0 CA-C-N 118.419 0.554 . . . . 0.0 111.443 -178.931 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 79.5 mm-40 -60.18 -54.51 45.02 Favored 'General case' 0 N--CA 1.481 1.118 0 CA-C-N 117.592 0.178 . . . . 0.0 110.966 -178.525 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 35.9 mmt -61.55 -39.99 93.08 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-O 120.956 0.408 . . . . 0.0 110.567 -179.33 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 60.4 ttp180 -59.79 -48.63 80.91 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.809 -178.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -65.34 -35.94 82.52 Favored 'General case' 0 N--CA 1.464 0.258 0 N-CA-C 110.411 -0.218 . . . . 0.0 110.411 179.729 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 79.3 m-20 -66.78 -46.82 74.09 Favored 'General case' 0 C--N 1.341 0.215 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.947 -178.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 10.9 tp -64.56 -47.94 76.88 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.375 -178.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 78.1 tt0 -57.43 -46.55 83.44 Favored 'General case' 0 CA--C 1.547 0.85 0 CA-C-N 118.228 0.467 . . . . 0.0 110.17 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 25.6 mmtp -62.68 -40.97 98.76 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.305 179.756 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 59.7 mm-40 -69.02 -43.48 74.66 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 178.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -54.44 -43.7 71.84 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 122.073 0.149 . . . . 0.0 110.807 -179.289 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 45.2 tp10 . . . . . 0 N--CA 1.474 0.74 0 N-CA-C 109.492 -0.559 . . . . 0.0 109.492 179.639 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 54.7 m . . . . . 0 N--CA 1.47 0.565 0 N-CA-C 110.422 -0.214 . . . . 0.0 110.422 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 39.5 tp10 -61.44 -38.73 88.25 Favored 'General case' 0 N--CA 1.478 0.93 0 CA-C-O 120.811 0.339 . . . . 0.0 110.601 -179.683 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 52.7 m -56.64 -51.29 69.26 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-O 120.797 0.332 . . . . 0.0 110.537 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.721 HD12 ' CE2' ' A' ' 43' ' ' TYR . 4.1 mm? -68.16 -32.91 73.5 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.356 179.201 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 65.1 ttt-85 -58.79 -26.68 64.3 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 116.728 -0.215 . . . . 0.0 110.471 -179.175 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 95.8 mm-40 -43.77 -82.93 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.256 0 O-C-N 123.387 0.43 . . . . 0.0 110.739 178.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.406 ' C ' ' H ' ' A' ' 15' ' ' GLY . . . 62.15 18.37 57.57 Favored Glycine 0 N--CA 1.471 1.014 0 N-CA-C 110.701 -0.96 . . . . 0.0 110.701 179.362 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -53.96 -8.38 1.0 Allowed Glycine 0 CA--C 1.538 1.471 0 N-CA-C 111.815 -0.514 . . . . 0.0 111.815 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.406 ' H ' ' C ' ' A' ' 13' ' ' GLY . . . 106.48 -72.27 0.22 Allowed Glycine 0 N--CA 1.474 1.231 0 N-CA-C 110.484 -1.046 . . . . 0.0 110.484 178.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 56.6 mtpt -74.46 108.9 7.52 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 179.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.7 tp -151.14 135.26 16.72 Favored 'General case' 0 C--O 1.221 -0.433 0 N-CA-C 107.452 -1.314 . . . . 0.0 107.452 179.396 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.501 ' ND2' ' H ' ' A' ' 20' ' ' ASP . 9.6 t30 -135.51 145.82 47.47 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 44.3 p90 -31.83 -32.29 0.01 OUTLIER 'General case' 0 C--O 1.198 -1.613 0 C-N-CA 124.147 0.979 . . . . 0.0 112.281 -178.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.501 ' H ' ' ND2' ' A' ' 18' ' ' ASN . 30.3 t70 -72.53 -45.46 59.2 Favored 'General case' 0 N--CA 1.481 1.082 0 CA-C-O 121.329 0.585 . . . . 0.0 111.973 179.016 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.414 ' N ' ' O ' ' A' ' 18' ' ' ASN . 72.3 mm-40 -59.53 -47.12 86.77 Favored 'General case' 0 N--CA 1.486 1.366 0 CA-C-O 121.401 0.62 . . . . 0.0 111.902 -176.863 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.449 HD12 ' N ' ' A' ' 23' ' ' ARG . 2.6 pp -76.15 -46.83 26.74 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 114.603 -1.18 . . . . 0.0 112.041 178.01 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.449 ' N ' HD12 ' A' ' 22' ' ' LEU . 3.3 ttm-85 -60.33 -49.8 76.14 Favored 'General case' 0 N--CA 1.486 1.353 0 CA-C-O 120.939 0.4 . . . . 0.0 111.074 -175.491 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -58.45 -34.78 71.22 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.938 -0.574 . . . . 0.0 112.301 -178.676 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -70.93 -48.23 54.64 Favored 'General case' 0 N--CA 1.448 -0.551 0 C-N-CA 122.848 0.459 . . . . 0.0 110.345 176.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 54.1 mt -61.76 -31.7 71.9 Favored 'General case' 0 N--CA 1.502 2.173 0 CA-C-N 115.111 -0.949 . . . . 0.0 111.775 -176.702 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 34.8 ttpt -55.38 -45.2 76.58 Favored 'General case' 0 CA--C 1.552 1.055 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 178.471 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -61.63 -34.53 88.84 Favored Glycine 0 CA--C 1.536 1.375 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.721 179.407 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp -70.74 1.33 5.52 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 123.016 0.526 . . . . 0.0 111.406 -178.755 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 71.95 19.56 78.37 Favored Glycine 0 N--CA 1.467 0.753 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 177.325 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -67.29 162.76 22.03 Favored 'General case' 0 C--N 1.351 0.634 0 CA-C-N 117.373 0.586 . . . . 0.0 109.798 179.606 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 49.9 p -95.23 161.96 13.88 Favored 'General case' 0 CA--C 1.507 -0.695 0 CA-C-N 115.189 -0.914 . . . . 0.0 109.415 -176.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 72.3 m-20 -60.25 -42.24 94.9 Favored 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.45 -46.89 85.65 Favored 'General case' 0 C--N 1.352 0.714 0 O-C-N 123.648 0.593 . . . . 0.0 109.899 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -68.67 -47.6 66.09 Favored 'General case' 0 N--CA 1.473 0.7 0 O-C-N 121.633 -0.667 . . . . 0.0 110.136 -177.646 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 82.3 mt -57.98 -51.18 73.83 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 CA-C-N 115.248 -0.887 . . . . 0.0 110.705 -176.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -64.0 -42.07 97.29 Favored 'General case' 0 C--N 1.351 0.669 0 CA-C-O 121.136 0.494 . . . . 0.0 111.415 -177.559 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.23 -45.93 82.66 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 115.195 -0.911 . . . . 0.0 110.962 -178.484 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.3 mp -61.55 -47.26 94.21 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.423 0 CA-C-O 121.066 0.46 . . . . 0.0 111.008 -174.102 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -67.85 -42.1 81.91 Favored 'General case' 0 C--O 1.205 -1.251 0 CA-C-O 121.619 0.723 . . . . 0.0 110.447 -179.506 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 15.5 m -58.32 -45.25 88.4 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 114.827 -1.078 . . . . 0.0 111.077 -175.77 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -67.09 -49.11 66.11 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.061 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.721 ' CE2' HD12 ' A' ' 10' ' ' LEU . 16.7 m-85 -71.62 -31.06 66.48 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 120.506 -0.478 . . . . 0.0 111.02 -177.5 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.447 ' N ' ' OD1' ' A' ' 44' ' ' ASP . 0.3 OUTLIER -105.77 104.6 14.35 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 108.636 -0.875 . . . . 0.0 108.636 -179.149 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.462 ' N ' ' NE2' ' A' ' 45' ' ' GLN . 0.4 OUTLIER -62.77 -52.22 64.06 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 120.233 -0.587 . . . . 0.0 111.359 -177.087 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 64.1 m-20 -107.26 -2.92 20.27 Favored 'General case' 0 C--N 1.362 1.122 0 CA-C-N 119.041 0.837 . . . . 0.0 111.049 178.285 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 42.75 37.89 2.96 Favored Glycine 0 N--CA 1.492 2.389 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 -178.212 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -116.78 -19.75 9.78 Favored 'General case' 0 N--CA 1.491 1.589 0 C-N-CA 123.832 0.853 . . . . 0.0 112.157 -178.649 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.42 ' H ' ' NE2' ' A' ' 49' ' ' GLN . 2.7 pm0 -131.07 175.99 8.63 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 123.354 0.662 . . . . 0.0 110.226 -177.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 71.7 mt-10 -76.17 147.9 38.13 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 114.677 -1.147 . . . . 0.0 109.5 179.589 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 16.8 mt -90.92 119.17 30.9 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.173 -177.329 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 6.9 t -79.78 -178.39 6.38 Favored 'General case' 0 CA--C 1.489 -1.367 0 CA-C-N 115.122 -0.945 . . . . 0.0 108.72 -177.076 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -68.8 -58.3 4.38 Favored 'General case' 0 C--N 1.305 -1.33 0 CA-C-N 113.407 -1.724 . . . . 0.0 110.661 -177.613 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 80.9 t60 -55.13 -50.13 70.04 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 119.724 -0.79 . . . . 0.0 110.065 -173.668 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 66.3 tt0 -57.94 -51.17 70.76 Favored 'General case' 0 C--O 1.218 -0.553 0 CA-C-N 118.044 0.383 . . . . 0.0 110.214 178.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.506 ' HE2' HH21 ' A' ' 60' ' ' ARG . 21.1 t60 -62.76 -52.16 64.3 Favored 'General case' 0 CA--C 1.546 0.827 0 N-CA-C 111.965 0.357 . . . . 0.0 111.965 -179.039 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -58.85 -36.7 75.01 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-N 117.687 0.221 . . . . 0.0 111.445 -179.17 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 48.0 tt0 -65.64 -54.37 28.55 Favored 'General case' 0 CA--C 1.541 0.612 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 -179.55 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 34.1 mmt -62.77 -35.1 78.72 Favored 'General case' 0 C--N 1.353 0.736 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.506 HH21 ' HE2' ' A' ' 56' ' ' HIS . 36.0 ttm180 -59.45 -48.98 79.56 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 119.422 -0.911 . . . . 0.0 110.012 -179.019 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -62.49 -36.43 82.49 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-O 120.715 0.293 . . . . 0.0 110.673 -179.652 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 60.7 m-20 -66.23 -44.83 82.64 Favored 'General case' 0 C--O 1.221 -0.415 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.036 -179.601 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 62.7 tp -60.56 -48.02 83.62 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.775 -179.24 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -57.03 -46.58 82.29 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 110.154 -0.313 . . . . 0.0 110.154 -178.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 57.3 mtpt -59.23 -42.02 90.03 Favored 'General case' 0 CA--C 1.551 0.993 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.411 178.481 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -69.88 -42.83 72.95 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 179.494 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 61.9 mtp85 -50.67 -38.92 49.33 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 122.061 0.144 . . . . 0.0 110.755 -179.455 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 . . . . . 0 N--CA 1.483 1.186 0 CA-C-O 120.797 0.332 . . . . 0.0 110.336 178.846 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 48.1 m . . . . . 0 N--CA 1.473 0.696 0 CA-C-O 120.422 0.153 . . . . 0.0 111.228 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -61.72 -43.41 98.91 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-O 120.506 0.193 . . . . 0.0 110.73 179.399 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 60.7 p -67.81 -45.68 74.05 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-O 121.06 0.457 . . . . 0.0 109.809 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 66.1 mt -61.88 -30.34 70.8 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.535 179.224 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 57.6 ttm-85 -58.46 -27.24 64.21 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.496 -179.198 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -53.66 -93.86 0.0 OUTLIER 'General case' 0 CA--C 1.544 0.737 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.004 179.405 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 60.55 18.71 52.3 Favored Glycine 0 C--N 1.345 1.083 0 N-CA-C 111.079 -0.808 . . . . 0.0 111.079 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -66.52 53.85 0.2 Allowed Glycine 0 C--N 1.344 0.977 0 N-CA-C 111.619 -0.592 . . . . 0.0 111.619 -178.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 68.6 -65.73 0.43 Allowed Glycine 0 C--N 1.337 0.62 0 N-CA-C 111.928 -0.469 . . . . 0.0 111.928 178.672 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.692 ' O ' HD22 ' A' ' 17' ' ' LEU . 71.2 mmtt -88.65 106.6 18.43 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 109.716 -0.475 . . . . 0.0 109.716 -179.768 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.692 HD22 ' O ' ' A' ' 16' ' ' LYS . 1.7 mm? -140.07 125.54 19.06 Favored 'General case' 0 C--O 1.21 -0.976 0 O-C-N 124.159 0.912 . . . . 0.0 108.822 179.307 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.454 ' O ' ' N ' ' A' ' 21' ' ' GLU . 0.8 OUTLIER -136.46 141.69 43.55 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 108.053 -1.091 . . . . 0.0 108.053 -179.768 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 54.7 p90 -33.44 -30.1 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.306 1.042 . . . . 0.0 113.185 -178.69 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -66.95 -45.7 76.95 Favored 'General case' 0 C--O 1.21 -1.02 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 179.277 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 18' ' ' ASN . 69.2 mm-40 -59.35 -41.02 88.24 Favored 'General case' 0 N--CA 1.476 0.872 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.812 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.542 HD21 HD12 ' A' ' 17' ' ' LEU . 61.6 mt -74.88 -47.98 27.25 Favored 'General case' 0 N--CA 1.48 1.037 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.837 178.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 36.6 ttm180 -62.17 -54.29 43.11 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.737 -178.236 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 51.7 mm-40 -59.88 -36.47 76.98 Favored 'General case' 0 CA--C 1.501 -0.93 0 CA-C-N 115.562 -0.745 . . . . 0.0 111.811 -176.311 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 39.1 t70 -72.17 -49.43 35.78 Favored 'General case' 0 N--CA 1.444 -0.756 0 CA-C-O 121.285 0.564 . . . . 0.0 110.645 175.314 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 38.3 mt -62.73 -32.42 73.53 Favored 'General case' 0 N--CA 1.489 1.524 0 CA-C-N 114.609 -1.178 . . . . 0.0 111.842 -177.103 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.8 ttmm -54.89 -45.22 74.65 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 120.085 -0.646 . . . . 0.0 110.423 178.724 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -62.46 -29.89 74.74 Favored Glycine 0 N--CA 1.472 1.065 0 CA-C-N 115.752 -0.658 . . . . 0.0 112.296 -179.215 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -71.06 5.72 1.94 Allowed 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 122.579 0.352 . . . . 0.0 111.73 -178.448 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 70.59 12.19 69.79 Favored Glycine 0 N--CA 1.47 0.913 0 N-CA-C 111.248 -0.741 . . . . 0.0 111.248 176.662 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -66.75 161.93 22.52 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 -179.249 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 70.6 p -88.96 160.47 17.12 Favored 'General case' 0 CA--C 1.507 -0.675 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.068 -177.098 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 58.8 m-20 -58.02 -44.29 87.24 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.743 179.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.21 -47.32 85.78 Favored 'General case' 0 N--CA 1.471 0.606 0 O-C-N 123.691 0.619 . . . . 0.0 109.821 -179.417 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.407 ' O ' HD13 ' A' ' 39' ' ' ILE . 70.1 mm-40 -69.26 -44.81 71.16 Favored 'General case' 0 N--CA 1.472 0.638 0 O-C-N 121.485 -0.759 . . . . 0.0 110.782 -177.7 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 87.1 mt -58.67 -50.46 79.07 Favored 'Isoleucine or valine' 0 C--O 1.242 0.689 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.745 -177.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -63.57 -40.5 97.15 Favored 'General case' 0 C--N 1.345 0.397 0 CA-C-O 121.254 0.549 . . . . 0.0 111.429 -176.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.75 -45.25 87.24 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 115.151 -0.931 . . . . 0.0 111.746 -177.615 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.407 HD13 ' O ' ' A' ' 35' ' ' GLU . 1.4 mp -62.31 -46.34 96.65 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 C-N-CA 119.549 -0.86 . . . . 0.0 111.821 -174.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -67.59 -42.85 81.83 Favored 'General case' 0 C--O 1.206 -1.192 0 CA-C-O 121.798 0.809 . . . . 0.0 109.229 -179.076 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 16.4 m -58.26 -44.16 88.23 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 114.809 -1.087 . . . . 0.0 111.039 -176.153 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -66.21 -48.99 68.8 Favored 'General case' 0 N--CA 1.442 -0.847 0 C-N-CA 119.958 -0.697 . . . . 0.0 110.0 -178.414 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 17.6 m-85 -71.46 -31.28 66.98 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 120.201 -0.599 . . . . 0.0 110.136 -177.616 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.47 ' N ' ' OD1' ' A' ' 44' ' ' ASP . 0.4 OUTLIER -101.22 107.53 18.94 Favored 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 -179.344 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.49 ' N ' ' NE2' ' A' ' 45' ' ' GLN . 0.6 OUTLIER -63.41 -51.78 64.36 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-O 119.147 -0.454 . . . . 0.0 111.677 -176.199 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 36.0 t0 -107.39 -2.77 20.24 Favored 'General case' 0 N--CA 1.481 1.11 0 CA-C-N 118.696 0.68 . . . . 0.0 111.448 177.22 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 48.72 25.25 4.68 Favored Glycine 0 N--CA 1.484 1.87 0 C-N-CA 121.277 -0.487 . . . . 0.0 112.461 -178.062 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -117.75 -19.22 9.38 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 123.365 0.666 . . . . 0.0 111.854 -178.569 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -121.96 170.59 9.66 Favored 'General case' 0 N--CA 1.487 1.403 0 CA-C-O 121.373 0.606 . . . . 0.0 110.331 -177.756 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 -77.02 147.97 36.48 Favored 'General case' 0 C--O 1.234 0.284 0 C-N-CA 123.665 0.786 . . . . 0.0 110.312 179.744 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 18.5 mt -91.13 118.07 30.13 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 120.938 0.399 . . . . 0.0 110.962 -176.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.2 t -79.67 -178.27 6.28 Favored 'General case' 0 N--CA 1.44 -0.96 0 CA-C-N 115.114 -0.948 . . . . 0.0 108.846 -176.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 74.3 mt-10 -70.4 -57.03 5.26 Favored 'General case' 0 C--N 1.31 -1.148 0 CA-C-N 114.54 -1.209 . . . . 0.0 110.748 -177.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 56.4 t-80 -54.43 -50.9 66.54 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 119.957 -0.697 . . . . 0.0 110.231 -173.134 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 71.7 mm-40 -60.54 -51.24 70.25 Favored 'General case' 0 C--O 1.217 -0.638 0 CA-C-N 117.983 0.356 . . . . 0.0 110.361 179.003 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 32.6 t60 -60.09 -52.7 64.23 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 111.716 0.265 . . . . 0.0 111.716 -179.495 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -59.41 -37.0 76.9 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 117.766 0.257 . . . . 0.0 111.492 -179.002 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 50.8 tt0 -63.85 -54.38 35.81 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 -179.214 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 35.0 mmt -62.34 -35.65 79.77 Favored 'General case' 0 C--N 1.348 0.518 0 N-CA-C 109.619 -0.511 . . . . 0.0 109.619 179.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 59.2 ttp180 -59.61 -49.02 79.38 Favored 'General case' 0 C--N 1.347 0.489 0 C-N-CA 119.614 -0.835 . . . . 0.0 110.007 -178.37 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 75.8 m-20 -63.25 -36.43 83.62 Favored 'General case' 0 C--O 1.221 -0.445 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 -179.629 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -64.41 -44.03 92.52 Favored 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 -179.662 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 57.0 tp -61.28 -49.84 75.42 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.547 -179.36 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.4 tp10 -57.5 -45.74 84.57 Favored 'General case' 0 CA--C 1.545 0.768 0 CA-C-O 121.21 0.528 . . . . 0.0 109.911 -178.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 62.1 mmtt -57.12 -41.07 78.31 Favored 'General case' 0 N--CA 1.476 0.836 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.662 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 72.8 mt-10 -76.77 -34.31 58.02 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.034 178.584 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 63.6 ttt-85 -51.97 -39.35 59.2 Favored 'General case' 0 C--N 1.353 0.746 0 C-N-CA 122.53 0.332 . . . . 0.0 111.134 -179.181 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 . . . . . 0 N--CA 1.481 1.124 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.089 179.406 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 86.7 p . . . . . 0 N--CA 1.474 0.758 0 N-CA-C 111.622 0.23 . . . . 0.0 111.622 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 43.3 tp10 -61.82 -45.47 93.68 Favored 'General case' 0 N--CA 1.479 0.984 0 N-CA-C 110.086 -0.339 . . . . 0.0 110.086 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 42.5 t -65.4 -43.14 91.56 Favored 'General case' 0 N--CA 1.481 1.079 0 CA-C-O 120.972 0.415 . . . . 0.0 110.731 179.115 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.457 ' N ' HD12 ' A' ' 10' ' ' LEU . 8.0 mp -64.93 -30.14 71.11 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.509 -179.665 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 34.4 ttm180 -58.21 -26.01 62.3 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 110.102 -0.333 . . . . 0.0 110.102 -178.379 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -50.2 -79.16 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.097 178.626 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 55.3 17.92 12.82 Favored Glycine 0 N--CA 1.473 1.163 0 N-CA-C 110.839 -0.905 . . . . 0.0 110.839 179.443 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -58.58 -6.08 3.17 Favored Glycine 0 CA--C 1.526 0.776 0 N-CA-C 111.614 -0.594 . . . . 0.0 111.614 -179.699 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 107.61 -69.65 0.21 Allowed Glycine 0 C--N 1.35 1.332 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 178.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 41.9 mtmt -82.08 113.85 20.23 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.5 tp -153.39 139.35 18.17 Favored 'General case' 0 C--O 1.216 -0.708 0 N-CA-C 108.111 -1.07 . . . . 0.0 108.111 179.345 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.415 ' ND2' ' N ' ' A' ' 18' ' ' ASN . 0.1 OUTLIER -148.53 154.99 40.55 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.047 0.842 . . . . 0.0 108.737 -178.901 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 41.3 p90 -31.22 -35.11 0.01 OUTLIER 'General case' 0 C--O 1.178 -2.686 0 O-C-N 124.831 1.332 . . . . 0.0 112.629 -177.536 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -72.46 -44.6 62.1 Favored 'General case' 0 C--O 1.204 -1.293 0 CA-C-N 117.703 0.229 . . . . 0.0 111.507 -178.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 73.4 mm-40 -63.55 -48.33 77.92 Favored 'General case' 0 N--CA 1.479 1.023 0 CA-C-O 121.81 0.815 . . . . 0.0 112.309 -176.375 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.0 pp -76.57 -47.16 23.41 Favored 'General case' 0 N--CA 1.483 1.218 0 CA-C-N 114.846 -1.07 . . . . 0.0 112.632 179.554 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.4 ttt180 -61.4 -50.98 70.68 Favored 'General case' 0 N--CA 1.489 1.476 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.653 -175.299 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -56.28 -36.45 68.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.41 -0.813 . . . . 0.0 112.032 -177.635 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -72.11 -49.49 35.79 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 123.767 0.827 . . . . 0.0 113.018 177.461 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 95.0 mt -61.04 -31.57 71.2 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 124.385 1.053 . . . . 0.0 111.198 -177.455 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.2 ttpp -55.84 -44.59 78.12 Favored 'General case' 0 CA--C 1.551 1.015 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 178.687 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -62.54 -31.76 80.88 Favored Glycine 0 CA--C 1.532 1.094 0 N-CA-C 111.741 -0.544 . . . . 0.0 111.741 -179.69 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 43.5 mmtm -71.95 2.29 5.85 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.405 0.682 . . . . 0.0 111.033 -178.561 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 71.57 19.48 77.85 Favored Glycine 0 N--CA 1.471 0.984 0 N-CA-C 111.597 -0.601 . . . . 0.0 111.597 178.213 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -68.39 162.07 26.18 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 117.487 0.643 . . . . 0.0 109.893 179.583 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 70.3 p -92.29 159.01 15.8 Favored 'General case' 0 CA--C 1.502 -0.894 0 CA-C-N 115.912 -0.585 . . . . 0.0 109.488 -176.369 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.52 ' O ' ' HG3' ' A' ' 37' ' ' GLU . 72.2 m-20 -60.88 -44.67 96.77 Favored 'General case' 0 C--O 1.211 -0.951 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 -179.85 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.95 -46.46 85.04 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 120.12 -0.632 . . . . 0.0 110.246 -179.048 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.412 ' O ' HD13 ' A' ' 39' ' ' ILE . 94.9 mt-10 -65.9 -48.89 69.97 Favored 'General case' 0 N--CA 1.48 1.059 0 CA-C-O 121.095 0.474 . . . . 0.0 110.497 -177.422 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 77.2 mt -56.44 -49.7 75.94 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.756 0 CA-C-N 115.221 -0.899 . . . . 0.0 108.882 -177.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.52 ' HG3' ' O ' ' A' ' 33' ' ' ASP . 92.0 mt-10 -61.47 -44.85 96.37 Favored 'General case' 0 CA--C 1.502 -0.871 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.692 -178.622 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.27 -45.67 92.51 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.462 -178.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.412 HD13 ' O ' ' A' ' 35' ' ' GLU . 1.5 mp -62.99 -46.94 95.02 Favored 'Isoleucine or valine' 0 N--CA 1.509 2.51 0 C-N-CA 119.623 -0.831 . . . . 0.0 111.96 -174.727 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -68.11 -46.11 71.82 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-O 121.604 0.716 . . . . 0.0 110.513 179.666 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 48.8 m -58.75 -45.12 90.43 Favored 'General case' 0 C--O 1.238 0.458 0 CA-C-N 114.855 -1.066 . . . . 0.0 111.402 -177.311 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 54.3 mtpt -69.32 -49.25 57.56 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.964 -179.62 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -71.11 -31.07 67.32 Favored 'General case' 0 N--CA 1.484 1.227 0 CA-C-O 119.602 -0.237 . . . . 0.0 110.44 -176.67 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.408 ' OD1' ' NE2' ' A' ' 49' ' ' GLN . 10.1 t0 -108.82 105.55 15.16 Favored 'General case' 0 N--CA 1.483 1.197 0 N-CA-C 107.783 -1.191 . . . . 0.0 107.783 179.548 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.492 ' N ' ' NE2' ' A' ' 45' ' ' GLN . 0.5 OUTLIER -59.12 -50.41 74.14 Favored 'General case' 0 C--O 1.24 0.579 0 N-CA-C 112.559 0.577 . . . . 0.0 112.559 -175.671 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 55.6 m-20 -105.06 -1.66 25.37 Favored 'General case' 0 N--CA 1.48 1.07 0 CA-C-N 118.831 0.741 . . . . 0.0 111.817 -179.555 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 54.67 21.39 21.73 Favored Glycine 0 N--CA 1.482 1.752 0 C-N-CA 121.245 -0.502 . . . . 0.0 112.272 179.719 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 62.9 m-20 -116.84 -16.14 10.62 Favored 'General case' 0 N--CA 1.495 1.807 0 C-N-CA 123.604 0.762 . . . . 0.0 112.773 -176.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.408 ' NE2' ' OD1' ' A' ' 44' ' ' ASP . 3.3 pm0 -122.64 173.56 7.64 Favored 'General case' 0 N--CA 1.488 1.43 0 CA-C-O 121.916 0.865 . . . . 0.0 110.961 -178.247 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 89.4 mt-10 -76.23 149.1 37.25 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 113.907 -1.497 . . . . 0.0 108.908 179.111 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.1 mp -89.16 120.19 30.33 Favored 'General case' 0 CA--C 1.54 0.596 0 CA-C-O 121.632 0.73 . . . . 0.0 109.374 -176.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 91.6 m -79.35 164.81 23.75 Favored 'General case' 0 CA--C 1.493 -1.238 0 CA-C-N 114.549 -1.205 . . . . 0.0 108.295 -176.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 74.9 mt-10 -65.79 -54.41 27.29 Favored 'General case' 0 C--N 1.305 -1.329 0 CA-C-N 113.479 -1.691 . . . . 0.0 110.492 -178.186 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 42.3 m80 -56.18 -50.76 70.29 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 120.205 -0.598 . . . . 0.0 110.41 -173.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -64.18 -49.39 72.23 Favored 'General case' 0 CA--C 1.537 0.464 0 N-CA-C 110.207 -0.294 . . . . 0.0 110.207 179.341 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.457 ' HE2' ' HA ' ' A' ' 10' ' ' LEU . 42.3 t-80 -59.1 -50.96 72.05 Favored 'General case' 0 CA--C 1.546 0.822 0 CA-C-N 116.554 -0.293 . . . . 0.0 111.115 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.683 HE21 ' N ' ' A' ' 57' ' ' GLN . 0.0 OUTLIER -61.88 -34.32 75.81 Favored 'General case' 0 CA--C 1.549 0.914 0 CA-C-N 118.107 0.412 . . . . 0.0 110.972 179.907 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 65.4 tp60 -63.69 -54.26 38.37 Favored 'General case' 0 N--CA 1.479 1.006 0 CA-C-O 121.196 0.522 . . . . 0.0 110.353 -178.441 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 35.1 mmt -61.34 -34.63 75.6 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-O 121.0 0.428 . . . . 0.0 109.99 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 69.1 ttp85 -58.85 -47.79 83.61 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 115.877 -0.602 . . . . 0.0 109.661 -178.722 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 75.0 m-20 -61.31 -38.4 86.72 Favored 'General case' 0 CA--C 1.538 0.508 0 N-CA-C 109.797 -0.445 . . . . 0.0 109.797 179.466 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 64.5 m-20 -66.58 -40.09 88.76 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.444 179.148 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 44.6 tp -61.01 -49.24 78.23 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 116.803 -0.181 . . . . 0.0 110.738 -179.158 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 70.6 mm-40 -56.94 -43.55 81.64 Favored 'General case' 0 CA--C 1.551 0.986 0 N-CA-C 109.789 -0.449 . . . . 0.0 109.789 -179.328 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -62.77 -44.1 97.07 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 122.737 0.415 . . . . 0.0 111.223 178.114 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 65.7 mm-40 -66.41 -45.51 79.72 Favored 'General case' 0 N--CA 1.482 1.168 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 179.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 77.3 mtp180 -54.46 -42.54 70.75 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 122.233 0.213 . . . . 0.0 110.577 179.28 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 74.9 tt0 . . . . . 0 N--CA 1.478 0.937 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 179.578 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 84.4 p . . . . . 0 N--CA 1.472 0.633 0 N-CA-C 111.52 0.192 . . . . 0.0 111.52 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 77.3 tt0 -64.5 -45.94 85.1 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-O 120.641 0.258 . . . . 0.0 110.684 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 78.7 p -70.71 -45.97 63.97 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 110.117 -0.327 . . . . 0.0 110.117 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 19.7 mt -58.98 -29.66 67.37 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.151 -179.419 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.622 HH22 HH22 ' A' ' 60' ' ' ARG . 57.5 ttt85 -58.29 -41.11 83.69 Favored 'General case' 0 N--CA 1.47 0.531 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 -179.687 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 53.14 -124.32 2.28 Favored 'General case' 0 CA--C 1.559 1.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.055 179.626 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 75.88 15.74 81.13 Favored Glycine 0 C--N 1.345 1.082 0 N-CA-C 111.07 -0.812 . . . . 0.0 111.07 179.758 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -80.92 4.81 68.4 Favored Glycine 0 N--CA 1.471 1.018 0 N-CA-C 110.817 -0.913 . . . . 0.0 110.817 179.37 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 68.05 -73.4 0.28 Allowed Glycine 0 CA--C 1.53 1.018 0 N-CA-C 110.916 -0.874 . . . . 0.0 110.916 -179.515 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -84.91 113.33 21.32 Favored 'General case' 0 N--CA 1.485 1.278 0 N-CA-C 107.891 -1.152 . . . . 0.0 107.891 179.407 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.449 HD22 HD21 ' A' ' 22' ' ' LEU . 11.2 mt -151.88 139.2 19.39 Favored 'General case' 0 C--O 1.216 -0.679 0 O-C-N 123.892 0.745 . . . . 0.0 109.732 -179.453 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.404 ' O ' ' N ' ' A' ' 21' ' ' GLU . 2.3 p-10 -141.48 145.47 35.25 Favored 'General case' 0 C--N 1.316 -0.85 0 N-CA-C 107.041 -1.466 . . . . 0.0 107.041 178.769 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 32.1 p90 -32.6 -32.29 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 124.865 1.266 . . . . 0.0 113.888 -177.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -70.64 -45.77 64.56 Favored 'General case' 0 C--O 1.213 -0.853 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 -177.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.404 ' N ' ' O ' ' A' ' 18' ' ' ASN . 70.1 mm-40 -59.47 -39.91 85.2 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 115.196 -0.911 . . . . 0.0 110.12 179.756 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.449 HD21 HD22 ' A' ' 17' ' ' LEU . 66.5 mt -74.77 -47.99 27.98 Favored 'General case' 0 N--CA 1.48 1.035 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.591 178.411 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 33.2 ttm180 -62.28 -53.85 49.13 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.69 -0.687 . . . . 0.0 110.454 -178.244 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 50.2 mm-40 -60.22 -37.57 80.73 Favored 'General case' 0 CA--C 1.504 -0.803 0 CA-C-N 115.262 -0.881 . . . . 0.0 112.282 -176.691 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -72.3 -49.17 36.58 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-O 121.357 0.599 . . . . 0.0 110.208 175.679 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 45.0 mt -63.19 -32.22 73.56 Favored 'General case' 0 N--CA 1.492 1.643 0 CA-C-N 114.42 -1.263 . . . . 0.0 112.061 -176.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 32.8 ttmt -55.16 -45.67 75.73 Favored 'General case' 0 CA--C 1.558 1.252 0 C-N-CA 120.235 -0.586 . . . . 0.0 110.734 178.566 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -62.21 -29.41 72.89 Favored Glycine 0 CA--C 1.532 1.15 0 CA-C-N 115.861 -0.609 . . . . 0.0 112.872 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -70.9 7.32 1.19 Allowed 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 122.644 0.378 . . . . 0.0 111.772 -178.34 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 70.68 11.48 69.05 Favored Glycine 0 N--CA 1.47 0.907 0 N-CA-C 111.287 -0.725 . . . . 0.0 111.287 176.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -66.85 161.62 23.48 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 -179.76 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 68.4 p -89.94 159.72 16.78 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 115.663 -0.698 . . . . 0.0 109.933 -176.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 17.3 p-10 -57.8 -44.26 86.2 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 116.567 -0.288 . . . . 0.0 110.684 179.739 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.32 -46.69 87.89 Favored 'General case' 0 N--CA 1.475 0.776 0 O-C-N 123.559 0.537 . . . . 0.0 110.24 -179.638 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.459 ' O ' HD13 ' A' ' 39' ' ' ILE . 72.2 mm-40 -70.06 -46.82 64.16 Favored 'General case' 0 N--CA 1.47 0.565 0 O-C-N 121.59 -0.694 . . . . 0.0 110.421 -178.111 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 83.3 mt -56.56 -50.05 75.04 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.669 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.646 -177.023 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -62.73 -41.1 99.02 Favored 'General case' 0 C--N 1.346 0.425 0 CA-C-O 120.912 0.386 . . . . 0.0 111.411 -177.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.49 -45.37 83.87 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 115.403 -0.817 . . . . 0.0 112.115 -178.496 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.459 HD13 ' O ' ' A' ' 35' ' ' GLU . 1.5 mp -62.59 -46.68 95.79 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.882 0 C-N-CA 120.317 -0.553 . . . . 0.0 111.564 -175.118 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -67.44 -42.0 83.86 Favored 'General case' 0 C--O 1.214 -0.804 0 CA-C-O 121.784 0.802 . . . . 0.0 109.765 -179.199 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 11.4 m -58.59 -44.28 89.77 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-N 114.743 -1.117 . . . . 0.0 110.992 -176.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 62.0 tttp -65.89 -48.52 71.22 Favored 'General case' 0 N--CA 1.442 -0.873 0 C-N-CA 120.302 -0.559 . . . . 0.0 109.776 -179.268 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -71.74 -31.11 66.33 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 120.277 -0.569 . . . . 0.0 110.666 -177.405 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -105.66 106.99 17.75 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 -179.718 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.469 ' N ' ' NE2' ' A' ' 45' ' ' GLN . 0.7 OUTLIER -63.57 -51.64 64.5 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-O 119.116 -0.468 . . . . 0.0 111.803 -176.736 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 64.9 m-20 -106.91 -2.52 21.2 Favored 'General case' 0 N--CA 1.484 1.246 0 CA-C-N 118.844 0.747 . . . . 0.0 111.379 178.023 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 48.89 24.45 4.33 Favored Glycine 0 N--CA 1.484 1.84 0 N-CA-C 112.137 -0.385 . . . . 0.0 112.137 -178.134 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -118.25 -20.46 8.56 Favored 'General case' 0 N--CA 1.489 1.517 0 C-N-CA 123.485 0.714 . . . . 0.0 112.378 -178.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -120.16 168.97 10.67 Favored 'General case' 0 N--CA 1.488 1.439 0 C-N-CA 123.314 0.646 . . . . 0.0 110.481 -177.293 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -76.63 147.82 37.32 Favored 'General case' 0 C--O 1.233 0.236 0 C-N-CA 124.117 0.967 . . . . 0.0 109.779 179.253 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 19.6 mt -91.12 118.36 30.36 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 121.352 0.596 . . . . 0.0 110.046 -176.617 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.7 t -80.36 -178.05 6.45 Favored 'General case' 0 CA--C 1.496 -1.122 0 CA-C-N 114.917 -1.038 . . . . 0.0 108.834 -177.389 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 88.5 mt-10 -69.22 -56.1 8.61 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 114.19 -1.368 . . . . 0.0 110.302 -178.131 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -54.01 -50.29 66.96 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 120.079 -0.648 . . . . 0.0 110.099 -174.018 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -59.02 -52.71 64.6 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 177.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 21.5 t-80 -58.47 -53.83 53.91 Favored 'General case' 0 CA--C 1.55 0.967 0 N-CA-C 111.905 0.335 . . . . 0.0 111.905 179.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.408 ' N ' ' NE2' ' A' ' 57' ' ' GLN . 0.8 OUTLIER -58.73 -34.52 71.44 Favored 'General case' 0 N--CA 1.473 0.709 0 O-C-N 122.457 -0.152 . . . . 0.0 111.12 -178.702 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -66.87 -54.5 21.69 Favored 'General case' 0 CA--C 1.544 0.728 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 33.5 mmt -61.82 -36.05 80.0 Favored 'General case' 0 C--N 1.352 0.712 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 -179.477 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.622 HH22 HH22 ' A' ' 11' ' ' ARG . 76.6 ttt180 -59.69 -49.35 78.07 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 119.452 -0.899 . . . . 0.0 109.641 -179.531 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -60.07 -36.87 78.3 Favored 'General case' 0 N--CA 1.477 0.88 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 -179.079 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -66.09 -36.79 84.14 Favored 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 178.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.4 tp -62.57 -49.95 73.25 Favored 'General case' 0 C--N 1.343 0.319 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.276 -179.589 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 72.0 mt-10 -57.39 -43.43 83.66 Favored 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 109.735 -0.468 . . . . 0.0 109.735 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 57.2 mttp -57.84 -39.04 76.75 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 122.329 0.252 . . . . 0.0 111.118 179.417 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -48.95 -32.52 9.23 Favored 'General case' 0 N--CA 1.486 1.332 0 CA-C-O 121.746 0.784 . . . . 0.0 110.354 -179.114 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -56.59 -47.3 79.86 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 114.127 -1.397 . . . . 0.0 110.034 -178.22 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 78.7 tt0 . . . . . 0 N--CA 1.47 0.574 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 179.72 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 41.3 t . . . . . 0 N--CA 1.473 0.696 0 CA-C-O 120.566 0.222 . . . . 0.0 111.382 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 74.4 mt-10 -68.11 -38.26 82.08 Favored 'General case' 0 CA--C 1.547 0.829 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.339 178.782 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 87.3 p -63.36 -51.35 66.27 Favored 'General case' 0 N--CA 1.483 1.195 0 CA-C-O 120.522 0.201 . . . . 0.0 111.419 -179.263 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 10.1 mp -62.26 -41.47 98.48 Favored 'General case' 0 N--CA 1.483 1.191 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 179.696 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.458 ' O ' ' N ' ' A' ' 13' ' ' GLY . 40.2 ttm180 -59.84 -52.49 65.21 Favored 'General case' 0 N--CA 1.477 0.876 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 179.829 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.431 ' HG2' HD13 ' A' ' 17' ' ' LEU . 60.8 tp60 54.51 -81.6 0.01 OUTLIER 'General case' 0 CA--C 1.554 1.126 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.967 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 11' ' ' ARG . . . 67.23 16.52 67.01 Favored Glycine 0 N--CA 1.474 1.195 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 178.833 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -85.47 -8.37 80.89 Favored Glycine 0 N--CA 1.473 1.14 0 N-CA-C 111.08 -0.808 . . . . 0.0 111.08 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 82.03 -67.53 3.66 Favored Glycine 0 N--CA 1.479 1.51 0 N-CA-C 111.161 -0.776 . . . . 0.0 111.161 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 57.3 mtpt -72.63 108.42 5.64 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 179.049 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.446 HD11 ' HB3' ' A' ' 22' ' ' LEU . 23.7 tp -148.93 130.69 15.07 Favored 'General case' 0 CA--C 1.532 0.257 0 N-CA-C 108.223 -1.028 . . . . 0.0 108.223 -179.805 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.464 ' ND2' ' CE1' ' A' ' 19' ' ' PHE . 6.5 p-10 -152.56 163.12 40.22 Favored 'General case' 0 N--CA 1.465 0.317 0 N-CA-C 107.742 -1.207 . . . . 0.0 107.742 179.288 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.464 ' CE1' ' ND2' ' A' ' 18' ' ' ASN . 28.6 p90 -32.14 -44.42 0.09 Allowed 'General case' 0 C--O 1.191 -2.019 0 O-C-N 124.544 1.153 . . . . 0.0 112.658 -178.634 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -72.68 -45.25 59.79 Favored 'General case' 0 N--CA 1.479 1.014 0 CA-C-N 118.302 0.501 . . . . 0.0 111.659 -178.537 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -63.15 -47.06 84.29 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-N 116.025 -0.534 . . . . 0.0 112.166 -176.096 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.446 ' HB3' HD11 ' A' ' 17' ' ' LEU . 1.7 pp -76.67 -46.84 24.11 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 112.834 0.679 . . . . 0.0 112.834 179.514 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.2 ttt180 -62.75 -53.03 60.63 Favored 'General case' 0 N--CA 1.487 1.403 0 CA-C-O 120.929 0.395 . . . . 0.0 111.746 -174.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 -58.16 -34.33 70.18 Favored 'General case' 0 CA--C 1.512 -0.496 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.955 -178.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -71.25 -47.89 54.36 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.341 0.591 . . . . 0.0 110.366 177.132 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 24.4 mt -62.12 -31.39 71.85 Favored 'General case' 0 N--CA 1.496 1.831 0 CA-C-N 114.38 -1.282 . . . . 0.0 111.821 -176.443 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 32.6 ttmt -55.45 -44.3 76.23 Favored 'General case' 0 CA--C 1.553 1.068 0 CA-C-O 121.355 0.597 . . . . 0.0 109.557 178.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -61.98 -35.62 91.67 Favored Glycine 0 CA--C 1.538 1.469 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.884 179.014 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -70.37 -0.28 7.89 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 123.02 0.528 . . . . 0.0 111.022 -178.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 71.68 19.53 78.01 Favored Glycine 0 N--CA 1.474 1.176 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.74 178.134 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -66.64 162.75 20.4 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-N 117.553 0.677 . . . . 0.0 109.771 178.827 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 54.1 p -96.18 160.31 14.5 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-N 115.593 -0.73 . . . . 0.0 109.505 -177.01 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -59.97 -40.57 89.55 Favored 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 110.383 -0.229 . . . . 0.0 110.383 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.09 -47.22 86.05 Favored 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.459 ' O ' HD13 ' A' ' 39' ' ' ILE . 72.5 mt-10 -68.36 -46.03 71.19 Favored 'General case' 0 N--CA 1.472 0.668 0 O-C-N 121.72 -0.613 . . . . 0.0 110.542 -177.833 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 85.5 mt -59.76 -50.59 79.48 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.799 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.682 -177.234 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -63.04 -42.55 99.76 Favored 'General case' 0 C--N 1.351 0.65 0 CA-C-O 121.93 0.871 . . . . 0.0 111.741 -177.349 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.1 -44.98 82.8 Favored 'General case' 0 CA--C 1.552 1.027 0 CA-C-N 115.289 -0.869 . . . . 0.0 111.307 -179.448 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.459 HD13 ' O ' ' A' ' 35' ' ' GLU . 1.2 mp -61.52 -46.88 95.65 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.551 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.521 -173.46 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -67.92 -41.58 82.4 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-O 121.655 0.74 . . . . 0.0 111.264 -179.541 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 15.4 m -59.35 -45.81 90.37 Favored 'General case' 0 C--O 1.238 0.486 0 CA-C-N 114.231 -1.35 . . . . 0.0 111.279 -175.384 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 60.3 mttp -68.66 -49.66 57.31 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.053 -179.13 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 -74.84 -32.47 61.94 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 120.075 -0.65 . . . . 0.0 111.796 -177.21 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -103.06 109.66 21.3 Favored 'General case' 0 N--CA 1.484 1.251 0 N-CA-C 107.099 -1.445 . . . . 0.0 107.099 177.61 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.446 ' N ' ' NE2' ' A' ' 45' ' ' GLN . 0.5 OUTLIER -62.54 -51.04 68.98 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-O 119.121 -0.466 . . . . 0.0 111.504 -175.937 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 27.0 t0 -106.43 -2.05 22.52 Favored 'General case' 0 N--CA 1.484 1.237 0 CA-C-N 118.564 0.62 . . . . 0.0 111.193 178.4 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 53.25 22.34 14.33 Favored Glycine 0 N--CA 1.477 1.368 0 C-N-CA 121.296 -0.478 . . . . 0.0 112.58 -179.148 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -118.06 -8.95 10.63 Favored 'General case' 0 N--CA 1.492 1.644 0 C-N-CA 123.705 0.802 . . . . 0.0 111.508 -178.689 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -124.76 163.14 22.76 Favored 'General case' 0 N--CA 1.483 1.192 0 CA-C-O 121.553 0.692 . . . . 0.0 110.242 -177.028 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -75.73 147.78 39.07 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 114.486 -1.234 . . . . 0.0 108.44 179.601 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.4 tp -90.77 119.8 31.28 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-O 121.732 0.777 . . . . 0.0 109.701 -177.507 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.2 t -80.71 -179.64 7.35 Favored 'General case' 0 CA--C 1.494 -1.191 0 CA-C-N 114.349 -1.296 . . . . 0.0 109.805 -177.409 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -70.01 -52.78 21.42 Favored 'General case' 0 N--CA 1.435 -1.216 0 CA-C-N 113.43 -1.713 . . . . 0.0 110.724 -177.429 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 93.0 m-70 -54.15 -50.62 66.54 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 120.398 -0.521 . . . . 0.0 110.452 -174.142 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 77.3 mt-10 -61.96 -40.44 95.58 Favored 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 177.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.414 ' CE1' ' O ' ' A' ' 11' ' ' ARG . 17.5 t60 -63.73 -48.78 75.69 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.297 179.578 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 10.2 mm-40 -53.17 -42.58 66.33 Favored 'General case' 0 N--CA 1.489 1.491 0 CA-C-N 118.004 0.365 . . . . 0.0 111.782 -178.667 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -62.97 -49.67 73.78 Favored 'General case' 0 N--CA 1.48 1.031 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 178.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.4 ' SD ' ' N ' ' A' ' 60' ' ' ARG . 0.7 OUTLIER -59.28 -42.94 92.43 Favored 'General case' 0 C--N 1.347 0.479 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 179.144 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.4 ' N ' ' SD ' ' A' ' 59' ' ' MET . 67.8 ttp85 -59.49 -48.4 81.81 Favored 'General case' 0 C--N 1.353 0.719 0 C-N-CA 120.44 -0.504 . . . . 0.0 110.01 -177.831 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 74.8 m-20 -61.05 -36.57 79.93 Favored 'General case' 0 CA--C 1.536 0.436 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 179.167 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 58.2 m-20 -68.97 -37.88 79.03 Favored 'General case' 0 C--N 1.345 0.401 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 179.759 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 50.5 tp -61.05 -50.39 73.51 Favored 'General case' 0 C--N 1.35 0.6 0 C-N-CA 121.05 -0.26 . . . . 0.0 110.366 -179.283 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 76.2 tt0 -57.31 -44.22 83.95 Favored 'General case' 0 CA--C 1.552 1.02 0 CA-C-O 120.947 0.404 . . . . 0.0 110.193 -179.616 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 28.4 mmtp -62.21 -45.41 93.49 Favored 'General case' 0 CA--C 1.551 0.981 0 CA-C-N 115.965 -0.562 . . . . 0.0 111.307 179.32 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 92.3 mt-10 -64.92 -43.41 92.9 Favored 'General case' 0 N--CA 1.479 0.984 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 178.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 57.1 mtp85 -53.78 -44.6 70.21 Favored 'General case' 0 N--CA 1.481 1.117 0 N-CA-C 110.657 -0.127 . . . . 0.0 110.657 179.413 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 78.0 tt0 . . . . . 0 N--CA 1.479 0.975 0 N-CA-C 109.859 -0.422 . . . . 0.0 109.859 179.4 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 53.3 m . . . . . 0 CA--C 1.541 0.631 0 CA-C-O 120.42 0.152 . . . . 0.0 111.104 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 74.4 mt-10 -73.96 -42.46 60.48 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 122.233 0.213 . . . . 0.0 110.713 178.353 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 95.7 p -61.3 -47.97 83.52 Favored 'General case' 0 N--CA 1.482 1.147 0 CA-C-O 120.67 0.272 . . . . 0.0 110.809 -179.234 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 59.8 mt -61.75 -43.89 97.96 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.31 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.475 ' O ' ' N ' ' A' ' 13' ' ' GLY . 78.5 mtp180 -66.39 -53.69 32.96 Favored 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 110.202 -0.296 . . . . 0.0 110.202 179.62 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 67.4 tp60 56.79 -74.56 0.02 OUTLIER 'General case' 0 CA--C 1.546 0.823 0 O-C-N 124.087 0.867 . . . . 0.0 110.73 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 11' ' ' ARG . . . 79.3 16.62 77.94 Favored Glycine 0 C--N 1.341 0.861 0 N-CA-C 110.701 -0.96 . . . . 0.0 110.701 179.505 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -77.32 -19.3 76.9 Favored Glycine 0 N--CA 1.471 1.001 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 179.766 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 96.23 -30.49 8.57 Favored Glycine 0 N--CA 1.483 1.817 0 N-CA-C 111.289 -0.725 . . . . 0.0 111.289 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 45.5 mtmt -120.08 127.77 52.86 Favored 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 123.314 0.646 . . . . 0.0 109.589 179.324 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.5 mt -138.49 110.83 7.42 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 -178.183 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -129.66 139.14 51.46 Favored 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 107.634 -1.247 . . . . 0.0 107.634 179.374 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 40.3 p90 -31.17 -33.88 0.01 OUTLIER 'General case' 0 C--O 1.197 -1.68 0 O-C-N 124.651 1.22 . . . . 0.0 113.018 -178.381 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -74.11 -45.87 46.32 Favored 'General case' 0 N--CA 1.478 0.926 0 CA-C-O 121.349 0.595 . . . . 0.0 112.509 -178.622 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.71 -45.9 92.44 Favored 'General case' 0 N--CA 1.484 1.228 0 CA-C-O 121.871 0.844 . . . . 0.0 111.523 -175.031 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.487 HD12 ' N ' ' A' ' 23' ' ' ARG . 2.7 pp -75.92 -47.23 26.09 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 113.681 -1.599 . . . . 0.0 111.75 -179.711 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.487 ' N ' HD12 ' A' ' 22' ' ' LEU . 5.1 ttt180 -59.39 -51.01 71.74 Favored 'General case' 0 N--CA 1.477 0.904 0 CA-C-O 120.959 0.409 . . . . 0.0 110.97 -177.618 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -58.37 -34.68 70.96 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.878 -179.713 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -70.96 -47.93 56.21 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-O 120.951 0.405 . . . . 0.0 110.367 177.188 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 41.4 mt -61.93 -31.45 71.77 Favored 'General case' 0 N--CA 1.501 2.121 0 CA-C-N 114.602 -1.181 . . . . 0.0 112.028 -176.622 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 34.4 ttpt -55.87 -44.89 78.51 Favored 'General case' 0 CA--C 1.554 1.123 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 178.561 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -61.81 -34.36 88.46 Favored Glycine 0 CA--C 1.535 1.331 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.914 179.239 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -70.6 2.31 4.2 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 122.918 0.487 . . . . 0.0 111.3 -179.114 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 71.46 19.86 77.96 Favored Glycine 0 N--CA 1.475 1.26 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 177.658 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -67.58 162.99 22.23 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 117.637 0.719 . . . . 0.0 110.216 179.202 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 72.3 p -94.04 159.5 15.13 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 115.282 -0.872 . . . . 0.0 109.639 -177.156 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 -60.57 -41.57 94.89 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.275 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.58 -46.87 87.67 Favored 'General case' 0 N--CA 1.476 0.862 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 -179.643 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.437 ' O ' HD13 ' A' ' 39' ' ' ILE . 72.2 mm-40 -68.26 -48.02 66.15 Favored 'General case' 0 N--CA 1.474 0.744 0 O-C-N 121.55 -0.719 . . . . 0.0 110.448 -178.166 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 82.7 mt -56.85 -50.44 75.22 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.867 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.737 -177.154 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -62.77 -42.07 99.52 Favored 'General case' 0 C--N 1.352 0.677 0 CA-C-O 121.55 0.691 . . . . 0.0 111.044 -177.547 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.4 -45.74 89.63 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 115.432 -0.804 . . . . 0.0 111.786 -178.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.437 HD13 ' O ' ' A' ' 35' ' ' GLU . 1.4 mp -61.69 -46.83 95.7 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.881 0 N-CA-C 112.016 0.376 . . . . 0.0 112.016 -175.195 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.406 ' CB ' HD11 ' A' ' 22' ' ' LEU . 0.6 OUTLIER -67.66 -41.05 84.37 Favored 'General case' 0 C--O 1.21 -1.003 0 CA-C-O 121.881 0.848 . . . . 0.0 109.773 -179.685 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 32.2 m -59.46 -46.45 88.74 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 114.93 -1.032 . . . . 0.0 111.287 -177.139 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -70.0 -48.38 58.38 Favored 'General case' 0 N--CA 1.44 -0.974 0 C-N-CA 120.526 -0.469 . . . . 0.0 109.979 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.467 ' OH ' HD23 ' A' ' 63' ' ' LEU . 13.0 m-85 -70.77 -30.17 66.59 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 120.527 -0.469 . . . . 0.0 110.915 -176.105 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -114.98 108.33 16.56 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 108.134 -1.062 . . . . 0.0 108.134 179.539 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 18.4 mm-40 -60.62 -50.85 71.85 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-O 118.932 -0.556 . . . . 0.0 111.943 -177.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 38.3 t0 -106.31 -2.15 22.61 Favored 'General case' 0 C--N 1.365 1.267 0 CA-C-N 118.835 0.743 . . . . 0.0 111.09 178.672 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 51.52 22.01 7.35 Favored Glycine 0 N--CA 1.48 1.592 0 CA-C-O 119.753 -0.471 . . . . 0.0 112.49 -179.177 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 48.3 m-20 -117.59 -13.44 10.26 Favored 'General case' 0 N--CA 1.491 1.62 0 C-N-CA 123.506 0.723 . . . . 0.0 111.763 -178.427 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.1 pp0? -123.82 158.63 31.36 Favored 'General case' 0 N--CA 1.493 1.705 0 C-N-CA 123.291 0.636 . . . . 0.0 110.956 -178.002 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -76.19 148.36 37.78 Favored 'General case' 0 C--N 1.349 0.564 0 C-N-CA 124.483 1.113 . . . . 0.0 109.567 179.056 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 19.4 mt -91.07 117.69 29.8 Favored 'General case' 0 N--CA 1.481 1.12 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.725 -177.076 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 4.7 t -80.22 -177.85 6.3 Favored 'General case' 0 CA--C 1.489 -1.377 0 N-CA-C 108.466 -0.939 . . . . 0.0 108.466 -177.103 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 72.4 mt-10 -61.52 -60.31 3.89 Favored 'General case' 0 C--N 1.311 -1.088 0 CA-C-N 114.804 -1.089 . . . . 0.0 110.894 -178.209 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 81.8 t60 -54.59 -50.81 67.12 Favored 'General case' 0 N--CA 1.485 1.303 0 C-N-CA 120.15 -0.62 . . . . 0.0 109.937 -174.684 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -59.95 -50.42 73.83 Favored 'General case' 0 C--O 1.215 -0.713 0 CA-C-N 118.327 0.512 . . . . 0.0 109.896 178.585 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 54.2 t-80 -59.59 -52.14 66.81 Favored 'General case' 0 CA--C 1.549 0.909 0 N-CA-C 112.044 0.387 . . . . 0.0 112.044 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.417 HE21 ' H ' ' A' ' 57' ' ' GLN . 0.5 OUTLIER -62.82 -34.27 76.96 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 118.007 0.367 . . . . 0.0 111.161 -179.277 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 56.5 mm-40 -63.38 -54.58 34.63 Favored 'General case' 0 N--CA 1.482 1.154 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 179.682 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 34.0 mmt -61.86 -36.95 82.76 Favored 'General case' 0 C--N 1.353 0.748 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 57.1 ttp180 -60.43 -49.42 77.63 Favored 'General case' 0 CA--C 1.552 1.043 0 C-N-CA 118.972 -1.091 . . . . 0.0 110.17 -179.316 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -60.74 -40.59 92.97 Favored 'General case' 0 N--CA 1.475 0.825 0 CA-C-O 121.289 0.566 . . . . 0.0 110.422 -179.122 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 65.2 m-20 -61.03 -40.06 92.16 Favored 'General case' 0 C--O 1.218 -0.579 0 CA-C-N 115.058 -0.974 . . . . 0.0 108.711 178.36 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.467 HD23 ' OH ' ' A' ' 43' ' ' TYR . 0.2 OUTLIER -61.61 -49.29 77.19 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.916 -178.728 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 78.9 tt0 -57.0 -45.42 83.01 Favored 'General case' 0 CA--C 1.551 0.997 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -57.65 -45.16 85.84 Favored 'General case' 0 N--CA 1.48 1.043 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.793 179.302 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -71.66 -35.0 70.2 Favored 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 178.554 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 33.7 ttm180 -53.17 -43.17 66.87 Favored 'General case' 0 C--N 1.357 0.932 0 C-N-CA 122.614 0.365 . . . . 0.0 111.04 -178.794 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 . . . . . 0 N--CA 1.481 1.1 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 179.743 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 58.8 m . . . . . 0 N--CA 1.471 0.613 0 CA-C-O 120.419 0.152 . . . . 0.0 110.669 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 78.2 tt0 -68.36 -40.97 81.32 Favored 'General case' 0 N--CA 1.471 0.602 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 179.372 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 62.5 m -61.67 -43.01 99.66 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.999 -179.583 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.42 ' N ' HD12 ' A' ' 10' ' ' LEU . 9.0 mp -62.84 -43.54 98.52 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 116.167 -0.47 . . . . 0.0 109.992 -179.163 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.498 ' O ' ' N ' ' A' ' 13' ' ' GLY . 37.7 ttm180 -71.32 -54.77 9.68 Favored 'General case' 0 C--N 1.349 0.565 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 -178.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 54.59 -76.95 0.01 OUTLIER 'General case' 0 CA--C 1.551 0.986 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.873 -179.496 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.498 ' N ' ' O ' ' A' ' 11' ' ' ARG . . . 78.5 16.61 79.12 Favored Glycine 0 C--N 1.342 0.865 0 N-CA-C 110.644 -0.982 . . . . 0.0 110.644 179.657 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -79.27 -7.7 88.29 Favored Glycine 0 N--CA 1.469 0.866 0 N-CA-C 111.125 -0.79 . . . . 0.0 111.125 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 82.03 -70.42 3.14 Favored Glycine 0 N--CA 1.475 1.282 0 N-CA-C 110.694 -0.962 . . . . 0.0 110.694 -179.666 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 41.6 mtmt -73.58 110.94 8.26 Favored 'General case' 0 N--CA 1.465 0.281 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 179.528 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.8 tp -147.39 129.4 15.43 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 -178.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.426 ' O ' ' N ' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -139.13 151.07 46.36 Favored 'General case' 0 N--CA 1.476 0.855 0 N-CA-C 107.882 -1.155 . . . . 0.0 107.882 -179.834 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 38.4 p90 -31.09 -35.18 0.01 OUTLIER 'General case' 0 N--CA 1.479 1.005 0 O-C-N 124.452 1.095 . . . . 0.0 112.07 -179.089 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -73.98 -45.51 49.59 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 112.41 0.522 . . . . 0.0 112.41 179.331 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.426 ' N ' ' O ' ' A' ' 18' ' ' ASN . 38.4 mt-10 -60.43 -45.05 95.05 Favored 'General case' 0 N--CA 1.481 1.12 0 CA-C-O 121.241 0.543 . . . . 0.0 112.35 -176.358 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.4 HD12 ' N ' ' A' ' 23' ' ' ARG . 1.6 pp -75.31 -47.14 29.17 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.324 -0.853 . . . . 0.0 111.165 178.617 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.4 ' N ' HD12 ' A' ' 22' ' ' LEU . 51.6 ttp180 -59.22 -51.72 68.79 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-O 120.992 0.425 . . . . 0.0 112.001 -176.729 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 54.1 mm-40 -56.71 -35.82 68.95 Favored 'General case' 0 C--N 1.313 -0.989 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.311 -177.236 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -71.69 -48.34 48.06 Favored 'General case' 0 N--CA 1.445 -0.7 0 CA-C-O 121.485 0.66 . . . . 0.0 110.408 175.208 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 23.3 mt -64.15 -33.17 75.18 Favored 'General case' 0 N--CA 1.492 1.639 0 CA-C-N 114.748 -1.114 . . . . 0.0 111.67 -176.269 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.4 ttmm -54.66 -45.93 73.94 Favored 'General case' 0 CA--C 1.551 0.997 0 CA-C-O 121.63 0.729 . . . . 0.0 109.549 178.468 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -61.11 -35.78 91.34 Favored Glycine 0 CA--C 1.535 1.303 0 CA-C-N 115.109 -0.95 . . . . 0.0 111.489 178.705 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -70.0 -1.17 8.97 Favored 'General case' 0 N--CA 1.482 1.174 0 CA-C-O 121.041 0.448 . . . . 0.0 111.071 -179.37 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 72.17 19.58 78.65 Favored Glycine 0 N--CA 1.464 0.524 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.706 177.56 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -66.33 162.84 19.38 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 117.826 0.813 . . . . 0.0 109.407 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 46.1 p -94.58 161.09 14.35 Favored 'General case' 0 CA--C 1.506 -0.723 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.642 -176.425 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 14.8 p-10 -60.56 -40.37 91.4 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.261 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.76 -47.39 85.89 Favored 'General case' 0 C--N 1.352 0.694 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.479 ' O ' HD13 ' A' ' 39' ' ' ILE . 95.5 mt-10 -68.64 -44.58 73.88 Favored 'General case' 0 N--CA 1.471 0.611 0 O-C-N 121.525 -0.734 . . . . 0.0 110.488 -177.449 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 83.3 mt -60.88 -50.64 79.72 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.632 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.818 -177.692 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -61.59 -41.54 97.58 Favored 'General case' 0 C--N 1.354 0.767 0 CA-C-O 121.737 0.78 . . . . 0.0 111.306 -176.131 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.56 -44.97 80.87 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.02 -0.991 . . . . 0.0 110.987 -179.355 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.479 HD13 ' O ' ' A' ' 35' ' ' GLU . 1.2 mp -61.59 -47.96 90.96 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.085 0 C-N-CA 120.561 -0.456 . . . . 0.0 111.841 -173.87 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -67.56 -42.78 82.07 Favored 'General case' 0 CA--C 1.506 -0.73 0 CA-C-O 121.702 0.763 . . . . 0.0 110.51 -178.614 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 14.6 m -58.37 -45.32 88.49 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 113.792 -1.549 . . . . 0.0 111.287 -176.073 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 60.5 tttp -68.2 -49.74 58.79 Favored 'General case' 0 N--CA 1.441 -0.894 0 C-N-CA 120.037 -0.665 . . . . 0.0 110.766 -177.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.42 ' O ' HD13 ' A' ' 51' ' ' LEU . 9.7 m-85 -74.63 -32.42 62.3 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 120.112 -0.635 . . . . 0.0 111.509 -177.018 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -103.89 110.03 22.01 Favored 'General case' 0 N--CA 1.479 1.002 0 N-CA-C 106.749 -1.574 . . . . 0.0 106.749 178.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 15.6 mm-40 -63.83 -50.54 68.48 Favored 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 112.302 0.482 . . . . 0.0 112.302 -176.009 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 63.6 m-20 -106.19 -2.07 22.9 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-N 118.791 0.723 . . . . 0.0 110.918 178.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 50.64 21.75 5.05 Favored Glycine 0 N--CA 1.476 1.344 0 C-N-CA 121.711 -0.28 . . . . 0.0 112.921 -178.212 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -117.62 -8.7 10.89 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 123.475 0.71 . . . . 0.0 111.828 -179.05 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -127.25 165.26 19.98 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 123.156 0.582 . . . . 0.0 110.177 -177.811 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 86.7 mt-10 -75.65 147.82 39.2 Favored 'General case' 0 N--CA 1.448 -0.553 0 C-N-CA 123.99 0.916 . . . . 0.0 108.877 179.483 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.42 HD13 ' O ' ' A' ' 43' ' ' TYR . 42.6 tp -90.64 121.8 32.87 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-O 121.394 0.616 . . . . 0.0 109.937 -177.788 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.3 t -80.3 178.67 8.13 Favored 'General case' 0 CA--C 1.49 -1.337 0 CA-C-N 114.84 -1.073 . . . . 0.0 109.032 -177.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.508 ' O ' ' NE2' ' A' ' 57' ' ' GLN . 14.9 pt-20 -76.72 -49.77 15.22 Favored 'General case' 0 N--CA 1.431 -1.377 0 CA-C-N 113.079 -1.873 . . . . 0.0 110.532 -177.301 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 85.8 t60 -53.93 -50.9 65.41 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 119.884 -0.727 . . . . 0.0 109.866 -174.58 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 91.4 mt-10 -61.38 -46.44 90.16 Favored 'General case' 0 C--O 1.219 -0.533 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 177.576 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 23.9 t-80 -56.76 -50.13 73.19 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 121.014 -0.274 . . . . 0.0 111.251 -179.639 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.508 ' NE2' ' O ' ' A' ' 53' ' ' GLU . 1.2 mp0 -53.12 -41.09 64.7 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 120.7 -0.4 . . . . 0.0 111.223 -179.375 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 83.3 mt-30 -63.57 -53.74 46.96 Favored 'General case' 0 N--CA 1.48 1.028 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 179.644 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 36.4 mmt -60.16 -36.73 78.21 Favored 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 122.822 0.449 . . . . 0.0 110.222 179.559 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 69.2 ttp85 -59.66 -48.83 80.13 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 120.046 -0.662 . . . . 0.0 109.695 -178.41 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 74.7 m-20 -60.58 -36.62 78.98 Favored 'General case' 0 C--N 1.346 0.456 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 59.7 m-20 -67.69 -37.59 82.5 Favored 'General case' 0 C--N 1.342 0.26 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 179.186 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.5 tt -59.99 -50.11 75.02 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.674 -179.074 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 71.4 mt-10 -57.22 -44.1 83.44 Favored 'General case' 0 CA--C 1.55 0.971 0 N-CA-C 110.098 -0.334 . . . . 0.0 110.098 178.796 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -62.35 -46.26 89.46 Favored 'General case' 0 N--CA 1.478 0.972 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.854 179.386 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 69.6 mt-10 -65.69 -37.41 86.37 Favored 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 110.102 -0.333 . . . . 0.0 110.102 179.291 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 32.0 ttm180 -49.5 -26.28 3.29 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-O 120.753 0.311 . . . . 0.0 111.328 -179.419 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 70.0 mm-40 . . . . . 0 N--CA 1.47 0.53 0 N-CA-C 109.457 -0.572 . . . . 0.0 109.457 179.963 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 69.3 m . . . . . 0 N--CA 1.472 0.665 0 N-CA-C 111.541 0.2 . . . . 0.0 111.541 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 76.9 tt0 -71.32 -43.62 66.7 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 110.195 -0.298 . . . . 0.0 110.195 178.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 95.1 p -63.79 -47.44 80.91 Favored 'General case' 0 N--CA 1.48 1.046 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.059 -179.08 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 29.1 mt -61.58 -42.94 99.58 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.799 -179.435 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.486 ' O ' ' N ' ' A' ' 13' ' ' GLY . 70.7 ttt-85 -63.81 -53.86 44.17 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 115.894 -0.593 . . . . 0.0 109.827 -179.768 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.547 HE22 HD21 ' A' ' 17' ' ' LEU . 48.2 tt0 58.42 -71.73 0.02 OUTLIER 'General case' 0 CA--C 1.546 0.807 0 O-C-N 124.386 1.054 . . . . 0.0 110.57 -179.675 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.486 ' N ' ' O ' ' A' ' 11' ' ' ARG . . . 101.37 -7.3 56.24 Favored Glycine 0 N--CA 1.476 1.32 0 N-CA-C 110.765 -0.934 . . . . 0.0 110.765 179.479 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.9 -50.65 57.11 Favored Glycine 0 CA--C 1.53 0.969 0 N-CA-C 110.654 -0.978 . . . . 0.0 110.654 179.15 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 107.8 -71.55 0.21 Allowed Glycine 0 N--CA 1.483 1.81 0 N-CA-C 110.418 -1.073 . . . . 0.0 110.418 -179.435 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.8 mtpm? -65.78 126.78 29.54 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 179.743 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.547 HD21 HE22 ' A' ' 12' ' ' GLN . 7.4 mt -154.1 133.72 12.87 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 -179.176 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.41 ' O ' ' N ' ' A' ' 21' ' ' GLU . 9.6 t30 -123.27 139.88 53.59 Favored 'General case' 0 C--N 1.332 -0.176 0 N-CA-C 107.299 -1.371 . . . . 0.0 107.299 178.426 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 54.4 p90 -31.01 -37.82 0.02 OUTLIER 'General case' 0 C--O 1.205 -1.289 0 C-N-CA 123.942 0.897 . . . . 0.0 112.566 -177.449 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.408 ' H ' ' ND2' ' A' ' 18' ' ' ASN . 29.9 t70 -72.59 -45.2 60.27 Favored 'General case' 0 N--CA 1.479 1.017 0 CA-C-O 121.143 0.497 . . . . 0.0 112.033 179.193 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.41 ' N ' ' O ' ' A' ' 18' ' ' ASN . 63.7 mm-40 -60.09 -47.85 84.16 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 112.702 0.63 . . . . 0.0 112.702 -177.439 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.518 ' HB3' HD22 ' A' ' 17' ' ' LEU . 1.8 pp -75.58 -47.01 28.55 Favored 'General case' 0 C--N 1.313 -0.989 0 CA-C-N 115.686 -0.688 . . . . 0.0 112.153 178.445 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.415 ' N ' HD12 ' A' ' 22' ' ' LEU . 7.2 ttt85 -60.63 -52.49 64.91 Favored 'General case' 0 N--CA 1.485 1.311 0 CA-C-O 121.448 0.642 . . . . 0.0 112.292 -175.6 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 64.8 mm-40 -60.0 -34.17 72.97 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 115.084 -0.962 . . . . 0.0 111.93 -177.481 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 -71.69 -48.0 50.31 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.828 176.109 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 26.3 mt -62.14 -31.39 71.87 Favored 'General case' 0 N--CA 1.494 1.735 0 CA-C-N 115.249 -0.887 . . . . 0.0 111.541 -177.611 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.1 ttmm -54.89 -45.5 74.69 Favored 'General case' 0 CA--C 1.557 1.225 0 CA-C-O 121.101 0.477 . . . . 0.0 109.796 178.732 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -62.06 -34.07 87.79 Favored Glycine 0 CA--C 1.534 1.224 0 CA-C-N 115.505 -0.77 . . . . 0.0 111.911 179.482 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -70.63 2.8 3.66 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 123.025 0.53 . . . . 0.0 111.279 -178.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 71.3 19.89 77.8 Favored Glycine 0 N--CA 1.468 0.79 0 N-CA-C 111.288 -0.725 . . . . 0.0 111.288 177.222 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -67.9 162.51 24.05 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 117.465 0.632 . . . . 0.0 109.828 179.567 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 70.4 p -92.23 158.84 15.92 Favored 'General case' 0 C--O 1.217 -0.645 0 CA-C-N 115.694 -0.684 . . . . 0.0 109.725 -177.013 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 -61.93 -43.35 99.03 Favored 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 110.201 -0.296 . . . . 0.0 110.201 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.18 -46.65 87.84 Favored 'General case' 0 N--CA 1.47 0.572 0 O-C-N 123.429 0.456 . . . . 0.0 110.057 -179.521 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 67.5 mm-40 -67.71 -47.1 70.33 Favored 'General case' 0 N--CA 1.471 0.593 0 O-C-N 121.524 -0.735 . . . . 0.0 110.426 -178.259 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 81.4 mt -58.51 -50.3 79.33 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.82 0 CA-C-N 115.582 -0.735 . . . . 0.0 111.148 -177.469 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -64.2 -40.52 96.24 Favored 'General case' 0 C--N 1.35 0.587 0 CA-C-O 121.948 0.88 . . . . 0.0 111.454 -177.407 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.58 -44.76 81.35 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 115.024 -0.989 . . . . 0.0 110.759 -179.181 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.2 mp -61.43 -46.74 95.97 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.993 0 N-CA-C 112.303 0.483 . . . . 0.0 112.303 -173.308 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -68.27 -40.78 81.79 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.896 0.855 . . . . 0.0 110.825 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 15.8 m -59.11 -44.79 92.0 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 114.464 -1.243 . . . . 0.0 111.158 -175.712 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -67.94 -49.56 61.07 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.012 -179.212 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.428 ' CG ' ' SD ' ' A' ' 59' ' ' MET . 14.7 m-85 -73.87 -31.5 63.19 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 120.377 -0.529 . . . . 0.0 111.275 -177.643 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -106.61 104.56 14.27 Favored 'General case' 0 N--CA 1.48 1.049 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 178.234 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 20.6 mm-40 -60.49 -50.32 74.04 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 116.07 -0.514 . . . . 0.0 112.06 -176.223 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 64.1 m-20 -104.8 -1.53 25.99 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-N 118.369 0.531 . . . . 0.0 111.208 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 54.29 20.98 17.74 Favored Glycine 0 N--CA 1.477 1.411 0 CA-C-O 119.985 -0.342 . . . . 0.0 112.306 -178.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -118.79 -11.5 9.77 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 123.585 0.754 . . . . 0.0 111.853 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.5 pp0? -117.73 152.33 35.49 Favored 'General case' 0 N--CA 1.481 1.119 0 CA-C-O 121.618 0.723 . . . . 0.0 111.324 -177.292 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 70.3 mt-10 -76.65 148.48 36.87 Favored 'General case' 0 C--O 1.235 0.311 0 C-N-CA 124.866 1.266 . . . . 0.0 108.599 178.548 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 84.7 mt -90.33 117.56 29.14 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-O 121.711 0.767 . . . . 0.0 109.683 -176.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.0 t -80.0 -178.17 6.36 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-N 114.65 -1.159 . . . . 0.0 108.824 -176.633 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 71.2 mt-10 -63.97 -58.74 5.82 Favored 'General case' 0 C--N 1.311 -1.069 0 CA-C-N 114.262 -1.335 . . . . 0.0 110.581 -178.065 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -54.12 -50.07 67.74 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 119.975 -0.69 . . . . 0.0 109.882 -174.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 41.3 tp10 -60.28 -48.5 81.46 Favored 'General case' 0 CA--C 1.535 0.377 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 178.658 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -61.93 -50.37 72.43 Favored 'General case' 0 CA--C 1.546 0.819 0 O-C-N 123.552 0.532 . . . . 0.0 111.72 -179.365 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -63.26 -34.44 77.68 Favored 'General case' 0 CA--C 1.547 0.858 0 O-C-N 121.505 -0.747 . . . . 0.0 111.267 -179.069 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 62.7 mt-30 -62.02 -55.18 31.86 Favored 'General case' 0 N--CA 1.484 1.241 0 N-CA-C 110.035 -0.358 . . . . 0.0 110.035 -179.739 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.428 ' SD ' ' CG ' ' A' ' 43' ' ' TYR . 14.1 ptm -62.11 -34.48 76.41 Favored 'General case' 0 C--N 1.343 0.312 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 179.164 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 58.2 ttp180 -59.33 -48.41 81.72 Favored 'General case' 0 C--N 1.365 1.271 0 C-N-CA 119.8 -0.76 . . . . 0.0 109.494 -175.489 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 75.7 m-20 -60.16 -36.05 76.7 Favored 'General case' 0 C--O 1.222 -0.359 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 178.705 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -69.63 -38.11 77.07 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 179.722 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 6.2 tp -62.75 -50.46 70.99 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.142 -178.752 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 74.2 mt-10 -57.68 -45.65 85.33 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-O 121.454 0.645 . . . . 0.0 109.967 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 56.0 mtpt -56.58 -38.4 71.95 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.201 179.668 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.63 -43.83 85.13 Favored 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 109.465 -0.569 . . . . 0.0 109.465 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 80.8 mtm180 -57.26 -54.58 45.16 Favored 'General case' 0 N--CA 1.479 0.976 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.791 -176.423 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 . . . . . 0 N--CA 1.48 1.065 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.294 179.937 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 59.1 m . . . . . 0 N--CA 1.471 0.62 0 CA-C-O 120.903 0.383 . . . . 0.0 110.479 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -68.52 -35.12 77.04 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.3 179.524 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 47.4 m -60.33 -48.44 81.72 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-O 120.623 0.249 . . . . 0.0 110.661 -179.48 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 33.3 mt -62.54 -43.38 98.95 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.974 179.487 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.434 ' O ' ' N ' ' A' ' 13' ' ' GLY . 57.9 ttm-85 -63.71 -52.87 58.63 Favored 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 -179.729 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 59.5 tp60 61.89 -70.76 0.05 OUTLIER 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 115.106 -0.952 . . . . 0.0 110.195 -179.704 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 11' ' ' ARG . . . 69.81 -1.56 15.67 Favored Glycine 0 N--CA 1.469 0.877 0 N-CA-C 110.712 -0.955 . . . . 0.0 110.712 179.563 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.67 -34.4 89.8 Favored Glycine 0 C--N 1.339 0.717 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 179.671 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 99.56 -73.79 0.49 Allowed Glycine 0 N--CA 1.472 1.07 0 N-CA-C 110.288 -1.125 . . . . 0.0 110.288 -179.542 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 45.5 mmtm -80.85 125.47 30.14 Favored 'General case' 0 N--CA 1.477 0.894 0 CA-C-O 121.093 0.473 . . . . 0.0 110.539 179.764 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.5 pp -161.33 150.1 16.05 Favored 'General case' 0 N--CA 1.437 -1.125 0 CA-C-N 115.24 -0.891 . . . . 0.0 109.384 179.433 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.447 ' ND2' ' N ' ' A' ' 18' ' ' ASN . 0.1 OUTLIER -133.06 144.58 50.11 Favored 'General case' 0 C--N 1.318 -0.763 0 C-N-CA 124.011 0.924 . . . . 0.0 108.984 179.23 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 43.0 p90 -31.28 -33.23 0.01 OUTLIER 'General case' 0 C--O 1.202 -1.446 0 C-N-CA 124.243 1.017 . . . . 0.0 112.649 -178.744 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -73.52 -44.88 56.61 Favored 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 111.869 0.322 . . . . 0.0 111.869 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.419 ' N ' ' O ' ' A' ' 18' ' ' ASN . 0.0 OUTLIER -60.44 -45.64 92.92 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-O 121.3 0.571 . . . . 0.0 111.52 -175.477 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.411 HD12 ' N ' ' A' ' 23' ' ' ARG . 2.2 pp -76.72 -47.04 23.1 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.069 -0.969 . . . . 0.0 111.427 -179.559 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.411 ' N ' HD12 ' A' ' 22' ' ' LEU . 4.9 ttt180 -59.88 -50.01 75.47 Favored 'General case' 0 N--CA 1.477 0.91 0 CA-C-N 116.4 -0.363 . . . . 0.0 111.328 -176.11 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -56.16 -35.0 66.69 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.71 -178.704 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -72.18 -48.69 41.37 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 123.554 0.742 . . . . 0.0 112.906 177.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 47.7 mt -61.35 -31.24 71.12 Favored 'General case' 0 N--CA 1.483 1.206 0 CA-C-N 115.137 -0.938 . . . . 0.0 111.035 -176.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 31.6 ttmt -55.39 -45.0 76.64 Favored 'General case' 0 CA--C 1.548 0.89 0 CA-C-O 121.408 0.623 . . . . 0.0 109.509 178.532 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -62.03 -35.49 91.52 Favored Glycine 0 CA--C 1.53 0.972 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.353 179.616 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt -70.39 1.46 4.97 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 121.022 0.439 . . . . 0.0 110.991 -179.107 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 71.82 19.87 78.38 Favored Glycine 0 N--CA 1.465 0.585 0 CA-C-N 115.516 -0.766 . . . . 0.0 111.916 177.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -67.59 162.36 23.65 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 118.094 0.947 . . . . 0.0 109.94 179.169 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 63.0 p -92.82 160.84 14.76 Favored 'General case' 0 CA--C 1.506 -0.726 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.631 -177.045 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 15.6 p-10 -60.52 -41.26 94.04 Favored 'General case' 0 N--CA 1.463 0.205 0 N-CA-C 110.162 -0.31 . . . . 0.0 110.162 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.72 -47.16 86.75 Favored 'General case' 0 CA--C 1.539 0.521 0 O-C-N 123.497 0.498 . . . . 0.0 109.968 -179.774 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.466 ' O ' HD13 ' A' ' 39' ' ' ILE . 75.8 mt-10 -67.61 -47.9 68.36 Favored 'General case' 0 N--CA 1.472 0.636 0 O-C-N 121.568 -0.707 . . . . 0.0 110.349 -178.329 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 79.5 mt -57.82 -50.62 77.08 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.841 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.9 -176.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -64.77 -42.11 95.36 Favored 'General case' 0 C--N 1.351 0.656 0 CA-C-O 121.78 0.8 . . . . 0.0 111.762 -177.023 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.93 -44.6 88.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.421 -0.809 . . . . 0.0 111.242 -179.052 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.466 HD13 ' O ' ' A' ' 35' ' ' GLU . 1.2 mp -61.5 -47.33 93.92 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.694 0 C-N-CA 120.257 -0.577 . . . . 0.0 112.315 -173.426 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -67.51 -41.77 83.92 Favored 'General case' 0 CA--C 1.507 -0.691 0 CA-C-O 122.221 1.01 . . . . 0.0 110.707 -179.405 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 24.0 m -59.73 -43.97 93.98 Favored 'General case' 0 N--CA 1.442 -0.84 0 CA-C-N 113.391 -1.731 . . . . 0.0 111.124 -177.26 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 61.0 tttp -65.73 -50.11 66.0 Favored 'General case' 0 N--CA 1.442 -0.86 0 C-N-CA 119.587 -0.845 . . . . 0.0 110.402 -178.06 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.475 ' OH ' HD13 ' A' ' 63' ' ' LEU . 29.8 m-85 -73.82 -32.72 63.85 Favored 'General case' 0 C--N 1.356 0.863 0 C-N-CA 118.994 -1.082 . . . . 0.0 110.583 -177.506 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -100.77 103.86 15.1 Favored 'General case' 0 N--CA 1.487 1.421 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 178.788 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 19.2 mm-40 -60.97 -50.75 72.12 Favored 'General case' 0 C--O 1.239 0.542 0 N-CA-C 112.665 0.617 . . . . 0.0 112.665 -175.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 65.6 m-20 -105.82 -2.34 23.23 Favored 'General case' 0 N--CA 1.485 1.304 0 CA-C-N 119.028 0.831 . . . . 0.0 111.401 179.246 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 45.85 31.64 4.14 Favored Glycine 0 N--CA 1.482 1.738 0 C-N-CA 121.88 -0.2 . . . . 0.0 113.261 -179.679 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -115.42 -15.08 11.56 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 123.24 0.616 . . . . 0.0 111.568 -178.084 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.0 pm0 -132.07 173.94 10.7 Favored 'General case' 0 N--CA 1.484 1.263 0 CA-C-O 121.37 0.605 . . . . 0.0 110.819 -178.368 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 67.4 mt-10 -75.47 147.58 39.74 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 179.784 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 19.6 tp -90.55 121.9 32.89 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 -177.162 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 6.6 t -80.01 179.91 7.35 Favored 'General case' 0 CA--C 1.499 -0.998 0 CA-C-N 115.228 -0.896 . . . . 0.0 109.987 -177.007 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 72.5 mt-10 -75.25 -50.97 14.43 Favored 'General case' 0 N--CA 1.44 -0.96 0 CA-C-N 113.497 -1.683 . . . . 0.0 110.646 -178.138 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 84.3 t60 -54.61 -50.63 67.6 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 119.858 -0.737 . . . . 0.0 109.76 -174.323 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 90.0 mt-10 -60.94 -50.71 72.31 Favored 'General case' 0 C--O 1.219 -0.53 0 CA-C-N 118.327 0.512 . . . . 0.0 109.742 178.099 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 73.9 t60 -59.96 -53.76 54.1 Favored 'General case' 0 CA--C 1.547 0.839 0 N-CA-C 112.422 0.527 . . . . 0.0 112.422 -178.633 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -56.78 -39.99 75.08 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 118.442 0.565 . . . . 0.0 111.877 -178.732 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 81.8 mt-30 -63.25 -54.17 41.54 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 179.675 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 34.3 mmt -63.95 -34.71 78.6 Favored 'General case' 0 C--N 1.346 0.423 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 179.626 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 59.2 ttp180 -59.1 -48.2 82.47 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 119.572 -0.851 . . . . 0.0 109.667 -178.526 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -60.51 -36.32 78.07 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-O 121.512 0.672 . . . . 0.0 109.904 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 48.6 m-20 -68.43 -39.81 81.4 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 114.853 -1.067 . . . . 0.0 109.086 178.613 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.475 HD13 ' OH ' ' A' ' 43' ' ' TYR . 40.7 tp -59.73 -48.53 81.31 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.423 -179.284 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -56.93 -44.26 82.28 Favored 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 31.1 tptt -59.83 -42.85 94.45 Favored 'General case' 0 CA--C 1.546 0.793 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.597 179.142 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -65.72 -44.49 85.88 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-N 116.117 -0.492 . . . . 0.0 109.869 179.593 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -53.49 -44.39 68.99 Favored 'General case' 0 N--CA 1.48 1.068 0 N-CA-C 110.623 -0.14 . . . . 0.0 110.623 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 79.1 tt0 . . . . . 0 N--CA 1.476 0.831 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 179.702 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 96.9 p . . . . . 0 N--CA 1.468 0.44 0 CA-C-O 120.177 0.037 . . . . 0.0 110.934 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -70.33 -37.37 74.67 Favored 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 110.059 -0.348 . . . . 0.0 110.059 179.361 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 79.5 p -60.22 -48.11 83.11 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 116.614 -0.266 . . . . 0.0 110.845 -179.275 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.596 HD12 ' CD2' ' A' ' 43' ' ' TYR . 4.2 mm? -64.01 -44.26 93.15 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 121.104 -0.239 . . . . 0.0 111.178 179.779 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 91.1 mtm180 -71.39 -53.43 14.13 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-O 120.779 0.323 . . . . 0.0 111.042 -178.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 9.7 tp-100 -79.52 143.14 35.13 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.51 -178.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 69.53 18.18 73.45 Favored Glycine 0 C--N 1.339 0.705 0 N-CA-C 110.593 -1.003 . . . . 0.0 110.593 179.487 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.555 ' O ' ' N ' ' A' ' 16' ' ' LYS . . . -62.63 -115.32 0.01 OUTLIER Glycine 0 CA--C 1.533 1.185 0 N-CA-C 110.521 -1.032 . . . . 0.0 110.521 -179.772 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 51.53 -75.25 0.01 OUTLIER Glycine 0 N--CA 1.479 1.552 0 CA-C-N 117.612 0.706 . . . . 0.0 111.699 -179.484 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.555 ' N ' ' O ' ' A' ' 14' ' ' GLY . 55.7 tttp -120.85 130.09 53.8 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 108.376 -0.972 . . . . 0.0 108.376 176.829 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.437 HD22 ' HB3' ' A' ' 22' ' ' LEU . 9.5 mt -148.1 130.47 15.68 Favored 'General case' 0 N--CA 1.477 0.89 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 179.043 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.487 ' ND2' ' H ' ' A' ' 20' ' ' ASP . 6.4 t30 -128.79 141.61 51.25 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 107.473 -1.306 . . . . 0.0 107.473 178.046 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 55.3 p90 -30.66 -35.64 0.01 OUTLIER 'General case' 0 C--O 1.207 -1.17 0 O-C-N 124.013 0.821 . . . . 0.0 112.321 -177.092 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.487 ' H ' ' ND2' ' A' ' 18' ' ' ASN . 18.1 t70 -72.9 -45.47 58.01 Favored 'General case' 0 N--CA 1.476 0.855 0 N-CA-C 112.466 0.543 . . . . 0.0 112.466 179.205 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.418 ' N ' ' O ' ' A' ' 18' ' ' ASN . 69.1 mm-40 -59.78 -47.31 86.2 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 112.714 0.635 . . . . 0.0 112.714 -177.741 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.454 HD12 ' N ' ' A' ' 23' ' ' ARG . 2.2 pp -75.71 -46.82 28.97 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 115.529 -0.759 . . . . 0.0 112.659 179.092 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.454 ' N ' HD12 ' A' ' 22' ' ' LEU . 11.3 ttm180 -61.64 -49.99 74.35 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-O 121.335 0.588 . . . . 0.0 111.468 -175.701 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 56.7 mm-40 -61.75 -34.36 75.71 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.595 -178.473 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -71.25 -48.82 48.72 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.698 0.761 . . . . 0.0 110.094 176.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 23.0 mt -63.14 -31.62 72.8 Favored 'General case' 0 N--CA 1.49 1.525 0 CA-C-N 114.521 -1.218 . . . . 0.0 111.463 -177.385 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 34.9 ttpt -55.27 -44.81 75.97 Favored 'General case' 0 CA--C 1.556 1.21 0 CA-C-O 121.214 0.53 . . . . 0.0 110.033 178.767 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -63.48 -33.51 87.44 Favored Glycine 0 CA--C 1.531 1.085 0 CA-C-N 115.916 -0.584 . . . . 0.0 112.055 179.464 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -70.56 6.49 1.4 Allowed 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 122.638 0.375 . . . . 0.0 111.409 -178.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 70.13 19.83 75.97 Favored Glycine 0 N--CA 1.464 0.552 0 N-CA-C 111.518 -0.633 . . . . 0.0 111.518 177.088 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -69.98 162.78 27.44 Favored 'General case' 0 C--N 1.345 0.38 0 CA-C-N 117.752 0.776 . . . . 0.0 109.93 179.523 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 68.3 p -96.3 160.36 14.47 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.067 -177.365 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 15.5 p-10 -61.08 -40.53 94.05 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.408 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.29 -46.6 89.28 Favored 'General case' 0 C--N 1.35 0.609 0 C-N-CA 120.429 -0.508 . . . . 0.0 109.797 -179.69 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.407 ' O ' HD13 ' A' ' 39' ' ' ILE . 71.0 mm-40 -69.14 -48.11 63.27 Favored 'General case' 0 N--CA 1.474 0.732 0 O-C-N 121.574 -0.703 . . . . 0.0 110.39 -178.176 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 81.6 mt -57.72 -50.2 78.27 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.798 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.244 -177.577 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -64.58 -36.96 85.93 Favored 'General case' 0 C--N 1.346 0.449 0 CA-C-O 121.099 0.476 . . . . 0.0 111.047 -178.254 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.94 -45.42 77.87 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.764 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.407 HD13 ' O ' ' A' ' 35' ' ' GLU . 1.4 mp -61.62 -47.04 95.18 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.888 0 C-N-CA 119.927 -0.709 . . . . 0.0 112.063 -175.189 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -67.74 -40.68 84.11 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.175 0.512 . . . . 0.0 109.818 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 14.0 m -59.03 -46.37 88.38 Favored 'General case' 0 C--N 1.345 0.392 0 CA-C-N 115.628 -0.715 . . . . 0.0 111.204 -176.03 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 54.8 mtmt -71.59 -48.61 47.11 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.16 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.596 ' CD2' HD12 ' A' ' 10' ' ' LEU . 15.7 m-85 -71.71 -29.49 64.61 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-O 119.696 -0.193 . . . . 0.0 110.482 -177.811 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.479 ' N ' ' OD1' ' A' ' 44' ' ' ASP . 0.0 OUTLIER -115.69 106.91 14.42 Favored 'General case' 0 N--CA 1.479 0.979 0 N-CA-C 107.988 -1.115 . . . . 0.0 107.988 -178.961 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 22.5 mm-40 -62.06 -50.82 70.46 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 119.2 -0.428 . . . . 0.0 111.992 -176.715 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 66.5 m-20 -106.34 -2.22 22.48 Favored 'General case' 0 N--CA 1.479 0.991 0 CA-C-N 118.48 0.582 . . . . 0.0 111.495 178.57 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 47.66 29.24 5.69 Favored Glycine 0 N--CA 1.478 1.495 0 C-N-CA 121.735 -0.269 . . . . 0.0 112.766 -179.061 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -117.54 -14.58 10.27 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.161 0.584 . . . . 0.0 111.737 -179.037 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.1 pm0 -128.66 177.23 7.18 Favored 'General case' 0 N--CA 1.487 1.412 0 CA-C-O 121.563 0.697 . . . . 0.0 111.588 -177.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -75.5 148.31 39.09 Favored 'General case' 0 CA--C 1.528 0.107 0 CA-C-N 114.929 -1.032 . . . . 0.0 109.552 179.249 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 6.1 mt -90.35 120.89 31.85 Favored 'General case' 0 N--CA 1.477 0.898 0 CA-C-O 121.233 0.54 . . . . 0.0 109.707 -176.509 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.3 t -80.57 179.23 7.85 Favored 'General case' 0 CA--C 1.502 -0.902 0 CA-C-N 115.104 -0.953 . . . . 0.0 109.489 -177.392 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -72.64 -53.75 10.96 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-N 113.618 -1.628 . . . . 0.0 111.071 -178.721 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 31.0 t-80 -54.74 -50.4 68.5 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 119.847 -0.741 . . . . 0.0 110.5 -174.409 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -61.59 -50.33 73.01 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 118.301 0.5 . . . . 0.0 110.252 178.496 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 54.5 t-80 -60.62 -51.15 70.62 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 112.37 0.507 . . . . 0.0 112.37 -178.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.418 ' NE2' ' N ' ' A' ' 57' ' ' GLN . 0.5 OUTLIER -60.22 -34.2 73.33 Favored 'General case' 0 N--CA 1.475 0.818 0 O-C-N 122.065 -0.397 . . . . 0.0 111.108 -179.458 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 48.4 tt0 -65.4 -54.25 31.47 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 -179.54 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 34.3 mmt -62.84 -34.22 76.88 Favored 'General case' 0 C--N 1.35 0.614 0 N-CA-C 110.139 -0.319 . . . . 0.0 110.139 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 73.4 ttt180 -58.94 -49.04 79.35 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 119.646 -0.821 . . . . 0.0 109.902 -178.545 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 -60.58 -38.09 83.49 Favored 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 109.879 -0.415 . . . . 0.0 109.879 179.588 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 56.4 m-20 -67.02 -40.65 87.29 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.619 178.704 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 6.6 tp -60.07 -49.4 77.8 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.051 -179.146 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -57.99 -44.21 87.01 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 120.848 -0.341 . . . . 0.0 110.155 179.23 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 66.8 mmtt -63.44 -45.55 90.39 Favored 'General case' 0 N--CA 1.476 0.872 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.68 179.448 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -67.16 -44.04 80.77 Favored 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 109.951 -0.388 . . . . 0.0 109.951 179.515 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 37.6 mmm-85 -55.43 -40.14 71.14 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.836 179.705 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 79.7 tt0 . . . . . 0 N--CA 1.474 0.744 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 179.346 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 51.6 m . . . . . 0 N--CA 1.47 0.538 0 CA-C-O 120.776 0.322 . . . . 0.0 110.227 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 78.3 mt-10 -66.49 -35.31 79.94 Favored 'General case' 0 CA--C 1.543 0.707 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.388 179.694 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 35.4 t -63.97 -40.6 96.78 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-O 120.861 0.363 . . . . 0.0 111.469 179.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 9.4 mp -59.06 -30.05 67.76 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.831 -179.039 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 81.1 mtp180 -59.29 -37.39 77.56 Favored 'General case' 0 N--CA 1.48 1.04 0 CA-C-O 121.082 0.468 . . . . 0.0 110.003 -179.176 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 97.1 mm-40 -67.72 151.95 46.4 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 108.269 -1.011 . . . . 0.0 108.269 178.528 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.405 ' C ' ' H ' ' A' ' 15' ' ' GLY . . . 144.65 18.54 0.19 Allowed Glycine 0 N--CA 1.482 1.76 0 N-CA-C 109.682 -1.367 . . . . 0.0 109.682 -177.216 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -69.62 43.13 0.45 Allowed Glycine 0 CA--C 1.533 1.173 0 N-CA-C 111.479 -0.648 . . . . 0.0 111.479 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.405 ' H ' ' C ' ' A' ' 13' ' ' GLY . . . 70.21 -72.49 0.58 Allowed Glycine 0 N--CA 1.466 0.643 0 N-CA-C 111.541 -0.624 . . . . 0.0 111.541 179.491 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 70.5 mmtt -92.43 117.51 30.0 Favored 'General case' 0 N--CA 1.479 1.017 0 CA-C-O 120.872 0.368 . . . . 0.0 111.116 -179.187 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.0 pp -160.36 150.54 18.17 Favored 'General case' 0 N--CA 1.447 -0.589 0 N-CA-C 108.385 -0.968 . . . . 0.0 108.385 177.203 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.509 ' O ' ' N ' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -138.71 147.37 42.64 Favored 'General case' 0 N--CA 1.477 0.924 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 179.61 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 42.3 p90 -33.0 -29.17 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 124.656 1.182 . . . . 0.0 113.195 -179.042 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.406 ' N ' ' O ' ' A' ' 18' ' ' ASN . 61.0 m-20 -68.88 -45.15 71.72 Favored 'General case' 0 C--O 1.213 -0.861 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 178.111 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.509 ' N ' ' O ' ' A' ' 18' ' ' ASN . 74.1 mm-40 -59.56 -40.69 88.14 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 115.941 -0.572 . . . . 0.0 109.849 179.821 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 84.7 mt -73.78 -48.24 33.01 Favored 'General case' 0 N--CA 1.478 0.955 0 CA-C-O 121.243 0.544 . . . . 0.0 110.551 178.747 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 50.0 ttp85 -61.63 -52.51 64.08 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-N 115.418 -0.81 . . . . 0.0 112.385 -178.536 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 37.2 mm-40 -61.66 -38.89 89.41 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-N 115.73 -0.668 . . . . 0.0 112.145 -175.505 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 89.7 m-20 -72.45 -49.52 32.82 Favored 'General case' 0 N--CA 1.445 -0.72 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 174.538 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 56.3 mt -63.95 -33.42 75.69 Favored 'General case' 0 N--CA 1.501 2.114 0 CA-C-N 115.405 -0.816 . . . . 0.0 112.573 -177.214 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.7 ttpp -55.07 -43.9 74.32 Favored 'General case' 0 CA--C 1.562 1.415 0 CA-C-O 121.188 0.518 . . . . 0.0 110.137 177.409 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -62.72 -30.2 76.17 Favored Glycine 0 CA--C 1.538 1.471 0 CA-C-N 116.16 -0.473 . . . . 0.0 113.221 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -73.52 6.85 2.72 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 122.575 0.35 . . . . 0.0 111.413 -178.46 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 71.02 15.83 74.48 Favored Glycine 0 N--CA 1.468 0.809 0 CA-C-N 116.004 -0.544 . . . . 0.0 112.01 177.142 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -67.47 161.99 24.18 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 117.387 0.593 . . . . 0.0 109.526 179.384 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 60.8 p -93.37 163.15 13.71 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 115.547 -0.752 . . . . 0.0 109.851 -177.228 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -59.96 -41.73 92.54 Favored 'General case' 0 C--O 1.232 0.152 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.73 -47.24 86.44 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 120.715 -0.394 . . . . 0.0 109.983 179.685 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -69.26 -45.76 68.92 Favored 'General case' 0 N--CA 1.479 1.012 0 O-C-N 121.345 -0.847 . . . . 0.0 110.582 -177.536 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 85.6 mt -58.83 -50.66 78.62 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.902 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.463 -177.743 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -62.79 -44.41 96.24 Favored 'General case' 0 C--N 1.352 0.682 0 CA-C-O 121.203 0.525 . . . . 0.0 112.239 -177.405 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.7 -44.73 95.48 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 115.018 -0.992 . . . . 0.0 112.296 -179.164 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.3 mp -65.86 -47.34 85.9 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.883 0 C-N-CA 119.676 -0.81 . . . . 0.0 112.02 -174.063 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.445 ' CG ' ' N ' ' A' ' 41' ' ' THR . 0.2 OUTLIER -66.4 -46.09 77.77 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 121.218 0.532 . . . . 0.0 111.373 -178.068 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.445 ' N ' ' CG ' ' A' ' 40' ' ' PHE . 6.0 t -64.44 -35.62 81.5 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-N 114.707 -1.133 . . . . 0.0 112.009 -174.422 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -66.02 -49.91 66.09 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 120.203 -0.599 . . . . 0.0 109.636 -179.407 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 45.0 m-85 -74.51 -33.04 62.71 Favored 'General case' 0 C--N 1.364 1.218 0 C-N-CA 118.685 -1.206 . . . . 0.0 110.101 -178.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 -97.96 100.75 12.11 Favored 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 178.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 20.4 mm-40 -59.29 -50.81 72.57 Favored 'General case' 0 CA--C 1.545 0.785 0 N-CA-C 112.862 0.69 . . . . 0.0 112.862 -175.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 66.2 m-20 -106.05 -2.59 22.56 Favored 'General case' 0 N--CA 1.49 1.549 0 CA-C-N 119.382 0.992 . . . . 0.0 111.995 178.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 43.35 31.71 1.58 Allowed Glycine 0 N--CA 1.492 2.415 0 CA-C-O 120.791 0.106 . . . . 0.0 113.196 -179.319 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -114.38 -21.38 10.41 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 123.766 0.826 . . . . 0.0 111.844 -178.414 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.453 ' H ' ' NE2' ' A' ' 49' ' ' GLN . 2.7 pm0 -127.16 176.59 7.26 Favored 'General case' 0 N--CA 1.493 1.713 0 C-N-CA 123.122 0.569 . . . . 0.0 110.869 -178.553 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 20.4 mp0 -75.91 146.88 39.39 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 18.9 tp -91.71 121.72 33.61 Favored 'General case' 0 N--CA 1.48 1.07 0 CA-C-O 120.976 0.417 . . . . 0.0 110.357 -177.114 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.2 t -80.13 177.01 9.24 Favored 'General case' 0 CA--C 1.505 -0.787 0 CA-C-O 122.308 1.051 . . . . 0.0 110.552 -177.346 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.435 ' H ' ' CD ' ' A' ' 53' ' ' GLU . 3.3 pm0 -73.85 -48.7 29.25 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 113.087 -1.869 . . . . 0.0 110.208 -178.596 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 56.6 t-80 -54.76 -50.71 67.78 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 119.892 -0.723 . . . . 0.0 110.24 -174.302 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 74.9 mt-10 -63.95 -50.36 68.92 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 118.415 0.552 . . . . 0.0 109.896 178.631 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 42.6 t-80 -58.23 -53.65 55.88 Favored 'General case' 0 CA--C 1.549 0.924 0 N-CA-C 112.192 0.441 . . . . 0.0 112.192 -179.319 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.434 HE21 ' H ' ' A' ' 57' ' ' GLN . 0.7 OUTLIER -61.31 -40.13 93.05 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-N 118.529 0.604 . . . . 0.0 111.279 -179.119 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 57.2 tt0 -63.91 -55.0 25.88 Favored 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 -179.63 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 86.3 mmm -60.84 -43.97 97.61 Favored 'General case' 0 C--N 1.346 0.445 0 CA-C-O 121.014 0.435 . . . . 0.0 111.085 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 72.2 ttt180 -59.33 -49.52 77.49 Favored 'General case' 0 CA--C 1.552 1.05 0 C-N-CA 119.704 -0.798 . . . . 0.0 109.062 -179.471 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -60.23 -37.84 81.58 Favored 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 -179.504 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 76.2 m-20 -65.48 -40.37 93.05 Favored 'General case' 0 C--N 1.342 0.258 0 N-CA-C 108.174 -1.047 . . . . 0.0 108.174 178.161 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.2 tp -58.51 -46.93 85.71 Favored 'General case' 0 C--N 1.35 0.622 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.382 -178.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -61.06 -44.43 97.39 Favored 'General case' 0 CA--C 1.559 1.315 0 C-N-CA 120.65 -0.42 . . . . 0.0 110.543 178.618 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -60.12 -48.28 82.38 Favored 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 113.276 0.843 . . . . 0.0 113.276 -178.574 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -70.84 -36.86 73.06 Favored 'General case' 0 N--CA 1.485 1.299 0 N-CA-C 110.164 -0.31 . . . . 0.0 110.164 -179.618 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 41.5 mtp85 -54.03 -49.63 68.49 Favored 'General case' 0 N--CA 1.484 1.241 0 CA-C-N 116.615 -0.266 . . . . 0.0 110.559 -179.647 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 73.4 mt-10 . . . . . 0 N--CA 1.483 1.204 0 CA-C-O 121.003 0.43 . . . . 0.0 109.933 179.732 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 83.1 p . . . . . 0 N--CA 1.467 0.422 0 CA-C-O 120.269 0.08 . . . . 0.0 111.145 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 79.2 tt0 -68.83 -38.97 80.2 Favored 'General case' 0 N--CA 1.472 0.65 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 178.746 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 89.4 p -61.57 -49.04 78.25 Favored 'General case' 0 N--CA 1.48 1.046 0 CA-C-O 120.926 0.393 . . . . 0.0 110.473 -179.827 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 59.8 mt -58.93 -43.7 91.23 Favored 'General case' 0 CA--C 1.545 0.775 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.027 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.47 ' O ' ' N ' ' A' ' 13' ' ' GLY . 40.3 ttm180 -64.51 -54.3 34.53 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 110.249 -0.278 . . . . 0.0 110.249 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 61.8 tp60 54.49 -75.87 0.01 OUTLIER 'General case' 0 CA--C 1.549 0.911 0 O-C-N 124.158 0.911 . . . . 0.0 111.026 -179.008 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 11' ' ' ARG . . . 74.42 16.23 80.03 Favored Glycine 0 N--CA 1.468 0.781 0 N-CA-C 110.832 -0.907 . . . . 0.0 110.832 179.166 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -78.25 -15.87 80.4 Favored Glycine 0 N--CA 1.466 0.658 0 N-CA-C 110.824 -0.91 . . . . 0.0 110.824 179.691 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 95.02 -28.16 12.53 Favored Glycine 0 N--CA 1.477 1.389 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp -119.37 122.79 42.6 Favored 'General case' 0 N--CA 1.482 1.153 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 179.32 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.48 ' CD2' HD21 ' A' ' 22' ' ' LEU . 1.1 mt -132.78 109.92 10.0 Favored 'General case' 0 C--N 1.352 0.71 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 -178.823 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.459 ' O ' ' N ' ' A' ' 21' ' ' GLU . 2.2 p-10 -125.1 132.33 53.15 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 107.457 -1.312 . . . . 0.0 107.457 178.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 29.8 p90 -31.52 -29.93 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.693 1.197 . . . . 0.0 113.741 -179.175 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.435 ' N ' ' O ' ' A' ' 18' ' ' ASN . 66.8 m-20 -71.49 -45.48 62.38 Favored 'General case' 0 C--O 1.218 -0.562 0 CA-C-N 115.58 -0.736 . . . . 0.0 109.355 -179.702 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 18' ' ' ASN . 0.0 OUTLIER -58.38 -36.83 74.11 Favored 'General case' 0 CA--C 1.549 0.924 0 N-CA-C 107.806 -1.183 . . . . 0.0 107.806 -178.556 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.48 HD21 ' CD2' ' A' ' 17' ' ' LEU . 96.2 mt -73.69 -48.42 32.31 Favored 'General case' 0 CA--C 1.495 -1.155 0 CA-C-O 121.533 0.682 . . . . 0.0 110.81 178.666 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 11.7 ttm180 -61.16 -51.69 67.97 Favored 'General case' 0 C--N 1.312 -1.033 0 CA-C-N 115.188 -0.915 . . . . 0.0 111.275 -177.646 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 82.5 mt-30 -62.04 -37.12 83.72 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 112.696 0.628 . . . . 0.0 112.696 -177.444 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -72.06 -48.82 41.45 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.034 0.445 . . . . 0.0 110.379 176.462 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 24.1 mt -61.33 -32.05 71.92 Favored 'General case' 0 N--CA 1.493 1.69 0 CA-C-N 115.309 -0.86 . . . . 0.0 112.139 -176.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 32.1 ttmt -54.97 -44.41 74.38 Favored 'General case' 0 CA--C 1.555 1.149 0 CA-C-O 121.201 0.524 . . . . 0.0 110.451 178.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -62.96 -33.48 87.3 Favored Glycine 0 CA--C 1.532 1.116 0 CA-C-N 115.56 -0.745 . . . . 0.0 112.285 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt -70.6 4.37 2.47 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 122.836 0.455 . . . . 0.0 111.489 -178.522 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 70.43 19.62 76.31 Favored Glycine 0 N--CA 1.47 0.944 0 N-CA-C 111.722 -0.551 . . . . 0.0 111.722 177.181 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -71.41 162.34 29.59 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 117.33 0.565 . . . . 0.0 109.481 179.543 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 72.9 p -90.7 162.76 14.77 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.052 -177.712 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -59.56 -44.11 93.38 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.675 -0.239 . . . . 0.0 110.366 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.04 -47.42 85.28 Favored 'General case' 0 N--CA 1.47 0.572 0 O-C-N 123.385 0.428 . . . . 0.0 110.353 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 71.4 mm-40 -69.56 -41.64 75.61 Favored 'General case' 0 N--CA 1.476 0.863 0 O-C-N 121.487 -0.758 . . . . 0.0 111.059 -177.689 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 64.3 mt -59.52 -50.58 79.39 Favored 'Isoleucine or valine' 0 C--O 1.245 0.819 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.012 -179.029 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -63.61 -42.24 98.24 Favored 'General case' 0 C--N 1.345 0.412 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.58 -177.197 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.55 -45.88 90.92 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 116.011 -0.54 . . . . 0.0 112.109 -178.468 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.3 mp -60.84 -46.85 95.51 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.856 0 C-N-CA 119.922 -0.711 . . . . 0.0 111.149 -173.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -66.99 -39.84 87.24 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.572 0.701 . . . . 0.0 110.271 -178.505 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 36.8 m -61.5 -46.27 90.69 Favored 'General case' 0 C--O 1.239 0.524 0 CA-C-N 114.249 -1.341 . . . . 0.0 111.578 -175.294 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -66.73 -49.2 66.75 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 -179.718 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 16.7 m-85 -71.49 -32.41 68.21 Favored 'General case' 0 C--O 1.217 -0.619 0 C-N-CA 119.97 -0.692 . . . . 0.0 110.427 -177.583 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -113.83 105.57 13.42 Favored 'General case' 0 N--CA 1.489 1.498 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 179.467 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 27.8 mm-40 -59.2 -51.44 69.96 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-O 119.187 -0.435 . . . . 0.0 112.125 -175.691 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 27.9 t0 -106.27 -3.01 21.72 Favored 'General case' 0 N--CA 1.483 1.212 0 CA-C-N 118.821 0.737 . . . . 0.0 111.823 178.319 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 42.65 40.8 4.02 Favored Glycine 0 N--CA 1.488 2.14 0 CA-C-N 117.816 0.28 . . . . 0.0 112.533 -179.003 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -118.0 -20.69 8.63 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 123.569 0.748 . . . . 0.0 111.836 -178.017 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.442 ' H ' ' NE2' ' A' ' 49' ' ' GLN . 2.6 pm0 -129.56 -178.61 4.75 Favored 'General case' 0 N--CA 1.489 1.502 0 CA-C-O 121.371 0.605 . . . . 0.0 110.989 -177.83 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -76.26 146.85 38.68 Favored 'General case' 0 C--N 1.341 0.2 0 CA-C-N 115.483 -0.78 . . . . 0.0 109.404 179.395 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 31.1 tp -91.29 122.72 34.15 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-O 121.352 0.596 . . . . 0.0 110.68 -177.592 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 6.3 t -80.35 -179.83 7.32 Favored 'General case' 0 CA--C 1.504 -0.796 0 CA-C-N 115.122 -0.944 . . . . 0.0 110.568 -178.23 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -73.54 -49.42 26.57 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-N 113.478 -1.692 . . . . 0.0 110.532 -178.611 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . 0.451 ' NE2' ' NE2' ' A' ' 58' ' ' GLN . 82.4 t60 -54.46 -51.24 65.62 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 120.454 -0.498 . . . . 0.0 110.0 -174.707 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 67.8 mm-40 -62.0 -51.04 69.63 Favored 'General case' 0 CA--C 1.539 0.525 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 178.346 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.485 ' CD2' HH21 ' A' ' 60' ' ' ARG . 0.9 OUTLIER -58.5 -53.74 54.86 Favored 'General case' 0 CA--C 1.546 0.799 0 N-CA-C 112.736 0.643 . . . . 0.0 112.736 -179.321 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.434 HE21 ' H ' ' A' ' 57' ' ' GLN . 0.5 OUTLIER -57.56 -37.67 73.52 Favored 'General case' 0 CA--C 1.547 0.83 0 CA-C-N 118.222 0.464 . . . . 0.0 111.469 -178.553 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.451 ' NE2' ' NE2' ' A' ' 54' ' ' HIS . 86.9 mt-30 -63.81 -53.88 43.9 Favored 'General case' 0 N--CA 1.478 0.974 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 179.205 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 67.8 mmm -64.75 -35.09 79.96 Favored 'General case' 0 CA--C 1.512 -0.495 0 CA-C-O 120.893 0.378 . . . . 0.0 111.057 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.485 HH21 ' CD2' ' A' ' 56' ' ' HIS . 38.2 ttm180 -59.76 -48.93 79.71 Favored 'General case' 0 CA--C 1.549 0.933 0 N-CA-C 109.23 -0.655 . . . . 0.0 109.23 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 75.9 m-20 -60.71 -36.6 79.24 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-O 121.09 0.471 . . . . 0.0 110.046 -179.716 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 62.3 m-20 -64.76 -36.66 85.01 Favored 'General case' 0 N--CA 1.464 0.249 0 N-CA-C 108.963 -0.754 . . . . 0.0 108.963 178.216 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 7.3 tp -58.66 -47.7 83.56 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.566 -179.311 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -61.18 -44.47 97.25 Favored 'General case' 0 CA--C 1.554 1.113 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.41 179.404 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -63.91 -49.74 71.46 Favored 'General case' 0 N--CA 1.487 1.399 0 N-CA-C 113.718 1.007 . . . . 0.0 113.718 -178.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -67.98 -44.79 75.85 Favored 'General case' 0 N--CA 1.482 1.137 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 -177.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 79.1 mtm180 -55.88 -44.14 77.85 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-N 116.541 -0.3 . . . . 0.0 110.538 -179.677 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 77.0 tt0 . . . . . 0 N--CA 1.48 1.052 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 179.752 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 48.2 m . . . . . 0 N--CA 1.475 0.808 0 CA-C-O 120.677 0.275 . . . . 0.0 111.341 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 64.6 mm-40 -72.01 -35.46 69.44 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 122.495 0.318 . . . . 0.0 110.478 177.748 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 43.9 t -59.59 -50.05 75.38 Favored 'General case' 0 N--CA 1.479 0.99 0 CA-C-O 120.725 0.297 . . . . 0.0 110.909 -179.705 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 9.6 mp -62.82 -42.78 99.87 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 178.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.487 ' O ' ' N ' ' A' ' 13' ' ' GLY . 58.1 ttm-85 -59.7 -54.37 47.16 Favored 'General case' 0 C--N 1.352 0.708 0 C-N-CA 120.84 -0.344 . . . . 0.0 110.336 -179.39 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 53.52 -77.47 0.01 OUTLIER 'General case' 0 CA--C 1.545 0.779 0 O-C-N 124.254 0.971 . . . . 0.0 110.844 -179.602 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.487 ' N ' ' O ' ' A' ' 11' ' ' ARG . . . 78.12 16.89 79.11 Favored Glycine 0 N--CA 1.473 1.123 0 N-CA-C 110.632 -0.987 . . . . 0.0 110.632 179.416 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -76.61 -16.91 80.36 Favored Glycine 0 CA--C 1.531 1.033 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 179.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 95.47 -32.73 5.99 Favored Glycine 0 N--CA 1.48 1.611 0 N-CA-C 111.272 -0.731 . . . . 0.0 111.272 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 46.5 mtmt -119.72 127.43 52.84 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 123.301 0.64 . . . . 0.0 109.418 179.338 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.4 tp -153.3 136.43 15.61 Favored 'General case' 0 C--O 1.221 -0.418 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 -179.159 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 21.1 p30 -156.39 164.78 37.87 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 108.232 -1.025 . . . . 0.0 108.232 179.094 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 24.0 p90 -31.13 -40.22 0.03 OUTLIER 'General case' 0 N--CA 1.483 1.184 0 O-C-N 124.357 1.036 . . . . 0.0 113.119 -177.199 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -74.19 -45.81 46.08 Favored 'General case' 0 C--O 1.208 -1.086 0 CA-C-O 121.436 0.636 . . . . 0.0 112.453 -179.607 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 66.2 mm-40 -61.62 -44.84 96.24 Favored 'General case' 0 N--CA 1.484 1.244 0 CA-C-O 121.321 0.581 . . . . 0.0 111.922 -175.263 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.4 pp -75.42 -47.43 27.4 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 115.226 -0.897 . . . . 0.0 110.938 178.584 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 51.6 ttp180 -59.77 -50.29 74.38 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 112.294 0.479 . . . . 0.0 112.294 -176.404 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 40.1 mm-40 -57.71 -36.31 71.83 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.15 -0.932 . . . . 0.0 110.988 -176.798 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -71.97 -48.57 44.11 Favored 'General case' 0 N--CA 1.448 -0.56 0 O-C-N 123.9 0.75 . . . . 0.0 110.233 175.269 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 20.2 mt -63.96 -33.13 75.03 Favored 'General case' 0 N--CA 1.496 1.864 0 CA-C-N 114.88 -1.055 . . . . 0.0 111.785 -175.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -55.23 -46.26 76.0 Favored 'General case' 0 CA--C 1.555 1.143 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 178.029 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -60.28 -35.88 89.37 Favored Glycine 0 CA--C 1.54 1.645 0 CA-C-N 115.969 -0.559 . . . . 0.0 112.006 178.811 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -70.09 -0.07 7.04 Favored 'General case' 0 N--CA 1.479 1.007 0 CA-C-O 121.289 0.566 . . . . 0.0 111.122 -179.249 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 71.4 20.57 78.36 Favored Glycine 0 N--CA 1.469 0.864 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.421 177.656 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -66.97 162.69 21.42 Favored 'General case' 0 N--CA 1.472 0.666 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 58.0 p -91.04 158.6 16.59 Favored 'General case' 0 CA--C 1.503 -0.841 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.231 -176.435 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.49 ' O ' ' HG3' ' A' ' 37' ' ' GLU . 15.4 p-10 -62.9 -45.03 94.43 Favored 'General case' 0 C--O 1.213 -0.841 0 CA-C-N 116.596 -0.275 . . . . 0.0 110.503 -179.662 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.58 -46.49 86.84 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 120.629 -0.428 . . . . 0.0 110.684 -179.159 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 -66.45 -42.19 87.97 Favored 'General case' 0 N--CA 1.478 0.957 0 CA-C-O 120.72 0.295 . . . . 0.0 110.88 -176.678 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 65.2 mt -57.25 -48.02 83.14 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.579 0 N-CA-C 108.709 -0.848 . . . . 0.0 108.709 179.341 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.49 ' HG3' ' O ' ' A' ' 33' ' ' ASP . 96.3 mt-10 -55.29 -45.83 76.2 Favored 'General case' 0 CA--C 1.5 -0.957 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.802 -178.66 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.05 -45.28 94.25 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.426 -179.445 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.6 mp -63.26 -47.54 91.68 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.136 0 C-N-CA 119.282 -0.967 . . . . 0.0 111.348 -174.21 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -67.68 -44.6 77.39 Favored 'General case' 0 CA--C 1.512 -0.516 0 CA-C-O 121.513 0.673 . . . . 0.0 110.756 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 24.3 m -58.31 -46.36 86.29 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-N 114.887 -1.051 . . . . 0.0 111.404 -176.589 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -70.94 -48.69 52.1 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.483 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -72.28 -32.85 66.97 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 119.555 -0.858 . . . . 0.0 110.413 -176.207 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -109.58 111.58 23.15 Favored 'General case' 0 N--CA 1.48 1.055 0 N-CA-C 108.075 -1.083 . . . . 0.0 108.075 179.43 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.448 ' N ' ' NE2' ' A' ' 45' ' ' GLN . 0.8 OUTLIER -63.23 -50.98 68.1 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-O 119.254 -0.403 . . . . 0.0 111.363 -176.628 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 65.3 m-20 -106.36 -2.47 22.16 Favored 'General case' 0 N--CA 1.479 1.009 0 CA-C-N 118.347 0.521 . . . . 0.0 111.054 178.703 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 47.8 27.09 4.51 Favored Glycine 0 N--CA 1.481 1.676 0 C-N-CA 121.432 -0.413 . . . . 0.0 112.476 -178.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -117.64 -14.28 10.22 Favored 'General case' 0 N--CA 1.495 1.807 0 C-N-CA 123.52 0.728 . . . . 0.0 112.124 -178.168 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -125.82 171.25 10.84 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 123.17 0.588 . . . . 0.0 109.848 -177.469 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -75.69 147.95 39.01 Favored 'General case' 0 CA--C 1.517 -0.293 0 CA-C-N 115.005 -0.998 . . . . 0.0 108.491 179.493 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 34.3 tp -91.05 122.89 34.09 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-O 121.844 0.831 . . . . 0.0 110.69 -177.489 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.7 t -80.74 178.29 8.47 Favored 'General case' 0 CA--C 1.501 -0.925 0 CA-C-N 114.273 -1.33 . . . . 0.0 109.784 -178.178 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.423 ' O ' ' NE2' ' A' ' 57' ' ' GLN . 75.6 mm-40 -73.23 -52.2 14.94 Favored 'General case' 0 C--N 1.306 -1.283 0 CA-C-N 113.195 -1.821 . . . . 0.0 110.867 -177.122 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 58.8 t-80 -55.44 -50.29 70.22 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 120.175 -0.61 . . . . 0.0 109.69 -174.308 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 41.9 tp10 -61.48 -49.6 76.11 Favored 'General case' 0 CA--C 1.537 0.45 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 179.027 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 45.0 t60 -58.67 -54.03 51.64 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.485 -179.44 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.598 HE21 ' N ' ' A' ' 57' ' ' GLN . 0.0 OUTLIER -57.38 -36.58 71.43 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 121.024 -0.27 . . . . 0.0 111.006 -178.952 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 48.9 tt0 -64.73 -54.69 27.47 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 120.84 -0.344 . . . . 0.0 110.559 -178.678 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 34.0 mmt -63.15 -34.7 78.2 Favored 'General case' 0 C--N 1.351 0.644 0 CA-C-O 120.838 0.351 . . . . 0.0 110.371 -179.756 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.444 HH11 ' NH1' ' A' ' 11' ' ' ARG . 60.5 ttp180 -59.86 -48.53 81.32 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.775 -178.305 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 75.0 m-20 -61.75 -37.76 85.44 Favored 'General case' 0 N--CA 1.466 0.374 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -65.7 -40.38 92.22 Favored 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 178.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 6.4 tp -59.8 -49.82 76.21 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.262 -178.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.7 tp10 -57.78 -44.67 86.41 Favored 'General case' 0 CA--C 1.549 0.926 0 CA-C-O 120.932 0.396 . . . . 0.0 110.185 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -63.06 -46.52 87.09 Favored 'General case' 0 N--CA 1.479 0.983 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.32 179.279 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 69.0 mt-10 -65.19 -45.91 82.9 Favored 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 179.657 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 73.2 mtt-85 -46.22 -25.78 0.67 Allowed 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 122.281 0.232 . . . . 0.0 111.227 179.572 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 72.2 tt0 . . . . . 0 CA--C 1.541 0.608 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 178.914 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 59.7 m . . . . . 0 N--CA 1.473 0.685 0 CA-C-O 120.261 0.076 . . . . 0.0 110.854 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 76.0 tt0 -71.11 -37.14 72.35 Favored 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 179.464 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 79.3 p -59.89 -51.5 69.42 Favored 'General case' 0 N--CA 1.478 0.93 0 CA-C-N 116.67 -0.241 . . . . 0.0 111.082 -179.335 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 23.1 mt -63.78 -41.28 97.97 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 122.617 0.367 . . . . 0.0 110.766 179.413 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.453 ' O ' ' N ' ' A' ' 13' ' ' GLY . 41.1 ttm180 -60.5 -53.13 61.29 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 116.132 -0.485 . . . . 0.0 109.838 179.836 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 59.07 -74.22 0.02 OUTLIER 'General case' 0 CA--C 1.544 0.749 0 O-C-N 124.436 1.085 . . . . 0.0 110.137 -179.584 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 11' ' ' ARG . . . 116.14 -19.7 13.27 Favored Glycine 0 N--CA 1.48 1.611 0 C-N-CA 124.57 1.081 . . . . 0.0 110.6 178.82 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -69.68 -46.28 54.92 Favored Glycine 0 N--CA 1.47 0.936 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 179.091 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 106.96 -60.34 0.35 Allowed Glycine 0 N--CA 1.482 1.756 0 N-CA-C 110.51 -1.036 . . . . 0.0 110.51 -179.602 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 57.2 mtpt -65.59 129.0 38.22 Favored 'General case' 0 N--CA 1.473 0.715 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.516 HD22 ' HB3' ' A' ' 22' ' ' LEU . 6.5 mt -154.56 133.47 12.29 Favored 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 -178.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.419 ' O ' ' N ' ' A' ' 21' ' ' GLU . 12.9 t-20 -119.51 139.18 52.51 Favored 'General case' 0 N--CA 1.447 -0.623 0 C-N-CA 124.484 1.114 . . . . 0.0 108.701 178.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.415 ' CD1' ' ND2' ' A' ' 18' ' ' ASN . 53.8 p90 -31.37 -39.46 0.03 OUTLIER 'General case' 0 C--O 1.206 -1.197 0 C-N-CA 124.02 0.928 . . . . 0.0 112.309 -177.258 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -72.68 -45.53 58.39 Favored 'General case' 0 N--CA 1.481 1.123 0 CA-C-O 121.042 0.449 . . . . 0.0 111.687 178.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.419 ' N ' ' O ' ' A' ' 18' ' ' ASN . 62.0 mm-40 -59.67 -47.21 86.53 Favored 'General case' 0 N--CA 1.486 1.33 0 N-CA-C 113.03 0.752 . . . . 0.0 113.03 -176.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.547 HD12 ' N ' ' A' ' 23' ' ' ARG . 2.7 pp -75.63 -46.87 29.1 Favored 'General case' 0 CA--C 1.549 0.91 0 CA-C-N 115.549 -0.751 . . . . 0.0 111.75 178.209 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.547 ' N ' HD12 ' A' ' 22' ' ' LEU . 2.6 tmt_? -59.89 -50.37 74.04 Favored 'General case' 0 N--CA 1.486 1.374 0 CA-C-O 120.907 0.384 . . . . 0.0 111.718 -176.487 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 20.0 mm-40 -59.11 -34.79 72.43 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.958 -178.067 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -70.8 -47.75 57.82 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 109.271 -0.641 . . . . 0.0 109.271 176.075 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 55.2 mt -61.51 -32.28 72.32 Favored 'General case' 0 N--CA 1.497 1.9 0 CA-C-N 115.485 -0.78 . . . . 0.0 112.007 -177.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.6 ttpp -55.19 -45.33 75.84 Favored 'General case' 0 CA--C 1.557 1.212 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 178.319 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -60.83 -35.17 89.65 Favored Glycine 0 CA--C 1.538 1.494 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.885 179.17 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -70.41 -0.05 7.52 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 123.008 0.523 . . . . 0.0 111.235 -179.337 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 71.71 19.91 78.29 Favored Glycine 0 N--CA 1.468 0.806 0 CA-C-N 115.397 -0.82 . . . . 0.0 111.676 177.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -66.4 162.32 20.71 Favored 'General case' 0 N--CA 1.475 0.818 0 CA-C-N 117.652 0.726 . . . . 0.0 109.826 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 57.8 p -91.51 162.31 14.6 Favored 'General case' 0 CA--C 1.507 -0.708 0 CA-C-N 115.238 -0.892 . . . . 0.0 109.767 -176.206 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -61.21 -42.05 97.91 Favored 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 109.724 -0.472 . . . . 0.0 109.724 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.28 -47.03 86.91 Favored 'General case' 0 C--N 1.352 0.684 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 74.3 mt-10 -67.77 -48.07 67.41 Favored 'General case' 0 N--CA 1.473 0.691 0 O-C-N 121.584 -0.697 . . . . 0.0 110.174 -178.158 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 83.8 mt -58.46 -50.71 77.84 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.942 0 CA-C-N 115.571 -0.74 . . . . 0.0 111.073 -177.373 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -63.38 -43.53 97.32 Favored 'General case' 0 C--N 1.355 0.81 0 CA-C-O 121.377 0.608 . . . . 0.0 111.604 -177.515 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.66 -45.14 91.48 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 115.196 -0.911 . . . . 0.0 111.708 -179.009 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.2 mp -61.79 -46.9 95.53 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.998 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.953 -174.217 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.463 ' CB ' HD11 ' A' ' 22' ' ' LEU . 0.4 OUTLIER -67.97 -43.5 78.85 Favored 'General case' 0 CA--C 1.509 -0.602 0 CA-C-O 122.056 0.931 . . . . 0.0 110.359 -179.777 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 23.9 m -60.27 -45.58 92.79 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-N 113.682 -1.599 . . . . 0.0 111.29 -176.703 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -67.38 -49.89 61.97 Favored 'General case' 0 N--CA 1.443 -0.806 0 C-N-CA 119.955 -0.698 . . . . 0.0 110.729 -178.187 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.792 ' O ' HD11 ' A' ' 51' ' ' LEU . 8.8 m-85 -73.67 -31.52 63.5 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 120.986 -0.286 . . . . 0.0 110.969 -177.876 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -109.02 103.75 12.83 Favored 'General case' 0 N--CA 1.486 1.358 0 N-CA-C 107.46 -1.311 . . . . 0.0 107.46 179.125 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.452 ' N ' ' NE2' ' A' ' 45' ' ' GLN . 0.9 OUTLIER -59.35 -50.29 74.55 Favored 'General case' 0 CA--C 1.549 0.928 0 CA-C-N 115.728 -0.669 . . . . 0.0 112.133 -175.755 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -104.72 -0.32 27.52 Favored 'General case' 0 N--CA 1.489 1.491 0 CA-C-N 119.044 0.838 . . . . 0.0 111.751 -179.109 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.58 20.29 59.04 Favored Glycine 0 N--CA 1.471 0.993 0 N-CA-C 112.188 -0.365 . . . . 0.0 112.188 -177.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -120.54 -12.97 8.84 Favored 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 123.825 0.85 . . . . 0.0 111.811 178.418 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -109.47 140.67 42.93 Favored 'General case' 0 N--CA 1.491 1.587 0 CA-C-O 121.277 0.56 . . . . 0.0 112.288 -175.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -76.05 148.59 37.87 Favored 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 124.785 1.234 . . . . 0.0 108.059 177.519 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.792 HD11 ' O ' ' A' ' 43' ' ' TYR . 4.5 mm? -90.42 118.11 29.65 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-O 121.945 0.878 . . . . 0.0 110.163 -176.75 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.3 t -80.18 -178.34 6.52 Favored 'General case' 0 CA--C 1.487 -1.458 0 CA-C-N 114.454 -1.248 . . . . 0.0 108.481 -176.501 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.404 ' O ' ' NE2' ' A' ' 57' ' ' GLN . 72.7 mt-10 -61.52 -62.44 1.81 Allowed 'General case' 0 C--N 1.308 -1.205 0 CA-C-N 114.277 -1.328 . . . . 0.0 111.37 -177.872 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 82.7 t60 -55.35 -50.33 69.95 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 119.91 -0.716 . . . . 0.0 110.783 -174.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 40.7 tp10 -61.54 -45.25 94.95 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 118.326 0.512 . . . . 0.0 110.58 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 54.1 t-80 -63.57 -47.57 80.96 Favored 'General case' 0 CA--C 1.545 0.775 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.638 178.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.619 HE21 ' N ' ' A' ' 57' ' ' GLN . 0.0 OUTLIER -64.61 -34.93 79.42 Favored 'General case' 0 CA--C 1.56 1.344 0 O-C-N 121.629 -0.669 . . . . 0.0 111.173 -179.778 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 72.3 mt-30 -63.13 -55.04 28.64 Favored 'General case' 0 N--CA 1.49 1.542 0 CA-C-N 118.338 0.517 . . . . 0.0 111.295 -179.091 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.72 -34.47 77.24 Favored 'General case' 0 C--N 1.351 0.672 0 O-C-N 122.039 -0.413 . . . . 0.0 110.424 -179.82 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 58.7 ttp180 -58.7 -48.02 82.55 Favored 'General case' 0 C--N 1.359 0.988 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 -178.61 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -60.09 -36.05 76.56 Favored 'General case' 0 C--N 1.341 0.211 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 179.374 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -69.66 -39.2 77.19 Favored 'General case' 0 C--N 1.35 0.609 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.321 179.602 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.3 tp -59.07 -50.29 74.65 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.808 -179.198 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 41.1 tp10 -58.75 -45.38 89.85 Favored 'General case' 0 CA--C 1.549 0.916 0 CA-C-O 120.595 0.236 . . . . 0.0 110.619 -179.791 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -63.8 -45.67 88.6 Favored 'General case' 0 N--CA 1.476 0.867 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.796 179.226 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 62.7 mm-40 -65.16 -50.76 64.74 Favored 'General case' 0 N--CA 1.476 0.827 0 N-CA-C 109.894 -0.41 . . . . 0.0 109.894 -179.682 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 64.9 mtp85 -52.16 -42.89 63.78 Favored 'General case' 0 N--CA 1.477 0.918 0 CA-C-N 116.958 -0.11 . . . . 0.0 110.744 179.757 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 . . . . . 0 N--CA 1.48 1.056 0 N-CA-C 110.076 -0.342 . . . . 0.0 110.076 179.0 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 68.1 m . . . . . 0 N--CA 1.474 0.726 0 CA-C-O 120.632 0.253 . . . . 0.0 110.717 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 78.8 tt0 -69.16 -39.69 78.63 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.996 179.352 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 47.4 t -61.27 -45.79 93.05 Favored 'General case' 0 N--CA 1.477 0.903 0 CA-C-O 120.782 0.325 . . . . 0.0 111.225 -179.309 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 33.4 mt -62.3 -43.8 97.99 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.012 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.532 ' O ' ' N ' ' A' ' 13' ' ' GLY . 70.8 ttt-85 -72.01 -55.0 8.19 Favored 'General case' 0 C--O 1.216 -0.658 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 -179.587 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 9.8 tp-100 51.39 -77.46 0.01 OUTLIER 'General case' 0 CA--C 1.553 1.095 0 CA-C-N 115.921 -0.582 . . . . 0.0 111.065 -179.119 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.532 ' N ' ' O ' ' A' ' 11' ' ' ARG . . . 87.4 17.14 59.3 Favored Glycine 0 N--CA 1.472 1.043 0 N-CA-C 110.416 -1.074 . . . . 0.0 110.416 179.704 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -74.3 -23.49 75.6 Favored Glycine 0 N--CA 1.474 1.169 0 N-CA-C 111.156 -0.777 . . . . 0.0 111.156 179.536 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 93.48 -73.02 1.26 Allowed Glycine 0 N--CA 1.477 1.381 0 N-CA-C 110.604 -0.998 . . . . 0.0 110.604 -179.561 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 28.7 mtmm -71.85 116.58 12.41 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 179.581 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.504 HD22 ' CD2' ' A' ' 22' ' ' LEU . 9.4 mt -153.05 134.51 14.36 Favored 'General case' 0 C--O 1.213 -0.85 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 -177.686 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.437 ' O ' ' N ' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -133.7 142.97 48.23 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 106.994 -1.484 . . . . 0.0 106.994 179.652 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 49.0 p90 -33.36 -31.31 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 124.119 0.968 . . . . 0.0 113.221 -179.55 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -72.47 -44.88 61.7 Favored 'General case' 0 C--O 1.214 -0.765 0 N-CA-C 109.06 -0.718 . . . . 0.0 109.06 -178.7 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 18' ' ' ASN . 71.8 mm-40 -59.12 -40.39 85.24 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 115.119 -0.946 . . . . 0.0 109.343 -179.581 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.504 ' CD2' HD22 ' A' ' 17' ' ' LEU . 66.5 mt -74.29 -47.67 33.31 Favored 'General case' 0 CA--C 1.498 -1.041 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.481 178.18 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 32.0 ttm180 -62.79 -53.83 48.25 Favored 'General case' 0 C--N 1.317 -0.813 0 C-N-CA 119.444 -0.902 . . . . 0.0 110.952 -177.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -60.29 -39.65 87.65 Favored 'General case' 0 CA--C 1.501 -0.924 0 CA-C-N 115.094 -0.957 . . . . 0.0 112.001 -176.329 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -71.23 -48.71 49.65 Favored 'General case' 0 N--CA 1.444 -0.745 0 CA-C-O 121.298 0.57 . . . . 0.0 110.332 176.086 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 44.1 mt -64.4 -32.14 73.64 Favored 'General case' 0 N--CA 1.497 1.886 0 CA-C-N 114.597 -1.183 . . . . 0.0 112.221 -176.597 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.8 ttpt -55.3 -44.62 75.92 Favored 'General case' 0 CA--C 1.562 1.441 0 C-N-CA 119.785 -0.766 . . . . 0.0 110.031 178.025 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -61.18 -30.82 74.84 Favored Glycine 0 CA--C 1.536 1.4 0 CA-C-N 116.18 -0.464 . . . . 0.0 112.436 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -70.79 3.23 3.38 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 122.955 0.502 . . . . 0.0 111.643 -178.419 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 71.23 19.1 77.17 Favored Glycine 0 N--CA 1.468 0.822 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 177.109 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -69.97 162.18 28.59 Favored 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 179.632 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 71.8 p -88.79 158.39 18.17 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.536 -176.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -59.51 -44.65 93.09 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 116.727 -0.215 . . . . 0.0 110.593 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.01 -46.41 88.27 Favored 'General case' 0 N--CA 1.473 0.72 0 O-C-N 123.762 0.664 . . . . 0.0 110.021 -179.71 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 69.8 mm-40 -70.02 -43.83 70.53 Favored 'General case' 0 N--CA 1.467 0.382 0 O-C-N 121.666 -0.646 . . . . 0.0 110.767 -177.717 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 85.3 mt -60.52 -50.6 79.74 Favored 'Isoleucine or valine' 0 C--O 1.243 0.734 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.153 -177.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.419 ' O ' ' CD2' ' A' ' 40' ' ' PHE . 11.2 pt-20 -62.73 -42.45 99.67 Favored 'General case' 0 C--N 1.349 0.575 0 CA-C-O 121.766 0.794 . . . . 0.0 111.527 -176.588 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.61 -43.44 93.76 Favored 'General case' 0 C--O 1.222 -0.356 0 CA-C-N 114.69 -1.141 . . . . 0.0 111.367 -178.762 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.1 mp -61.74 -46.85 95.64 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.079 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.595 -173.138 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.419 ' CD2' ' O ' ' A' ' 37' ' ' GLU . 0.5 OUTLIER -66.98 -39.99 87.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.981 0.896 . . . . 0.0 110.39 -178.933 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 52.6 m -59.99 -44.21 94.67 Favored 'General case' 0 CA--C 1.513 -0.45 0 CA-C-N 113.641 -1.618 . . . . 0.0 111.692 -176.036 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -67.68 -49.11 64.45 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 120.281 -0.567 . . . . 0.0 110.197 -179.383 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.44 ' CD1' ' SD ' ' A' ' 59' ' ' MET . 14.6 m-85 -72.55 -32.2 65.89 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 119.971 -0.692 . . . . 0.0 111.408 -177.193 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -106.49 108.18 19.56 Favored 'General case' 0 N--CA 1.481 1.116 0 N-CA-C 106.796 -1.557 . . . . 0.0 106.796 178.523 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.472 ' N ' ' NE2' ' A' ' 45' ' ' GLN . 0.7 OUTLIER -60.95 -51.48 69.09 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 112.326 0.491 . . . . 0.0 112.326 -175.937 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 59.9 m-20 -106.28 -2.31 22.49 Favored 'General case' 0 N--CA 1.477 0.915 0 CA-C-N 118.805 0.729 . . . . 0.0 110.665 178.505 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 53.02 25.54 24.54 Favored Glycine 0 N--CA 1.481 1.691 0 C-N-CA 120.977 -0.63 . . . . 0.0 111.751 -178.679 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 64.2 m-20 -117.7 -12.56 10.26 Favored 'General case' 0 N--CA 1.492 1.637 0 C-N-CA 123.479 0.712 . . . . 0.0 111.98 -178.308 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.1 pm0 -125.81 163.53 22.69 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 123.66 0.784 . . . . 0.0 110.461 -178.24 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 73.4 mt-10 -76.1 148.5 37.84 Favored 'General case' 0 N--CA 1.444 -0.731 0 CA-C-N 114.48 -1.236 . . . . 0.0 108.368 178.745 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 32.1 tp -91.03 120.44 32.02 Favored 'General case' 0 CA--C 1.536 0.415 0 O-C-N 123.616 0.572 . . . . 0.0 109.561 -177.486 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.4 t -79.5 -179.73 7.0 Favored 'General case' 0 CA--C 1.481 -1.688 0 CA-C-N 115.063 -0.971 . . . . 0.0 109.316 -177.169 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.496 ' O ' ' NE2' ' A' ' 57' ' ' GLN . 62.0 mt-10 -73.88 -54.04 8.85 Favored 'General case' 0 N--CA 1.428 -1.548 0 CA-C-N 113.225 -1.807 . . . . 0.0 110.231 -176.454 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -53.29 -49.89 66.04 Favored 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 120.23 -0.588 . . . . 0.0 109.672 -174.659 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 39.8 tp10 -62.21 -44.13 97.26 Favored 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 178.466 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.424 ' NE2' ' O ' ' A' ' 11' ' ' ARG . 29.1 t-80 -59.31 -49.25 78.56 Favored 'General case' 0 C--N 1.355 0.828 0 O-C-N 123.526 0.516 . . . . 0.0 110.067 -179.741 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.496 ' NE2' ' O ' ' A' ' 53' ' ' GLU . 1.4 mp0 -57.75 -34.48 69.58 Favored 'General case' 0 N--CA 1.481 1.078 0 O-C-N 121.808 -0.557 . . . . 0.0 111.342 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 55.6 tt0 -64.67 -55.7 18.47 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 120.543 -0.463 . . . . 0.0 110.873 -178.261 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.44 ' SD ' ' CD1' ' A' ' 43' ' ' TYR . 11.8 ptm -59.11 -35.09 72.83 Favored 'General case' 0 C--N 1.348 0.525 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 179.3 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 58.5 ttp180 -58.51 -48.75 79.8 Favored 'General case' 0 C--N 1.362 1.126 0 C-N-CA 120.181 -0.608 . . . . 0.0 109.73 -175.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 74.0 m-20 -60.62 -35.5 76.32 Favored 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 179.385 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 51.3 m-20 -69.93 -36.66 75.5 Favored 'General case' 0 C--N 1.346 0.456 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 179.209 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 6.9 tp -60.56 -49.04 79.14 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.218 -179.096 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 90.9 mt-10 -57.73 -44.12 85.78 Favored 'General case' 0 CA--C 1.547 0.854 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 178.707 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -60.57 -43.32 97.43 Favored 'General case' 0 N--CA 1.483 1.19 0 CA-C-O 120.877 0.37 . . . . 0.0 110.949 179.597 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 65.6 mt-10 -58.31 -34.82 70.99 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 51.3 ttt85 -53.66 -43.17 68.62 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.339 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 . . . . . 0 N--CA 1.471 0.62 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.696 179.362 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 88.6 p . . . . . 0 N--CA 1.475 0.78 0 N-CA-C 110.717 -0.105 . . . . 0.0 110.717 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 42.3 tp10 -60.95 -40.18 92.33 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 110.169 -0.308 . . . . 0.0 110.169 -178.609 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 49.5 m -58.47 -50.03 75.22 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-O 120.933 0.397 . . . . 0.0 110.193 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 77.8 mt -65.55 -38.05 88.45 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.344 178.753 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 34.9 ttm180 -58.23 -26.03 62.4 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.268 -179.19 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 68.4 tp60 -45.95 -66.57 0.38 Allowed 'General case' 0 CA--C 1.543 0.68 0 O-C-N 123.556 0.535 . . . . 0.0 110.77 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 65.66 18.33 65.85 Favored Glycine 0 C--N 1.339 0.698 0 N-CA-C 110.682 -0.967 . . . . 0.0 110.682 178.604 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -53.58 -12.69 2.51 Favored Glycine 0 CA--C 1.531 1.032 0 N-CA-C 111.974 -0.45 . . . . 0.0 111.974 -179.71 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 99.74 -72.75 0.48 Allowed Glycine 0 N--CA 1.475 1.261 0 N-CA-C 110.54 -1.024 . . . . 0.0 110.54 179.425 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 60.1 mmtt -72.44 107.81 5.19 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 179.44 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.549 HD22 HD21 ' A' ' 22' ' ' LEU . 12.8 mt -149.69 134.18 17.5 Favored 'General case' 0 C--O 1.22 -0.469 0 O-C-N 124.039 0.837 . . . . 0.0 109.14 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.494 ' ND2' ' H ' ' A' ' 20' ' ' ASP . 12.2 t30 -133.07 142.96 49.03 Favored 'General case' 0 C--O 1.218 -0.562 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 178.221 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 47.6 p90 -33.59 -30.67 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 123.896 0.878 . . . . 0.0 113.071 -179.132 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.494 ' H ' ' ND2' ' A' ' 18' ' ' ASN . 36.4 t70 -72.31 -45.67 58.98 Favored 'General case' 0 C--O 1.211 -0.938 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.504 -179.539 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 18' ' ' ASN . 69.7 mm-40 -59.29 -37.84 78.69 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 115.648 -0.706 . . . . 0.0 109.385 -179.687 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.549 HD21 HD22 ' A' ' 17' ' ' LEU . 64.4 mt -74.91 -48.54 24.11 Favored 'General case' 0 CA--C 1.498 -1.054 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.394 178.003 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 37.1 ttp180 -61.33 -52.18 65.76 Favored 'General case' 0 C--N 1.315 -0.915 0 C-N-CA 119.843 -0.743 . . . . 0.0 111.021 -179.094 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 45.4 mm-40 -58.03 -39.26 77.94 Favored 'General case' 0 CA--C 1.501 -0.91 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.681 -176.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -72.37 -49.02 37.11 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-O 121.015 0.435 . . . . 0.0 111.078 175.175 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 46.0 mt -63.7 -31.98 73.33 Favored 'General case' 0 N--CA 1.497 1.92 0 CA-C-N 115.082 -0.963 . . . . 0.0 112.028 -177.116 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.5 ttpt -54.79 -44.81 74.07 Favored 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 120.045 -0.662 . . . . 0.0 109.962 178.503 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -63.01 -33.26 86.75 Favored Glycine 0 N--CA 1.472 1.037 0 N-CA-C 111.804 -0.519 . . . . 0.0 111.804 179.738 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -70.29 3.47 2.88 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 122.813 0.445 . . . . 0.0 111.599 -178.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 70.8 19.35 76.72 Favored Glycine 0 N--CA 1.467 0.707 0 N-CA-C 110.799 -0.92 . . . . 0.0 110.799 176.722 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -68.27 162.32 25.35 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 69.9 p -91.1 159.02 16.32 Favored 'General case' 0 CA--C 1.506 -0.727 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.814 -177.52 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 17.6 p-10 -60.79 -44.44 96.82 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.427 179.798 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.08 -46.66 87.7 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 123.789 0.68 . . . . 0.0 109.85 -178.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.403 ' O ' HD13 ' A' ' 39' ' ' ILE . 67.8 mm-40 -68.48 -42.44 78.68 Favored 'General case' 0 N--CA 1.469 0.501 0 O-C-N 121.72 -0.613 . . . . 0.0 110.58 -178.17 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 51.9 mt -59.9 -50.83 78.6 Favored 'Isoleucine or valine' 0 C--O 1.239 0.517 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.107 -178.037 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -63.72 -41.78 98.02 Favored 'General case' 0 C--N 1.346 0.427 0 CA-C-O 121.482 0.658 . . . . 0.0 111.933 -176.094 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.31 -45.66 83.44 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 114.883 -1.053 . . . . 0.0 111.795 -177.48 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.403 HD13 ' O ' ' A' ' 35' ' ' GLU . 1.3 mp -62.24 -46.87 95.43 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.477 0 C-N-CA 119.948 -0.701 . . . . 0.0 111.29 -173.794 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -66.91 -41.39 87.17 Favored 'General case' 0 C--O 1.212 -0.912 0 CA-C-O 121.612 0.72 . . . . 0.0 109.864 -178.682 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 7.1 m -58.26 -41.9 85.25 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 114.498 -1.228 . . . . 0.0 110.406 -175.467 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 26.0 mmtp -67.31 -48.86 66.36 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.097 -179.282 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 -72.14 -32.19 66.69 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 119.892 -0.723 . . . . 0.0 109.949 -177.603 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -108.4 108.17 19.03 Favored 'General case' 0 N--CA 1.486 1.374 0 N-CA-C 109.894 -0.41 . . . . 0.0 109.894 -179.419 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.484 ' N ' ' NE2' ' A' ' 45' ' ' GLN . 1.1 mp0 -63.22 -50.6 69.59 Favored 'General case' 0 C--O 1.238 0.497 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.611 -177.237 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 61.9 m-20 -105.04 -2.04 24.92 Favored 'General case' 0 N--CA 1.478 0.973 0 CA-C-N 118.301 0.5 . . . . 0.0 111.559 -179.558 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 51.37 22.67 7.71 Favored Glycine 0 N--CA 1.476 1.362 0 C-N-CA 121.067 -0.587 . . . . 0.0 112.645 -179.681 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -118.15 -14.35 9.9 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 122.788 0.435 . . . . 0.0 111.747 -178.325 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -122.77 167.97 12.83 Favored 'General case' 0 N--CA 1.477 0.904 0 CA-C-O 121.557 0.694 . . . . 0.0 110.56 -177.802 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -75.4 149.83 38.49 Favored 'General case' 0 CA--C 1.519 -0.212 0 C-N-CA 125.018 1.327 . . . . 0.0 109.496 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 95.7 mt -88.9 120.16 30.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.662 0.744 . . . . 0.0 110.936 -176.036 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.492 HG22 ' N ' ' A' ' 53' ' ' GLU . 63.8 m -79.12 168.62 19.37 Favored 'General case' 0 N--CA 1.438 -1.042 0 CA-C-N 114.241 -1.345 . . . . 0.0 107.986 -177.363 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.492 ' N ' HG22 ' A' ' 52' ' ' THR . 87.6 mt-10 -70.04 -52.05 27.15 Favored 'General case' 0 C--O 1.208 -1.125 0 CA-C-N 113.751 -1.568 . . . . 0.0 110.324 -178.776 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -54.13 -50.26 67.32 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 119.889 -0.725 . . . . 0.0 109.678 -173.647 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 44.0 tp10 -62.68 -51.52 66.89 Favored 'General case' 0 C--O 1.222 -0.352 0 CA-C-O 120.769 0.319 . . . . 0.0 110.292 178.644 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 36.7 t-80 -58.36 -51.75 68.48 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.503 -178.192 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -58.08 -34.56 70.28 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 121.064 -0.254 . . . . 0.0 111.239 -179.804 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 48.4 tt0 -66.89 -54.37 22.92 Favored 'General case' 0 CA--C 1.538 0.515 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 -179.557 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 36.0 mmt -62.4 -34.72 77.28 Favored 'General case' 0 C--N 1.351 0.645 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 179.638 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 72.4 ttt180 -58.48 -48.1 81.89 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 119.542 -0.863 . . . . 0.0 110.091 -178.245 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -60.07 -41.93 93.44 Favored 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 179.422 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -62.8 -39.37 94.06 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 115.422 -0.808 . . . . 0.0 109.382 178.346 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.75 -47.61 84.45 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.453 -177.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.431 ' HA ' ' HE ' ' A' ' 67' ' ' ARG . 75.3 tt0 -57.32 -43.8 83.61 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-O 121.11 0.481 . . . . 0.0 110.088 -179.84 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -62.52 -41.82 99.11 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.469 179.38 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 91.3 mt-10 -62.57 -48.48 79.3 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 110.129 -0.322 . . . . 0.0 110.129 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.431 ' HE ' ' HA ' ' A' ' 64' ' ' GLU . 86.0 mtm180 -53.61 -42.52 67.8 Favored 'General case' 0 N--CA 1.475 0.797 0 O-C-N 123.036 0.21 . . . . 0.0 110.785 -179.096 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 74.3 tt0 . . . . . 0 CA--C 1.541 0.61 0 C-N-CA 120.893 -0.323 . . . . 0.0 110.408 -179.886 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 51.9 t30 . . . . . 0 N--CA 1.488 1.433 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 20.1 m -61.51 -46.4 90.15 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.82 -179.51 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 27.0 m -60.96 -24.7 33.68 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.46 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.223 179.634 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 16.4 t70 55.12 90.83 0.03 OUTLIER 'General case' 0 CA--C 1.54 0.596 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.692 -179.213 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -68.57 89.63 0.37 Allowed 'General case' 0 N--CA 1.469 0.523 0 CA-C-O 121.026 0.441 . . . . 0.0 110.082 -179.014 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 18.0 tt -64.24 -22.03 30.27 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.32 179.615 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 36.2 t -50.48 -23.03 2.19 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.431 -179.597 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 74.5 mm-40 -67.45 -46.67 72.38 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 115.969 -0.559 . . . . 0.0 109.912 178.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 85.3 p -62.4 -42.56 99.52 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-O 120.99 0.424 . . . . 0.0 110.692 179.582 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 45.1 mt -65.18 -37.4 87.22 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.697 -179.129 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 79.6 ttt180 -59.27 -44.01 92.47 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 116.125 -0.488 . . . . 0.0 109.974 -179.63 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 98.2 mm-40 -58.78 152.49 18.92 Favored 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 179.324 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 144.62 18.95 0.19 Allowed Glycine 0 N--CA 1.475 1.28 0 N-CA-C 110.391 -1.084 . . . . 0.0 110.391 -178.379 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -67.13 59.35 0.24 Allowed Glycine 0 N--CA 1.472 1.088 0 N-CA-C 111.357 -0.697 . . . . 0.0 111.357 -179.482 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 63.65 -73.36 0.04 OUTLIER Glycine 0 C--N 1.337 0.637 0 N-CA-C 111.597 -0.601 . . . . 0.0 111.597 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 56.7 mtpt -82.58 107.57 15.32 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.9 tp -150.46 136.5 18.5 Favored 'General case' 0 C--O 1.224 -0.285 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 178.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.413 ' ND2' ' N ' ' A' ' 18' ' ' ASN . 0.1 OUTLIER -149.43 156.45 42.04 Favored 'General case' 0 CA--C 1.511 -0.553 0 N-CA-C 108.385 -0.968 . . . . 0.0 108.385 -179.694 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 44.0 p90 -31.27 -36.2 0.01 OUTLIER 'General case' 0 C--O 1.206 -1.192 0 O-C-N 124.945 1.403 . . . . 0.0 112.593 -177.358 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -71.71 -45.87 60.44 Favored 'General case' 0 N--CA 1.482 1.134 0 CA-C-O 121.719 0.771 . . . . 0.0 112.579 179.457 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 65.4 mm-40 -61.51 -45.93 92.13 Favored 'General case' 0 N--CA 1.483 1.223 0 N-CA-C 112.543 0.571 . . . . 0.0 112.543 -177.431 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.401 HD12 ' N ' ' A' ' 23' ' ' ARG . 2.6 pp -76.5 -46.89 24.72 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 115.233 -0.894 . . . . 0.0 112.406 178.162 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.401 ' N ' HD12 ' A' ' 22' ' ' LEU . 3.9 tmm_? -60.4 -49.41 77.7 Favored 'General case' 0 N--CA 1.495 1.797 0 C-N-CA 120.619 -0.432 . . . . 0.0 111.678 -175.695 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -59.17 -34.61 72.32 Favored 'General case' 0 CA--C 1.504 -0.793 0 CA-C-N 116.192 -0.458 . . . . 0.0 112.131 -178.63 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -71.49 -47.83 53.01 Favored 'General case' 0 N--CA 1.447 -0.595 0 CA-C-O 121.621 0.724 . . . . 0.0 110.409 176.375 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 60.7 mt -63.82 -31.8 73.09 Favored 'General case' 0 N--CA 1.498 1.973 0 CA-C-N 114.971 -1.013 . . . . 0.0 111.899 -176.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.4 ttpt -55.12 -43.88 74.51 Favored 'General case' 0 CA--C 1.549 0.933 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.786 178.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -63.2 -34.76 90.84 Favored Glycine 0 N--CA 1.474 1.207 0 N-CA-C 111.274 -0.73 . . . . 0.0 111.274 179.441 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -70.69 2.48 4.09 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 122.962 0.505 . . . . 0.0 111.517 -179.135 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 72.15 19.7 78.69 Favored Glycine 0 N--CA 1.46 0.272 0 CA-C-N 115.703 -0.681 . . . . 0.0 111.639 177.283 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -66.82 162.35 21.77 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 117.964 0.882 . . . . 0.0 110.181 -179.732 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 72.9 p -90.99 158.51 16.66 Favored 'General case' 0 CA--C 1.502 -0.89 0 CA-C-N 115.716 -0.675 . . . . 0.0 109.516 -176.398 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.457 ' O ' ' HG3' ' A' ' 37' ' ' GLU . 72.2 m-20 -63.29 -44.92 93.66 Favored 'General case' 0 C--O 1.212 -0.897 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 -179.825 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.18 -46.15 86.28 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 120.43 -0.508 . . . . 0.0 110.453 -179.134 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 65.2 mm-40 -65.64 -46.16 80.24 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-O 121.366 0.603 . . . . 0.0 110.475 -177.266 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 64.7 mt -56.85 -48.58 81.03 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.856 0 CA-C-N 114.673 -1.148 . . . . 0.0 108.65 -179.037 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.457 ' HG3' ' O ' ' A' ' 33' ' ' ASP . 77.1 mt-10 -59.56 -48.6 81.04 Favored 'General case' 0 CA--C 1.501 -0.916 0 C-N-CA 122.945 0.498 . . . . 0.0 111.592 -179.482 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.6 -44.78 95.44 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.964 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.4 mp -62.32 -47.86 91.05 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.946 0 C-N-CA 118.923 -1.111 . . . . 0.0 112.752 -174.676 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -67.74 -43.78 79.09 Favored 'General case' 0 CA--C 1.501 -0.936 0 CA-C-O 121.393 0.615 . . . . 0.0 110.198 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 26.9 m -58.02 -44.98 87.63 Favored 'General case' 0 C--N 1.347 0.471 0 CA-C-N 114.385 -1.279 . . . . 0.0 111.357 -176.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -64.78 -50.25 67.51 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 120.652 -0.419 . . . . 0.0 110.542 -179.667 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 36.6 m-85 -72.06 -33.01 67.6 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 119.022 -1.071 . . . . 0.0 110.175 -178.455 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -103.17 100.53 10.45 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 122.742 0.417 . . . . 0.0 110.439 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 34.6 mm-40 -63.24 -52.33 62.57 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-O 118.778 -0.63 . . . . 0.0 111.601 -176.525 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -106.94 -2.77 20.9 Favored 'General case' 0 C--N 1.364 1.237 0 CA-C-N 119.343 0.974 . . . . 0.0 111.611 177.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 39.91 42.8 2.3 Favored Glycine 0 N--CA 1.496 2.692 0 CA-C-N 117.717 0.235 . . . . 0.0 113.602 -178.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -115.57 -23.4 8.78 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 123.484 0.714 . . . . 0.0 111.627 -178.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.448 ' H ' ' NE2' ' A' ' 49' ' ' GLN . 2.5 pm0 -127.88 174.51 9.09 Favored 'General case' 0 N--CA 1.486 1.328 0 CA-C-O 121.441 0.639 . . . . 0.0 110.731 -178.352 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 19.8 mp0 -76.18 147.3 38.54 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 114.799 -1.091 . . . . 0.0 109.377 179.611 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -91.67 118.91 31.07 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.592 -177.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.0 t -79.75 -178.48 6.42 Favored 'General case' 0 N--CA 1.426 -1.668 0 CA-C-N 114.437 -1.256 . . . . 0.0 108.437 -175.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 92.3 mt-10 -69.44 -58.51 3.9 Favored 'General case' 0 C--N 1.299 -1.593 0 CA-C-N 113.058 -1.883 . . . . 0.0 111.633 -178.133 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 94.5 m-70 -56.88 -50.71 71.68 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 120.319 -0.553 . . . . 0.0 110.901 -174.503 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -60.22 -50.76 72.4 Favored 'General case' 0 C--N 1.343 0.296 0 CA-C-N 118.731 0.696 . . . . 0.0 110.608 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 55.3 t-80 -62.67 -50.54 70.78 Favored 'General case' 0 CA--C 1.549 0.942 0 CA-C-O 119.367 -0.349 . . . . 0.0 111.908 -179.471 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.676 HE21 ' N ' ' A' ' 57' ' ' GLN . 0.0 OUTLIER -62.53 -40.5 96.97 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-N 118.312 0.506 . . . . 0.0 111.479 -179.212 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 46.2 tt0 -59.4 -54.6 44.85 Favored 'General case' 0 N--CA 1.481 1.083 0 CA-C-N 118.086 0.403 . . . . 0.0 110.735 -177.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 36.4 mmt -62.1 -38.89 90.58 Favored 'General case' 0 C--N 1.348 0.515 0 O-C-N 122.445 -0.16 . . . . 0.0 110.677 -179.406 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 71.3 ttp85 -58.81 -48.2 82.12 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.466 -176.697 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 77.5 m-20 -62.83 -43.31 99.14 Favored 'General case' 0 CA--C 1.531 0.216 0 N-CA-C 109.897 -0.408 . . . . 0.0 109.897 179.071 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 56.2 m-20 -63.2 -47.04 84.25 Favored 'General case' 0 CA--C 1.545 0.775 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.587 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -64.28 -46.08 85.22 Favored 'General case' 0 N--CA 1.476 0.863 0 O-C-N 122.311 -0.243 . . . . 0.0 110.677 179.623 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 75.8 tt0 -58.26 -47.91 82.09 Favored 'General case' 0 C--N 1.348 0.539 0 C-N-CA 120.517 -0.473 . . . . 0.0 110.379 179.481 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 33.7 mmtm -60.85 -38.25 84.91 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 122.683 0.393 . . . . 0.0 111.662 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 90.4 mt-10 -70.81 -43.12 69.29 Favored 'General case' 0 N--CA 1.475 0.788 0 O-C-N 123.44 0.462 . . . . 0.0 109.875 178.36 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -55.01 -45.11 75.09 Favored 'General case' 0 N--CA 1.477 0.898 0 CA-C-O 120.698 0.285 . . . . 0.0 111.0 -179.27 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -65.68 -62.41 1.53 Allowed 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 179.102 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -51.59 -42.54 62.01 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.643 -178.652 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 60.6 tp -59.35 -43.8 92.75 Favored 'General case' 0 N--CA 1.479 0.996 0 CA-C-N 116.664 -0.244 . . . . 0.0 110.76 -179.526 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 76.3 m-20 -72.8 -62.69 1.37 Allowed 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 -179.6 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 79.3 mt -60.55 92.33 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.519 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 37.1 p-10 -60.32 155.85 16.97 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.194 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -63.69 -34.08 77.07 Favored 'General case' 0 N--CA 1.473 0.725 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.19 -179.571 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 50.2 m -160.74 167.57 26.58 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.937 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 60.2 m -59.54 -37.01 77.25 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.906 179.387 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 10.9 mp -67.59 152.81 95.93 Favored Pre-proline 0 CA--C 1.556 1.194 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.299 -178.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_exo . . . . . 0 N--CA 1.517 2.878 0 C-N-CA 122.826 2.351 . . . . 0.0 113.68 177.998 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 21.8 m120 . . . . . 0 N--CA 1.487 1.411 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.8 t -63.29 -22.29 66.78 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.523 179.607 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 27.1 m -59.85 -29.16 42.52 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.475 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.48 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 42.51 44.71 3.65 Favored 'General case' 0 N--CA 1.482 1.17 0 CA-C-O 121.357 0.599 . . . . 0.0 111.368 -179.612 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -57.2 158.94 4.83 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.427 -179.147 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 17.0 tt -64.73 -32.73 59.23 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 CA-C-O 120.978 0.418 . . . . 0.0 110.112 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 37.1 t -80.28 11.26 3.68 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 115.864 -0.607 . . . . 0.0 112.012 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -60.95 -40.71 94.38 Favored 'General case' 0 N--CA 1.481 1.117 0 CA-C-O 120.488 0.185 . . . . 0.0 110.927 -179.146 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 52.0 m -68.46 -47.38 67.28 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-O 121.155 0.502 . . . . 0.0 109.767 178.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 81.2 mt -63.27 -35.43 80.32 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.778 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 68.0 ttt-85 -58.84 -26.03 63.79 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 116.517 -0.311 . . . . 0.0 110.912 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -52.66 -69.24 0.12 Allowed 'General case' 0 N--CA 1.48 1.032 0 CA-C-O 120.562 0.22 . . . . 0.0 110.728 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 66.1 18.34 66.82 Favored Glycine 0 N--CA 1.471 0.967 0 N-CA-C 110.696 -0.962 . . . . 0.0 110.696 179.561 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -48.81 -20.38 1.77 Allowed Glycine 0 CA--C 1.53 0.989 0 N-CA-C 112.308 -0.317 . . . . 0.0 112.308 -179.676 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 105.83 -73.3 0.22 Allowed Glycine 0 N--CA 1.476 1.354 0 N-CA-C 110.369 -1.093 . . . . 0.0 110.369 179.461 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 57.2 mtpt -68.89 108.3 3.42 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.8 mt -146.85 128.9 15.53 Favored 'General case' 0 N--CA 1.483 1.216 0 N-CA-C 108.358 -0.979 . . . . 0.0 108.358 179.321 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.431 ' ND2' ' H ' ' A' ' 20' ' ' ASP . 5.8 t30 -131.51 143.71 50.59 Favored 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 107.078 -1.452 . . . . 0.0 107.078 179.122 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 51.1 p90 -31.37 -34.24 0.01 OUTLIER 'General case' 0 C--O 1.21 -0.988 0 O-C-N 124.245 0.966 . . . . 0.0 113.066 -176.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.431 ' H ' ' ND2' ' A' ' 18' ' ' ASN . 31.3 t70 -73.29 -45.13 57.4 Favored 'General case' 0 N--CA 1.481 1.095 0 N-CA-C 112.596 0.591 . . . . 0.0 112.596 178.408 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 68.8 mm-40 -60.88 -44.92 96.43 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 112.785 0.661 . . . . 0.0 112.785 -177.137 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.9 pp -76.85 -46.34 25.06 Favored 'General case' 0 CA--C 1.549 0.923 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.401 177.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.7 tmm_? -61.1 -49.85 75.64 Favored 'General case' 0 N--CA 1.485 1.284 0 O-C-N 122.356 -0.215 . . . . 0.0 111.353 -176.226 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -56.1 -35.36 66.96 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 112.422 0.527 . . . . 0.0 112.422 -178.644 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -72.74 -48.52 37.95 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 113.287 0.847 . . . . 0.0 113.287 177.298 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 24.9 mt -61.42 -31.57 71.5 Favored 'General case' 0 N--CA 1.483 1.193 0 CA-C-N 115.229 -0.896 . . . . 0.0 111.22 -177.317 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -56.42 -43.96 79.89 Favored 'General case' 0 CA--C 1.547 0.828 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 178.454 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -63.98 -35.91 92.6 Favored Glycine 0 CA--C 1.535 1.291 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.414 178.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -70.39 4.4 2.33 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 122.69 0.396 . . . . 0.0 111.503 -179.268 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 71.44 19.48 77.69 Favored Glycine 0 N--CA 1.469 0.86 0 CA-C-N 115.742 -0.663 . . . . 0.0 112.436 177.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.412 ' HD1' ' N ' ' A' ' 31' ' ' HIS . 0.7 OUTLIER -68.56 162.86 24.87 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 118.081 0.941 . . . . 0.0 110.183 179.37 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 68.2 p -94.57 159.72 14.96 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 115.296 -0.865 . . . . 0.0 110.11 -177.113 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -61.44 -41.57 97.4 Favored 'General case' 0 N--CA 1.462 0.151 0 N-CA-C 109.894 -0.41 . . . . 0.0 109.894 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.72 -47.06 87.16 Favored 'General case' 0 CA--C 1.542 0.672 0 O-C-N 123.324 0.39 . . . . 0.0 110.12 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.436 ' O ' HD13 ' A' ' 39' ' ' ILE . 70.0 mm-40 -67.67 -46.78 71.38 Favored 'General case' 0 N--CA 1.477 0.92 0 O-C-N 121.363 -0.835 . . . . 0.0 110.712 -178.22 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 78.1 mt -57.72 -50.17 78.39 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.86 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.036 -177.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -64.19 -41.68 96.99 Favored 'General case' 0 C--N 1.349 0.562 0 CA-C-O 121.739 0.78 . . . . 0.0 111.754 -177.333 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.71 -44.6 85.63 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-N 115.404 -0.816 . . . . 0.0 111.368 -179.476 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.436 HD13 ' O ' ' A' ' 35' ' ' GLU . 1.4 mp -62.15 -46.45 96.44 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 C-N-CA 119.847 -0.741 . . . . 0.0 112.483 -175.662 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -67.44 -38.4 84.46 Favored 'General case' 0 N--CA 1.478 0.942 0 CA-C-O 121.792 0.806 . . . . 0.0 110.959 -179.054 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 23.7 m -61.77 -46.53 89.19 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 114.219 -1.355 . . . . 0.0 111.861 -176.208 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 60.8 mttp -68.21 -48.94 63.84 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.417 179.349 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -72.36 -32.46 66.48 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 120.325 -0.55 . . . . 0.0 110.799 -177.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -109.64 106.07 15.59 Favored 'General case' 0 N--CA 1.494 1.731 0 N-CA-C 108.096 -1.076 . . . . 0.0 108.096 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 17.3 mm-40 -59.94 -50.4 73.92 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 112.764 0.653 . . . . 0.0 112.764 -176.088 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 28.0 t0 -106.11 -2.42 22.65 Favored 'General case' 0 N--CA 1.49 1.54 0 CA-C-N 119.37 0.987 . . . . 0.0 111.82 178.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 41.17 32.38 0.63 Allowed Glycine 0 N--CA 1.484 1.839 0 N-CA-C 113.811 0.285 . . . . 0.0 113.811 -179.242 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -114.35 -16.38 11.99 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 123.308 0.643 . . . . 0.0 111.497 -178.127 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -130.69 -172.05 2.71 Favored 'General case' 0 N--CA 1.488 1.471 0 C-N-CA 122.78 0.432 . . . . 0.0 110.738 -178.123 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 72.8 mm-40 -75.73 147.25 39.47 Favored 'General case' 0 C--N 1.342 0.244 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 -178.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 41.0 tp -90.42 123.3 34.02 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-O 121.764 0.793 . . . . 0.0 109.661 -176.537 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.461 HG22 ' N ' ' A' ' 53' ' ' GLU . 59.0 m -80.67 167.37 20.1 Favored 'General case' 0 N--CA 1.436 -1.133 0 CA-C-N 114.558 -1.201 . . . . 0.0 110.099 -177.269 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.461 ' N ' HG22 ' A' ' 52' ' ' THR . 71.0 mm-40 -72.34 -48.54 41.12 Favored 'General case' 0 N--CA 1.438 -1.065 0 CA-C-N 112.572 -2.104 . . . . 0.0 109.708 -179.57 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.41 ' H ' HG22 ' A' ' 52' ' ' THR . 84.7 t60 -54.64 -50.68 67.56 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 119.801 -0.76 . . . . 0.0 110.294 -175.602 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 71.4 mt-10 -62.34 -44.74 95.77 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 118.686 0.675 . . . . 0.0 110.112 179.201 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 -65.69 -54.34 28.74 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 111.966 0.358 . . . . 0.0 111.966 -179.085 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.415 HE21 ' H ' ' A' ' 57' ' ' GLN . 0.6 OUTLIER -57.32 -38.51 74.17 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 118.361 0.528 . . . . 0.0 110.752 -178.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 7.6 tp-100 -64.66 -54.59 29.31 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 179.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 30.4 tpp -62.58 -36.01 81.34 Favored 'General case' 0 C--N 1.351 0.644 0 CA-C-O 121.538 0.685 . . . . 0.0 110.893 -179.303 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 70.1 ttp85 -58.7 -47.57 84.11 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.344 -178.239 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -60.91 -36.51 79.46 Favored 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 179.206 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 74.8 m-20 -65.08 -40.22 94.34 Favored 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 178.729 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.2 tp -59.58 -49.2 78.69 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.221 -179.392 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 71.8 mm-40 -57.02 -43.92 82.34 Favored 'General case' 0 CA--C 1.552 1.052 0 C-N-CA 120.594 -0.443 . . . . 0.0 110.187 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 13.4 tmtt? -62.97 -44.52 95.83 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 122.792 0.437 . . . . 0.0 111.256 179.627 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 -66.21 -43.49 86.57 Favored 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 110.225 -0.287 . . . . 0.0 110.225 179.013 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 75.0 mtp180 -55.08 -43.06 73.56 Favored 'General case' 0 N--CA 1.481 1.08 0 CA-C-N 117.009 -0.087 . . . . 0.0 110.896 179.636 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -60.44 -65.01 0.75 Allowed 'General case' 0 N--CA 1.48 1.062 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 179.414 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -55.24 -42.01 72.86 Favored 'General case' 0 CA--C 1.553 1.076 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.3 -179.388 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 61.7 tp -63.36 -39.78 95.47 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 122.604 0.362 . . . . 0.0 111.41 179.718 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -60.45 -50.93 71.63 Favored 'General case' 0 N--CA 1.481 1.114 0 CA-C-O 120.849 0.357 . . . . 0.0 110.098 -179.298 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 79.9 mt -64.13 -44.45 92.18 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.179 179.535 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 70.4 m-20 -80.21 84.02 5.97 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 179.661 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 -60.78 -45.25 95.09 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.263 -179.737 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 33.6 t 51.33 -170.24 0.03 OUTLIER 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 115.463 -0.79 . . . . 0.0 110.798 -179.299 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 53.9 m -162.41 -10.7 0.04 OUTLIER 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 110.121 -0.326 . . . . 0.0 110.121 179.63 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 59.1 mt -68.09 145.25 97.57 Favored Pre-proline 0 CA--C 1.562 1.43 0 CA-C-O 118.515 -0.755 . . . . 0.0 111.117 -178.719 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_exo . . . . . 0 N--CA 1.52 3.084 0 C-N-CA 122.64 2.227 . . . . 0.0 113.786 178.757 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 68.6 p -65.41 -32.78 74.59 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.498 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 33.1 t -69.06 84.2 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 179.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -165.49 81.45 0.33 Allowed 'General case' 0 N--CA 1.468 0.448 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 179.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -71.44 155.87 40.12 Favored 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 108.933 -0.765 . . . . 0.0 108.933 179.13 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 17.9 tt -140.37 -37.09 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.182 0 C-N-CA 122.715 0.406 . . . . 0.0 110.126 -179.48 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 54.1 m -77.69 -4.61 47.02 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.952 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 75.1 tt0 -70.95 -40.13 72.2 Favored 'General case' 0 N--CA 1.479 0.976 0 N-CA-C 110.544 -0.169 . . . . 0.0 110.544 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 47.5 t -59.86 -51.42 69.77 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-O 121.027 0.441 . . . . 0.0 111.106 -179.19 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 21.0 mt -61.74 -43.56 98.62 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.894 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.448 ' O ' ' N ' ' A' ' 13' ' ' GLY . 59.8 ttp180 -67.04 -54.04 25.45 Favored 'General case' 0 C--N 1.345 0.399 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.33 -179.075 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 53.92 -78.25 0.01 OUTLIER 'General case' 0 CA--C 1.546 0.813 0 CA-C-N 115.422 -0.808 . . . . 0.0 111.23 -179.454 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 11' ' ' ARG . . . 75.78 16.3 80.75 Favored Glycine 0 N--CA 1.468 0.801 0 N-CA-C 110.636 -0.986 . . . . 0.0 110.636 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -74.96 -21.91 77.68 Favored Glycine 0 N--CA 1.469 0.871 0 N-CA-C 110.976 -0.849 . . . . 0.0 110.976 179.675 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 102.53 -33.73 6.32 Favored Glycine 0 N--CA 1.48 1.605 0 N-CA-C 111.154 -0.778 . . . . 0.0 111.154 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 44.8 mtmt -119.94 126.67 51.46 Favored 'General case' 0 N--CA 1.481 1.089 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 179.482 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.2 tp -154.65 138.6 16.34 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 -179.554 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 14.5 p30 -157.05 165.16 36.88 Favored 'General case' 0 CA--C 1.514 -0.405 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 179.316 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 24.0 p90 -31.3 -41.93 0.04 OUTLIER 'General case' 0 C--O 1.203 -1.35 0 O-C-N 124.75 1.281 . . . . 0.0 113.522 -177.368 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -72.24 -44.82 62.3 Favored 'General case' 0 N--CA 1.483 1.186 0 N-CA-C 112.795 0.665 . . . . 0.0 112.795 -179.199 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 65.8 mm-40 -63.07 -45.35 92.59 Favored 'General case' 0 N--CA 1.481 1.1 0 CA-C-N 115.464 -0.789 . . . . 0.0 112.721 -176.017 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.476 HD12 ' N ' ' A' ' 23' ' ' ARG . 1.8 pp -77.5 -47.56 19.28 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.658 -0.701 . . . . 0.0 112.847 178.355 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.476 ' N ' HD12 ' A' ' 22' ' ' LEU . 1.9 ppt_? -60.88 -45.85 92.94 Favored 'General case' 0 N--CA 1.494 1.76 0 C-N-CA 120.082 -0.647 . . . . 0.0 111.899 -173.202 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -56.16 -35.39 67.14 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.711 -0.677 . . . . 0.0 112.193 -178.076 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -72.36 -48.4 42.06 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 123.678 0.791 . . . . 0.0 112.687 178.227 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 95.9 mt -61.91 -31.47 71.78 Favored 'General case' 0 N--CA 1.484 1.251 0 CA-C-N 114.893 -1.048 . . . . 0.0 111.363 -177.427 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.2 ttpt -56.06 -45.45 79.29 Favored 'General case' 0 CA--C 1.547 0.83 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 178.555 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -62.01 -35.51 91.53 Favored Glycine 0 CA--C 1.533 1.173 0 N-CA-C 111.135 -0.786 . . . . 0.0 111.135 178.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -70.68 2.96 3.51 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 122.844 0.458 . . . . 0.0 111.157 -179.364 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 72.04 19.75 78.58 Favored Glycine 0 N--CA 1.466 0.657 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.943 177.776 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -66.93 162.38 22.01 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 117.7 0.75 . . . . 0.0 110.272 179.52 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 60.4 p -96.04 162.99 13.32 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 115.09 -0.959 . . . . 0.0 109.69 -176.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 -61.8 -40.19 94.35 Favored 'General case' 0 C--O 1.234 0.267 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.32 -46.97 87.12 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 179.669 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.42 ' O ' HD13 ' A' ' 39' ' ' ILE . 73.8 mt-10 -69.37 -48.07 62.37 Favored 'General case' 0 N--CA 1.472 0.627 0 O-C-N 121.205 -0.934 . . . . 0.0 110.028 -178.244 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 78.8 mt -57.14 -50.53 76.24 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.812 -176.702 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -64.1 -38.58 91.59 Favored 'General case' 0 C--N 1.349 0.581 0 CA-C-O 121.197 0.522 . . . . 0.0 111.21 -178.306 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.01 -45.36 81.83 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.037 -179.418 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.42 HD13 ' O ' ' A' ' 35' ' ' GLU . 1.4 mp -61.94 -46.59 96.17 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.759 0 C-N-CA 120.082 -0.647 . . . . 0.0 112.035 -175.56 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -67.18 -41.0 86.62 Favored 'General case' 0 CA--C 1.508 -0.642 0 CA-C-O 121.263 0.554 . . . . 0.0 109.53 -179.495 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 16.6 m -61.09 -46.53 90.26 Favored 'General case' 0 C--N 1.35 0.595 0 CA-C-N 114.853 -1.067 . . . . 0.0 111.097 -175.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 60.5 mttp -69.6 -48.79 58.9 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.377 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.668 ' O ' HD11 ' A' ' 51' ' ' LEU . 8.8 m-85 -71.84 -32.09 67.18 Favored 'General case' 0 C--O 1.209 -1.037 0 C-N-CA 119.204 -0.998 . . . . 0.0 109.969 -176.487 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -112.67 105.35 13.49 Favored 'General case' 0 N--CA 1.483 1.191 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 -179.205 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 27.2 mm-40 -60.1 -50.89 71.93 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 120.746 -0.382 . . . . 0.0 111.833 -177.005 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 64.0 m-20 -105.77 -2.48 23.15 Favored 'General case' 0 N--CA 1.482 1.129 0 CA-C-N 118.719 0.69 . . . . 0.0 111.685 179.209 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 48.3 26.47 4.9 Favored Glycine 0 N--CA 1.484 1.9 0 C-N-CA 121.47 -0.395 . . . . 0.0 112.371 -179.286 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 70.4 m-20 -117.43 -18.71 9.76 Favored 'General case' 0 N--CA 1.489 1.493 0 C-N-CA 123.35 0.66 . . . . 0.0 111.848 -178.507 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.5 pp0? -120.19 164.2 16.59 Favored 'General case' 0 N--CA 1.49 1.527 0 C-N-CA 123.276 0.63 . . . . 0.0 110.566 -177.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -76.52 147.41 37.78 Favored 'General case' 0 C--N 1.343 0.298 0 C-N-CA 124.144 0.978 . . . . 0.0 109.516 178.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.668 HD11 ' O ' ' A' ' 43' ' ' TYR . 3.5 mm? -91.93 118.91 31.2 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-O 122.123 0.964 . . . . 0.0 111.06 -178.327 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.9 t -79.9 -178.1 6.29 Favored 'General case' 0 CA--C 1.493 -1.237 0 CA-C-N 113.426 -1.715 . . . . 0.0 108.218 -177.679 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 92.2 mt-10 -65.26 -58.75 5.17 Favored 'General case' 0 C--N 1.308 -1.212 0 CA-C-N 113.782 -1.554 . . . . 0.0 111.026 -177.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 65.9 m80 -54.76 -50.28 68.8 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 120.364 -0.534 . . . . 0.0 110.499 -174.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 70.6 mm-40 -61.22 -48.01 83.45 Favored 'General case' 0 C--O 1.218 -0.597 0 CA-C-N 118.137 0.426 . . . . 0.0 109.965 178.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 41.5 t-80 -62.55 -53.09 59.91 Favored 'General case' 0 CA--C 1.551 1.015 0 N-CA-C 112.363 0.505 . . . . 0.0 112.363 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.447 HE21 ' H ' ' A' ' 57' ' ' GLN . 0.5 OUTLIER -61.53 -38.26 86.75 Favored 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 111.78 0.289 . . . . 0.0 111.78 -178.621 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 83.5 mt-30 -60.83 -53.99 50.65 Favored 'General case' 0 N--CA 1.478 0.932 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 34.2 mmt -63.42 -36.71 84.65 Favored 'General case' 0 C--N 1.344 0.358 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 58.2 ttp180 -60.53 -48.81 80.12 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 119.475 -0.89 . . . . 0.0 110.381 -178.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 75.9 m-20 -62.3 -36.74 83.07 Favored 'General case' 0 C--N 1.344 0.337 0 CA-C-O 120.916 0.389 . . . . 0.0 110.518 -179.232 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 74.1 m-20 -64.32 -41.38 96.85 Favored 'General case' 0 C--O 1.224 -0.259 0 CA-C-N 115.403 -0.817 . . . . 0.0 108.837 179.302 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.2 tp -61.19 -50.27 73.82 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.459 -179.297 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 72.1 mt-10 -57.17 -46.73 82.53 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 120.554 -0.459 . . . . 0.0 109.853 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -60.91 -43.2 98.88 Favored 'General case' 0 N--CA 1.477 0.894 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.37 179.47 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 90.5 mt-10 -66.56 -46.3 76.53 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 179.465 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 76.5 mtp180 -52.64 -46.15 66.97 Favored 'General case' 0 N--CA 1.481 1.122 0 N-CA-C 111.381 0.141 . . . . 0.0 111.381 -179.676 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -63.24 -65.02 0.74 Allowed 'General case' 0 N--CA 1.479 0.995 0 CA-C-O 120.788 0.327 . . . . 0.0 110.169 179.303 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -51.72 -42.41 62.23 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.942 -179.43 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 56.1 tp -55.37 -44.85 76.41 Favored 'General case' 0 N--CA 1.485 1.279 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.819 -178.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 60.9 m-20 -60.74 -52.1 66.52 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-O 120.997 0.427 . . . . 0.0 109.994 -179.594 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 79.3 mt -60.97 -42.42 98.28 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.439 -179.748 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 75.9 m-20 -64.43 136.5 57.15 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 179.282 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 75.8 m80 -64.76 -43.54 92.94 Favored 'General case' 0 N--CA 1.467 0.421 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 -179.385 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 43.7 t 50.32 21.34 0.79 Allowed 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.176 -179.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 38.7 t -63.2 -19.7 64.75 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 115.327 -0.851 . . . . 0.0 110.937 -179.682 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 64.6 mt -68.13 144.53 96.98 Favored Pre-proline 0 CA--C 1.555 1.136 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.844 -178.671 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_endo . . . . . 0 N--CA 1.511 2.557 0 C-N-CA 121.998 1.799 . . . . 0.0 110.679 179.593 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 5.1 p-10 . . . . . 0 N--CA 1.488 1.458 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 24.3 m -62.33 -50.63 70.88 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-O 120.761 0.315 . . . . 0.0 111.294 -179.735 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 50.7 t -66.22 -44.44 91.37 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 N-CA-C 109.786 -0.449 . . . . 0.0 109.786 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 19.3 p-10 -166.53 160.83 15.65 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.141 -179.569 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 -77.05 111.39 12.57 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.673 179.736 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 43.3 pt -66.38 -23.69 32.06 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 CA-C-O 121.173 0.511 . . . . 0.0 110.348 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 50.0 m -81.09 12.19 3.59 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 115.517 -0.765 . . . . 0.0 111.707 -179.685 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 77.0 tt0 -60.46 -39.44 87.59 Favored 'General case' 0 N--CA 1.481 1.077 0 CA-C-N 117.687 0.221 . . . . 0.0 110.497 -178.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 89.0 p -64.22 -39.92 94.96 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 178.629 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 56.4 mt -66.32 -40.78 90.16 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.573 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -58.46 -25.74 62.6 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 122.08 0.152 . . . . 0.0 110.967 -178.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -46.0 -75.95 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.092 0 O-C-N 123.071 0.232 . . . . 0.0 111.059 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 56.69 18.58 24.82 Favored Glycine 0 N--CA 1.474 1.17 0 N-CA-C 110.981 -0.847 . . . . 0.0 110.981 179.152 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -56.41 -7.89 2.29 Favored Glycine 0 CA--C 1.532 1.133 0 N-CA-C 111.833 -0.507 . . . . 0.0 111.833 -179.512 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 105.1 -62.11 0.36 Allowed Glycine 0 N--CA 1.474 1.177 0 N-CA-C 110.54 -1.024 . . . . 0.0 110.54 179.145 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 41.4 mtmt -82.69 107.74 15.54 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 179.704 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.8 tp -151.2 136.2 17.41 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 109.584 -0.525 . . . . 0.0 109.584 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 21.2 p30 -155.56 164.01 39.22 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.057 -0.719 . . . . 0.0 109.057 179.355 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 29.9 p90 -30.95 -40.54 0.03 OUTLIER 'General case' 0 CA--C 1.547 0.862 0 O-C-N 124.641 1.213 . . . . 0.0 113.017 -177.408 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -73.69 -45.32 53.11 Favored 'General case' 0 N--CA 1.486 1.349 0 CA-C-O 121.31 0.576 . . . . 0.0 112.483 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 67.3 mm-40 -61.54 -45.03 95.91 Favored 'General case' 0 N--CA 1.478 0.958 0 CA-C-O 121.185 0.517 . . . . 0.0 112.077 -176.466 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.1 pp -76.46 -46.85 25.08 Favored 'General case' 0 CA--C 1.547 0.832 0 CA-C-N 115.588 -0.733 . . . . 0.0 112.341 178.416 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 8.0 tmm_? -61.31 -49.97 74.84 Favored 'General case' 0 N--CA 1.487 1.418 0 N-CA-C 112.077 0.399 . . . . 0.0 112.077 -175.376 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -59.97 -34.87 73.86 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.903 -178.732 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -71.62 -48.17 49.72 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-O 121.442 0.639 . . . . 0.0 110.203 175.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 22.6 mt -62.97 -32.05 73.3 Favored 'General case' 0 N--CA 1.494 1.735 0 CA-C-N 114.877 -1.056 . . . . 0.0 111.779 -176.546 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.2 ttpt -55.34 -43.39 74.96 Favored 'General case' 0 CA--C 1.55 0.95 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 178.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -64.11 -35.77 92.41 Favored Glycine 0 CA--C 1.534 1.267 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.744 179.081 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -70.55 2.91 3.47 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 122.702 0.401 . . . . 0.0 111.337 -178.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 71.48 19.42 77.71 Favored Glycine 0 N--CA 1.467 0.742 0 CA-C-N 115.707 -0.679 . . . . 0.0 112.275 177.32 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -67.07 162.47 22.17 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-N 117.832 0.816 . . . . 0.0 110.399 179.76 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 71.8 p -90.37 158.91 16.88 Favored 'General case' 0 CA--C 1.503 -0.861 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.44 -176.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.466 ' O ' ' HG3' ' A' ' 37' ' ' GLU . 73.3 m-20 -62.89 -45.21 93.6 Favored 'General case' 0 C--O 1.213 -0.817 0 N-CA-C 109.786 -0.449 . . . . 0.0 109.786 -179.647 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.51 -46.52 86.57 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 120.519 -0.472 . . . . 0.0 110.889 -179.482 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 62.2 mm-40 -65.61 -42.41 91.64 Favored 'General case' 0 N--CA 1.479 0.986 0 CA-C-O 121.175 0.512 . . . . 0.0 110.839 -176.617 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 66.9 mt -57.34 -47.11 85.18 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.514 0 CA-C-N 115.356 -0.838 . . . . 0.0 109.053 179.663 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.466 ' HG3' ' O ' ' A' ' 33' ' ' ASP . 76.8 mt-10 -57.87 -47.03 83.92 Favored 'General case' 0 CA--C 1.507 -0.706 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.53 -179.45 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.11 -44.68 96.98 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.392 -179.622 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.6 mp -63.48 -47.22 92.64 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.9 0 C-N-CA 118.872 -1.131 . . . . 0.0 111.369 -175.444 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -67.95 -44.78 76.0 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-O 121.69 0.757 . . . . 0.0 110.926 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 40.9 m -59.23 -46.72 87.72 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-N 114.312 -1.313 . . . . 0.0 111.803 -176.737 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -69.62 -48.97 58.2 Favored 'General case' 0 N--CA 1.446 -0.655 0 C-N-CA 121.064 -0.255 . . . . 0.0 110.366 -179.64 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 -71.28 -32.14 68.32 Favored 'General case' 0 C--N 1.352 0.699 0 C-N-CA 119.69 -0.804 . . . . 0.0 110.167 -176.667 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -112.24 103.6 11.76 Favored 'General case' 0 N--CA 1.483 1.223 0 N-CA-C 108.998 -0.741 . . . . 0.0 108.998 -179.125 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.451 ' N ' ' NE2' ' A' ' 45' ' ' GLN . 1.2 mp0 -60.19 -51.2 70.58 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-O 118.905 -0.569 . . . . 0.0 111.184 -176.779 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 65.4 m-20 -106.04 -2.23 22.99 Favored 'General case' 0 N--CA 1.488 1.438 0 CA-C-N 119.025 0.83 . . . . 0.0 112.31 179.196 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 43.89 34.57 2.98 Favored Glycine 0 N--CA 1.489 2.231 0 CA-C-N 117.611 0.187 . . . . 0.0 113.423 -178.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -116.19 -19.74 10.12 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 123.329 0.652 . . . . 0.0 112.253 -178.088 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -125.71 169.62 12.36 Favored 'General case' 0 N--CA 1.494 1.773 0 CA-C-O 121.134 0.492 . . . . 0.0 110.984 -177.856 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -75.94 147.1 39.18 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 123.541 0.736 . . . . 0.0 109.208 179.446 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -91.93 118.43 30.74 Favored 'General case' 0 N--CA 1.481 1.095 0 CA-C-O 121.939 0.876 . . . . 0.0 110.598 -178.186 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 4.9 t -79.62 -177.98 6.12 Favored 'General case' 0 CA--C 1.498 -1.048 0 CA-C-N 114.169 -1.378 . . . . 0.0 109.263 -176.515 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 91.1 mt-10 -63.53 -60.77 2.91 Favored 'General case' 0 C--N 1.311 -1.086 0 CA-C-N 114.101 -1.409 . . . . 0.0 111.331 -178.015 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 46.4 t-80 -56.3 -50.41 71.51 Favored 'General case' 0 N--CA 1.479 0.975 0 C-N-CA 120.354 -0.538 . . . . 0.0 110.988 -174.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 44.7 tp10 -60.45 -49.33 77.99 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 118.678 0.672 . . . . 0.0 110.105 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 21.4 t60 -63.54 -50.68 68.58 Favored 'General case' 0 CA--C 1.549 0.916 0 N-CA-C 111.861 0.319 . . . . 0.0 111.861 -179.63 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.67 HE21 ' N ' ' A' ' 57' ' ' GLN . 0.0 OUTLIER -60.18 -42.21 94.53 Favored 'General case' 0 CA--C 1.552 1.026 0 CA-C-N 118.419 0.554 . . . . 0.0 111.443 -178.931 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 79.5 mm-40 -60.18 -54.51 45.02 Favored 'General case' 0 N--CA 1.481 1.118 0 CA-C-N 117.592 0.178 . . . . 0.0 110.966 -178.525 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 35.9 mmt -61.55 -39.99 93.08 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-O 120.956 0.408 . . . . 0.0 110.567 -179.33 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 60.4 ttp180 -59.79 -48.63 80.91 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.809 -178.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -65.34 -35.94 82.52 Favored 'General case' 0 N--CA 1.464 0.258 0 N-CA-C 110.411 -0.218 . . . . 0.0 110.411 179.729 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 79.3 m-20 -66.78 -46.82 74.09 Favored 'General case' 0 C--N 1.341 0.215 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.947 -178.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 10.9 tp -64.56 -47.94 76.88 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.375 -178.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 78.1 tt0 -57.43 -46.55 83.44 Favored 'General case' 0 CA--C 1.547 0.85 0 CA-C-N 118.228 0.467 . . . . 0.0 110.17 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 25.6 mmtp -62.68 -40.97 98.76 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.305 179.756 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 59.7 mm-40 -69.02 -43.48 74.66 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 178.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -54.44 -43.7 71.84 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 122.073 0.149 . . . . 0.0 110.807 -179.289 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 45.2 tp10 -62.85 -64.81 0.81 Allowed 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 109.492 -0.559 . . . . 0.0 109.492 179.639 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 58.0 m-20 -53.44 -44.6 68.96 Favored 'General case' 0 CA--C 1.55 0.946 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.799 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 62.4 tp -60.95 -42.77 98.89 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 122.455 0.302 . . . . 0.0 111.013 -179.706 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -59.51 -54.1 50.47 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 -179.354 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.432 ' C ' ' H ' ' A' ' 74' ' ' HIS . 5.4 tp -75.36 50.06 0.5 Allowed 'General case' 0 CA--C 1.544 0.731 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.72 -179.843 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 6.9 p30 -68.65 6.86 0.75 Allowed 'General case' 0 N--CA 1.476 0.874 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.408 179.285 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.432 ' H ' ' C ' ' A' ' 72' ' ' LEU . 69.8 m80 -70.62 -34.97 72.68 Favored 'General case' 0 N--CA 1.465 0.307 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 179.19 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 92.9 p -168.02 92.25 0.35 Allowed 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.411 -179.635 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 91.9 p -62.19 -34.78 77.11 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.867 179.547 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.27 148.21 98.8 Favored Pre-proline 0 CA--C 1.555 1.165 0 CA-C-O 118.986 -0.53 . . . . 0.0 110.045 -179.77 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_endo . . . . . 0 N--CA 1.51 2.463 0 C-N-CA 121.903 1.735 . . . . 0.0 110.328 179.0 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 79.8 m-20 . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.1 t -60.44 -20.89 61.42 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.835 179.635 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 50.6 t -62.06 -43.45 97.7 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.571 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -157.9 133.8 9.24 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.952 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 19.3 p-10 -66.42 141.37 57.95 Favored 'General case' 0 CA--C 1.541 0.599 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 179.084 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 35.0 pt -66.3 -20.98 28.04 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 CA-C-O 120.893 0.377 . . . . 0.0 110.28 179.604 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 54.7 m -71.25 7.31 1.34 Allowed 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.422 179.738 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 39.5 tp10 -61.44 -38.73 88.25 Favored 'General case' 0 N--CA 1.478 0.93 0 CA-C-O 120.811 0.339 . . . . 0.0 110.601 -179.683 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 52.7 m -56.64 -51.29 69.26 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-O 120.797 0.332 . . . . 0.0 110.537 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.721 HD12 ' CE2' ' A' ' 43' ' ' TYR . 4.1 mm? -68.16 -32.91 73.5 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.356 179.201 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 65.1 ttt-85 -58.79 -26.68 64.3 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 116.728 -0.215 . . . . 0.0 110.471 -179.175 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 95.8 mm-40 -43.77 -82.93 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.256 0 O-C-N 123.387 0.43 . . . . 0.0 110.739 178.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.406 ' C ' ' H ' ' A' ' 15' ' ' GLY . . . 62.15 18.37 57.57 Favored Glycine 0 N--CA 1.471 1.014 0 N-CA-C 110.701 -0.96 . . . . 0.0 110.701 179.362 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -53.96 -8.38 1.0 Allowed Glycine 0 CA--C 1.538 1.471 0 N-CA-C 111.815 -0.514 . . . . 0.0 111.815 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.406 ' H ' ' C ' ' A' ' 13' ' ' GLY . . . 106.48 -72.27 0.22 Allowed Glycine 0 N--CA 1.474 1.231 0 N-CA-C 110.484 -1.046 . . . . 0.0 110.484 178.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 56.6 mtpt -74.46 108.9 7.52 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 179.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.7 tp -151.14 135.26 16.72 Favored 'General case' 0 C--O 1.221 -0.433 0 N-CA-C 107.452 -1.314 . . . . 0.0 107.452 179.396 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.501 ' ND2' ' H ' ' A' ' 20' ' ' ASP . 9.6 t30 -135.51 145.82 47.47 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 44.3 p90 -31.83 -32.29 0.01 OUTLIER 'General case' 0 C--O 1.198 -1.613 0 C-N-CA 124.147 0.979 . . . . 0.0 112.281 -178.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.501 ' H ' ' ND2' ' A' ' 18' ' ' ASN . 30.3 t70 -72.53 -45.46 59.2 Favored 'General case' 0 N--CA 1.481 1.082 0 CA-C-O 121.329 0.585 . . . . 0.0 111.973 179.016 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.414 ' N ' ' O ' ' A' ' 18' ' ' ASN . 72.3 mm-40 -59.53 -47.12 86.77 Favored 'General case' 0 N--CA 1.486 1.366 0 CA-C-O 121.401 0.62 . . . . 0.0 111.902 -176.863 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.449 HD12 ' N ' ' A' ' 23' ' ' ARG . 2.6 pp -76.15 -46.83 26.74 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 114.603 -1.18 . . . . 0.0 112.041 178.01 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.449 ' N ' HD12 ' A' ' 22' ' ' LEU . 3.3 ttm-85 -60.33 -49.8 76.14 Favored 'General case' 0 N--CA 1.486 1.353 0 CA-C-O 120.939 0.4 . . . . 0.0 111.074 -175.491 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -58.45 -34.78 71.22 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.938 -0.574 . . . . 0.0 112.301 -178.676 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -70.93 -48.23 54.64 Favored 'General case' 0 N--CA 1.448 -0.551 0 C-N-CA 122.848 0.459 . . . . 0.0 110.345 176.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 54.1 mt -61.76 -31.7 71.9 Favored 'General case' 0 N--CA 1.502 2.173 0 CA-C-N 115.111 -0.949 . . . . 0.0 111.775 -176.702 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 34.8 ttpt -55.38 -45.2 76.58 Favored 'General case' 0 CA--C 1.552 1.055 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 178.471 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -61.63 -34.53 88.84 Favored Glycine 0 CA--C 1.536 1.375 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.721 179.407 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp -70.74 1.33 5.52 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 123.016 0.526 . . . . 0.0 111.406 -178.755 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 71.95 19.56 78.37 Favored Glycine 0 N--CA 1.467 0.753 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 177.325 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -67.29 162.76 22.03 Favored 'General case' 0 C--N 1.351 0.634 0 CA-C-N 117.373 0.586 . . . . 0.0 109.798 179.606 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 49.9 p -95.23 161.96 13.88 Favored 'General case' 0 CA--C 1.507 -0.695 0 CA-C-N 115.189 -0.914 . . . . 0.0 109.415 -176.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 72.3 m-20 -60.25 -42.24 94.9 Favored 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.45 -46.89 85.65 Favored 'General case' 0 C--N 1.352 0.714 0 O-C-N 123.648 0.593 . . . . 0.0 109.899 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -68.67 -47.6 66.09 Favored 'General case' 0 N--CA 1.473 0.7 0 O-C-N 121.633 -0.667 . . . . 0.0 110.136 -177.646 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 82.3 mt -57.98 -51.18 73.83 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 CA-C-N 115.248 -0.887 . . . . 0.0 110.705 -176.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -64.0 -42.07 97.29 Favored 'General case' 0 C--N 1.351 0.669 0 CA-C-O 121.136 0.494 . . . . 0.0 111.415 -177.559 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.23 -45.93 82.66 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 115.195 -0.911 . . . . 0.0 110.962 -178.484 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.3 mp -61.55 -47.26 94.21 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.423 0 CA-C-O 121.066 0.46 . . . . 0.0 111.008 -174.102 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -67.85 -42.1 81.91 Favored 'General case' 0 C--O 1.205 -1.251 0 CA-C-O 121.619 0.723 . . . . 0.0 110.447 -179.506 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 15.5 m -58.32 -45.25 88.4 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 114.827 -1.078 . . . . 0.0 111.077 -175.77 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -67.09 -49.11 66.11 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.061 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.721 ' CE2' HD12 ' A' ' 10' ' ' LEU . 16.7 m-85 -71.62 -31.06 66.48 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 120.506 -0.478 . . . . 0.0 111.02 -177.5 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.447 ' N ' ' OD1' ' A' ' 44' ' ' ASP . 0.3 OUTLIER -105.77 104.6 14.35 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 108.636 -0.875 . . . . 0.0 108.636 -179.149 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.462 ' N ' ' NE2' ' A' ' 45' ' ' GLN . 0.4 OUTLIER -62.77 -52.22 64.06 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 120.233 -0.587 . . . . 0.0 111.359 -177.087 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 64.1 m-20 -107.26 -2.92 20.27 Favored 'General case' 0 C--N 1.362 1.122 0 CA-C-N 119.041 0.837 . . . . 0.0 111.049 178.285 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 42.75 37.89 2.96 Favored Glycine 0 N--CA 1.492 2.389 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 -178.212 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -116.78 -19.75 9.78 Favored 'General case' 0 N--CA 1.491 1.589 0 C-N-CA 123.832 0.853 . . . . 0.0 112.157 -178.649 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.42 ' H ' ' NE2' ' A' ' 49' ' ' GLN . 2.7 pm0 -131.07 175.99 8.63 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 123.354 0.662 . . . . 0.0 110.226 -177.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 71.7 mt-10 -76.17 147.9 38.13 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 114.677 -1.147 . . . . 0.0 109.5 179.589 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 16.8 mt -90.92 119.17 30.9 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.173 -177.329 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 6.9 t -79.78 -178.39 6.38 Favored 'General case' 0 CA--C 1.489 -1.367 0 CA-C-N 115.122 -0.945 . . . . 0.0 108.72 -177.076 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -68.8 -58.3 4.38 Favored 'General case' 0 C--N 1.305 -1.33 0 CA-C-N 113.407 -1.724 . . . . 0.0 110.661 -177.613 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 80.9 t60 -55.13 -50.13 70.04 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 119.724 -0.79 . . . . 0.0 110.065 -173.668 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 66.3 tt0 -57.94 -51.17 70.76 Favored 'General case' 0 C--O 1.218 -0.553 0 CA-C-N 118.044 0.383 . . . . 0.0 110.214 178.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.506 ' HE2' HH21 ' A' ' 60' ' ' ARG . 21.1 t60 -62.76 -52.16 64.3 Favored 'General case' 0 CA--C 1.546 0.827 0 N-CA-C 111.965 0.357 . . . . 0.0 111.965 -179.039 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -58.85 -36.7 75.01 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-N 117.687 0.221 . . . . 0.0 111.445 -179.17 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 48.0 tt0 -65.64 -54.37 28.55 Favored 'General case' 0 CA--C 1.541 0.612 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 -179.55 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 34.1 mmt -62.77 -35.1 78.72 Favored 'General case' 0 C--N 1.353 0.736 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.506 HH21 ' HE2' ' A' ' 56' ' ' HIS . 36.0 ttm180 -59.45 -48.98 79.56 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 119.422 -0.911 . . . . 0.0 110.012 -179.019 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -62.49 -36.43 82.49 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-O 120.715 0.293 . . . . 0.0 110.673 -179.652 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 60.7 m-20 -66.23 -44.83 82.64 Favored 'General case' 0 C--O 1.221 -0.415 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.036 -179.601 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 62.7 tp -60.56 -48.02 83.62 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.775 -179.24 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -57.03 -46.58 82.29 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 110.154 -0.313 . . . . 0.0 110.154 -178.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 57.3 mtpt -59.23 -42.02 90.03 Favored 'General case' 0 CA--C 1.551 0.993 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.411 178.481 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -69.88 -42.83 72.95 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 179.494 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 61.9 mtp85 -50.67 -38.92 49.33 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 122.061 0.144 . . . . 0.0 110.755 -179.455 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -58.36 -65.33 0.67 Allowed 'General case' 0 N--CA 1.483 1.186 0 CA-C-O 120.797 0.332 . . . . 0.0 110.336 178.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -53.57 -40.67 65.79 Favored 'General case' 0 N--CA 1.477 0.901 0 CA-C-O 121.002 0.429 . . . . 0.0 110.714 -178.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 75.4 mt -67.09 -38.94 86.58 Favored 'General case' 0 N--CA 1.477 0.923 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.739 -179.641 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -60.02 -46.38 89.69 Favored 'General case' 0 N--CA 1.48 1.066 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 -179.526 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 78.5 mt -64.06 -42.85 96.86 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.292 179.675 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 -66.41 104.98 1.34 Allowed 'General case' 0 CA--C 1.542 0.661 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 179.4 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 67.8 m80 -71.82 -17.79 62.13 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 -179.614 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 51.9 m -60.33 138.79 57.9 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.616 179.534 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 46.5 t -61.68 -41.55 97.71 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 121.068 0.461 . . . . 0.0 110.331 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 68.4 mt -70.55 145.99 93.34 Favored Pre-proline 0 CA--C 1.556 1.204 0 CA-C-N 115.36 -0.836 . . . . 0.0 111.551 -178.192 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_exo . . . . . 0 N--CA 1.513 2.643 0 C-N-CA 122.242 1.962 . . . . 0.0 113.294 178.098 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 18.0 m120 . . . . . 0 N--CA 1.491 1.621 0 N-CA-C 108.936 -0.765 . . . . 0.0 108.936 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 21.5 m -63.9 -47.64 79.8 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-O 120.888 0.375 . . . . 0.0 110.522 179.73 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 49.2 t -62.41 -48.04 90.16 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.437 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 -179.06 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 28.7 t70 52.26 96.08 0.01 OUTLIER 'General case' 0 CA--C 1.542 0.642 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.538 -179.387 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 18.0 p-10 -152.14 32.29 0.53 Allowed 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 120.387 0.137 . . . . 0.0 110.657 -179.349 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 73.6 mt -99.45 -40.22 8.48 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.08 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 179.604 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 48.1 m -72.47 10.51 0.8 Allowed 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.228 -178.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -61.72 -43.41 98.91 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-O 120.506 0.193 . . . . 0.0 110.73 179.399 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 60.7 p -67.81 -45.68 74.05 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-O 121.06 0.457 . . . . 0.0 109.809 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 66.1 mt -61.88 -30.34 70.8 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.535 179.224 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 57.6 ttm-85 -58.46 -27.24 64.21 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.496 -179.198 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -53.66 -93.86 0.0 OUTLIER 'General case' 0 CA--C 1.544 0.737 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.004 179.405 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 60.55 18.71 52.3 Favored Glycine 0 C--N 1.345 1.083 0 N-CA-C 111.079 -0.808 . . . . 0.0 111.079 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -66.52 53.85 0.2 Allowed Glycine 0 C--N 1.344 0.977 0 N-CA-C 111.619 -0.592 . . . . 0.0 111.619 -178.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 68.6 -65.73 0.43 Allowed Glycine 0 C--N 1.337 0.62 0 N-CA-C 111.928 -0.469 . . . . 0.0 111.928 178.672 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.692 ' O ' HD22 ' A' ' 17' ' ' LEU . 71.2 mmtt -88.65 106.6 18.43 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 109.716 -0.475 . . . . 0.0 109.716 -179.768 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.692 HD22 ' O ' ' A' ' 16' ' ' LYS . 1.7 mm? -140.07 125.54 19.06 Favored 'General case' 0 C--O 1.21 -0.976 0 O-C-N 124.159 0.912 . . . . 0.0 108.822 179.307 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.454 ' O ' ' N ' ' A' ' 21' ' ' GLU . 0.8 OUTLIER -136.46 141.69 43.55 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 108.053 -1.091 . . . . 0.0 108.053 -179.768 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 54.7 p90 -33.44 -30.1 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.306 1.042 . . . . 0.0 113.185 -178.69 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -66.95 -45.7 76.95 Favored 'General case' 0 C--O 1.21 -1.02 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 179.277 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 18' ' ' ASN . 69.2 mm-40 -59.35 -41.02 88.24 Favored 'General case' 0 N--CA 1.476 0.872 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.812 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.542 HD21 HD12 ' A' ' 17' ' ' LEU . 61.6 mt -74.88 -47.98 27.25 Favored 'General case' 0 N--CA 1.48 1.037 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.837 178.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 36.6 ttm180 -62.17 -54.29 43.11 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.737 -178.236 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 51.7 mm-40 -59.88 -36.47 76.98 Favored 'General case' 0 CA--C 1.501 -0.93 0 CA-C-N 115.562 -0.745 . . . . 0.0 111.811 -176.311 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 39.1 t70 -72.17 -49.43 35.78 Favored 'General case' 0 N--CA 1.444 -0.756 0 CA-C-O 121.285 0.564 . . . . 0.0 110.645 175.314 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 38.3 mt -62.73 -32.42 73.53 Favored 'General case' 0 N--CA 1.489 1.524 0 CA-C-N 114.609 -1.178 . . . . 0.0 111.842 -177.103 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.8 ttmm -54.89 -45.22 74.65 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 120.085 -0.646 . . . . 0.0 110.423 178.724 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -62.46 -29.89 74.74 Favored Glycine 0 N--CA 1.472 1.065 0 CA-C-N 115.752 -0.658 . . . . 0.0 112.296 -179.215 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -71.06 5.72 1.94 Allowed 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 122.579 0.352 . . . . 0.0 111.73 -178.448 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 70.59 12.19 69.79 Favored Glycine 0 N--CA 1.47 0.913 0 N-CA-C 111.248 -0.741 . . . . 0.0 111.248 176.662 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -66.75 161.93 22.52 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 -179.249 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 70.6 p -88.96 160.47 17.12 Favored 'General case' 0 CA--C 1.507 -0.675 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.068 -177.098 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 58.8 m-20 -58.02 -44.29 87.24 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.743 179.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.21 -47.32 85.78 Favored 'General case' 0 N--CA 1.471 0.606 0 O-C-N 123.691 0.619 . . . . 0.0 109.821 -179.417 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.407 ' O ' HD13 ' A' ' 39' ' ' ILE . 70.1 mm-40 -69.26 -44.81 71.16 Favored 'General case' 0 N--CA 1.472 0.638 0 O-C-N 121.485 -0.759 . . . . 0.0 110.782 -177.7 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 87.1 mt -58.67 -50.46 79.07 Favored 'Isoleucine or valine' 0 C--O 1.242 0.689 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.745 -177.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -63.57 -40.5 97.15 Favored 'General case' 0 C--N 1.345 0.397 0 CA-C-O 121.254 0.549 . . . . 0.0 111.429 -176.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.75 -45.25 87.24 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 115.151 -0.931 . . . . 0.0 111.746 -177.615 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.407 HD13 ' O ' ' A' ' 35' ' ' GLU . 1.4 mp -62.31 -46.34 96.65 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 C-N-CA 119.549 -0.86 . . . . 0.0 111.821 -174.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -67.59 -42.85 81.83 Favored 'General case' 0 C--O 1.206 -1.192 0 CA-C-O 121.798 0.809 . . . . 0.0 109.229 -179.076 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 16.4 m -58.26 -44.16 88.23 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 114.809 -1.087 . . . . 0.0 111.039 -176.153 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -66.21 -48.99 68.8 Favored 'General case' 0 N--CA 1.442 -0.847 0 C-N-CA 119.958 -0.697 . . . . 0.0 110.0 -178.414 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 17.6 m-85 -71.46 -31.28 66.98 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 120.201 -0.599 . . . . 0.0 110.136 -177.616 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.47 ' N ' ' OD1' ' A' ' 44' ' ' ASP . 0.4 OUTLIER -101.22 107.53 18.94 Favored 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 -179.344 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.49 ' N ' ' NE2' ' A' ' 45' ' ' GLN . 0.6 OUTLIER -63.41 -51.78 64.36 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-O 119.147 -0.454 . . . . 0.0 111.677 -176.199 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 36.0 t0 -107.39 -2.77 20.24 Favored 'General case' 0 N--CA 1.481 1.11 0 CA-C-N 118.696 0.68 . . . . 0.0 111.448 177.22 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 48.72 25.25 4.68 Favored Glycine 0 N--CA 1.484 1.87 0 C-N-CA 121.277 -0.487 . . . . 0.0 112.461 -178.062 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -117.75 -19.22 9.38 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 123.365 0.666 . . . . 0.0 111.854 -178.569 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -121.96 170.59 9.66 Favored 'General case' 0 N--CA 1.487 1.403 0 CA-C-O 121.373 0.606 . . . . 0.0 110.331 -177.756 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 -77.02 147.97 36.48 Favored 'General case' 0 C--O 1.234 0.284 0 C-N-CA 123.665 0.786 . . . . 0.0 110.312 179.744 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 18.5 mt -91.13 118.07 30.13 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 120.938 0.399 . . . . 0.0 110.962 -176.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.2 t -79.67 -178.27 6.28 Favored 'General case' 0 N--CA 1.44 -0.96 0 CA-C-N 115.114 -0.948 . . . . 0.0 108.846 -176.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 74.3 mt-10 -70.4 -57.03 5.26 Favored 'General case' 0 C--N 1.31 -1.148 0 CA-C-N 114.54 -1.209 . . . . 0.0 110.748 -177.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 56.4 t-80 -54.43 -50.9 66.54 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 119.957 -0.697 . . . . 0.0 110.231 -173.134 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 71.7 mm-40 -60.54 -51.24 70.25 Favored 'General case' 0 C--O 1.217 -0.638 0 CA-C-N 117.983 0.356 . . . . 0.0 110.361 179.003 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 32.6 t60 -60.09 -52.7 64.23 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 111.716 0.265 . . . . 0.0 111.716 -179.495 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -59.41 -37.0 76.9 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 117.766 0.257 . . . . 0.0 111.492 -179.002 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 50.8 tt0 -63.85 -54.38 35.81 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 -179.214 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 35.0 mmt -62.34 -35.65 79.77 Favored 'General case' 0 C--N 1.348 0.518 0 N-CA-C 109.619 -0.511 . . . . 0.0 109.619 179.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 59.2 ttp180 -59.61 -49.02 79.38 Favored 'General case' 0 C--N 1.347 0.489 0 C-N-CA 119.614 -0.835 . . . . 0.0 110.007 -178.37 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 75.8 m-20 -63.25 -36.43 83.62 Favored 'General case' 0 C--O 1.221 -0.445 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 -179.629 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -64.41 -44.03 92.52 Favored 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 -179.662 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 57.0 tp -61.28 -49.84 75.42 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.547 -179.36 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.4 tp10 -57.5 -45.74 84.57 Favored 'General case' 0 CA--C 1.545 0.768 0 CA-C-O 121.21 0.528 . . . . 0.0 109.911 -178.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 62.1 mmtt -57.12 -41.07 78.31 Favored 'General case' 0 N--CA 1.476 0.836 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.662 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 72.8 mt-10 -76.77 -34.31 58.02 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.034 178.584 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 63.6 ttt-85 -51.97 -39.35 59.2 Favored 'General case' 0 C--N 1.353 0.746 0 C-N-CA 122.53 0.332 . . . . 0.0 111.134 -179.181 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -58.19 -65.24 0.68 Allowed 'General case' 0 N--CA 1.481 1.124 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.089 179.406 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -56.69 -38.36 72.17 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 116.315 -0.402 . . . . 0.0 109.999 -179.609 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 8.2 tp -64.02 -42.8 97.0 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.012 -179.413 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -58.72 -44.91 90.54 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.862 -179.08 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 10.1 tp -63.65 -44.79 92.82 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.308 -179.712 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 68.9 m-20 -66.57 146.02 54.96 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.367 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 61.0 t-80 -62.72 -19.64 64.13 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.582 -0.281 . . . . 0.0 110.343 -179.717 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 46.7 t 52.01 39.0 25.39 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 121.431 0.634 . . . . 0.0 110.701 -179.407 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 96.0 p -60.5 -22.04 63.11 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.258 -179.601 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 64.6 mt -68.14 146.74 98.23 Favored Pre-proline 0 CA--C 1.553 1.072 0 CA-C-O 118.409 -0.805 . . . . 0.0 110.914 -178.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_exo . . . . . 0 N--CA 1.511 2.519 0 C-N-CA 122.52 2.146 . . . . 0.0 113.15 178.504 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 49.7 t30 . . . . . 0 N--CA 1.497 1.923 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 57.9 p -62.15 -27.59 69.06 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-O 120.967 0.413 . . . . 0.0 110.13 -179.762 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 35.1 m -77.09 19.37 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.422 179.484 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 15.3 p-10 -53.42 168.66 0.15 Allowed 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 110.036 -0.357 . . . . 0.0 110.036 179.22 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -162.66 179.03 8.0 Favored 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 64.1 mt -65.13 -44.99 95.45 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.649 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.345 -179.664 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 86.7 p -58.24 -9.41 1.48 Allowed 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.622 -179.123 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 43.3 tp10 -61.82 -45.47 93.68 Favored 'General case' 0 N--CA 1.479 0.984 0 N-CA-C 110.086 -0.339 . . . . 0.0 110.086 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 42.5 t -65.4 -43.14 91.56 Favored 'General case' 0 N--CA 1.481 1.079 0 CA-C-O 120.972 0.415 . . . . 0.0 110.731 179.115 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.457 ' N ' HD12 ' A' ' 10' ' ' LEU . 8.0 mp -64.93 -30.14 71.11 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.509 -179.665 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 34.4 ttm180 -58.21 -26.01 62.3 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 110.102 -0.333 . . . . 0.0 110.102 -178.379 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -50.2 -79.16 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.097 178.626 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 55.3 17.92 12.82 Favored Glycine 0 N--CA 1.473 1.163 0 N-CA-C 110.839 -0.905 . . . . 0.0 110.839 179.443 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -58.58 -6.08 3.17 Favored Glycine 0 CA--C 1.526 0.776 0 N-CA-C 111.614 -0.594 . . . . 0.0 111.614 -179.699 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 107.61 -69.65 0.21 Allowed Glycine 0 C--N 1.35 1.332 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 178.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 41.9 mtmt -82.08 113.85 20.23 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.5 tp -153.39 139.35 18.17 Favored 'General case' 0 C--O 1.216 -0.708 0 N-CA-C 108.111 -1.07 . . . . 0.0 108.111 179.345 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.415 ' ND2' ' N ' ' A' ' 18' ' ' ASN . 0.1 OUTLIER -148.53 154.99 40.55 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.047 0.842 . . . . 0.0 108.737 -178.901 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 41.3 p90 -31.22 -35.11 0.01 OUTLIER 'General case' 0 C--O 1.178 -2.686 0 O-C-N 124.831 1.332 . . . . 0.0 112.629 -177.536 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -72.46 -44.6 62.1 Favored 'General case' 0 C--O 1.204 -1.293 0 CA-C-N 117.703 0.229 . . . . 0.0 111.507 -178.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 73.4 mm-40 -63.55 -48.33 77.92 Favored 'General case' 0 N--CA 1.479 1.023 0 CA-C-O 121.81 0.815 . . . . 0.0 112.309 -176.375 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.0 pp -76.57 -47.16 23.41 Favored 'General case' 0 N--CA 1.483 1.218 0 CA-C-N 114.846 -1.07 . . . . 0.0 112.632 179.554 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.4 ttt180 -61.4 -50.98 70.68 Favored 'General case' 0 N--CA 1.489 1.476 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.653 -175.299 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -56.28 -36.45 68.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.41 -0.813 . . . . 0.0 112.032 -177.635 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -72.11 -49.49 35.79 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 123.767 0.827 . . . . 0.0 113.018 177.461 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 95.0 mt -61.04 -31.57 71.2 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 124.385 1.053 . . . . 0.0 111.198 -177.455 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.2 ttpp -55.84 -44.59 78.12 Favored 'General case' 0 CA--C 1.551 1.015 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 178.687 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -62.54 -31.76 80.88 Favored Glycine 0 CA--C 1.532 1.094 0 N-CA-C 111.741 -0.544 . . . . 0.0 111.741 -179.69 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 43.5 mmtm -71.95 2.29 5.85 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.405 0.682 . . . . 0.0 111.033 -178.561 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 71.57 19.48 77.85 Favored Glycine 0 N--CA 1.471 0.984 0 N-CA-C 111.597 -0.601 . . . . 0.0 111.597 178.213 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -68.39 162.07 26.18 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 117.487 0.643 . . . . 0.0 109.893 179.583 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 70.3 p -92.29 159.01 15.8 Favored 'General case' 0 CA--C 1.502 -0.894 0 CA-C-N 115.912 -0.585 . . . . 0.0 109.488 -176.369 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.52 ' O ' ' HG3' ' A' ' 37' ' ' GLU . 72.2 m-20 -60.88 -44.67 96.77 Favored 'General case' 0 C--O 1.211 -0.951 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 -179.85 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.95 -46.46 85.04 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 120.12 -0.632 . . . . 0.0 110.246 -179.048 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.412 ' O ' HD13 ' A' ' 39' ' ' ILE . 94.9 mt-10 -65.9 -48.89 69.97 Favored 'General case' 0 N--CA 1.48 1.059 0 CA-C-O 121.095 0.474 . . . . 0.0 110.497 -177.422 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 77.2 mt -56.44 -49.7 75.94 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.756 0 CA-C-N 115.221 -0.899 . . . . 0.0 108.882 -177.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.52 ' HG3' ' O ' ' A' ' 33' ' ' ASP . 92.0 mt-10 -61.47 -44.85 96.37 Favored 'General case' 0 CA--C 1.502 -0.871 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.692 -178.622 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.27 -45.67 92.51 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.462 -178.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.412 HD13 ' O ' ' A' ' 35' ' ' GLU . 1.5 mp -62.99 -46.94 95.02 Favored 'Isoleucine or valine' 0 N--CA 1.509 2.51 0 C-N-CA 119.623 -0.831 . . . . 0.0 111.96 -174.727 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -68.11 -46.11 71.82 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-O 121.604 0.716 . . . . 0.0 110.513 179.666 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 48.8 m -58.75 -45.12 90.43 Favored 'General case' 0 C--O 1.238 0.458 0 CA-C-N 114.855 -1.066 . . . . 0.0 111.402 -177.311 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 54.3 mtpt -69.32 -49.25 57.56 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.964 -179.62 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -71.11 -31.07 67.32 Favored 'General case' 0 N--CA 1.484 1.227 0 CA-C-O 119.602 -0.237 . . . . 0.0 110.44 -176.67 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.408 ' OD1' ' NE2' ' A' ' 49' ' ' GLN . 10.1 t0 -108.82 105.55 15.16 Favored 'General case' 0 N--CA 1.483 1.197 0 N-CA-C 107.783 -1.191 . . . . 0.0 107.783 179.548 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.492 ' N ' ' NE2' ' A' ' 45' ' ' GLN . 0.5 OUTLIER -59.12 -50.41 74.14 Favored 'General case' 0 C--O 1.24 0.579 0 N-CA-C 112.559 0.577 . . . . 0.0 112.559 -175.671 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 55.6 m-20 -105.06 -1.66 25.37 Favored 'General case' 0 N--CA 1.48 1.07 0 CA-C-N 118.831 0.741 . . . . 0.0 111.817 -179.555 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 54.67 21.39 21.73 Favored Glycine 0 N--CA 1.482 1.752 0 C-N-CA 121.245 -0.502 . . . . 0.0 112.272 179.719 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 62.9 m-20 -116.84 -16.14 10.62 Favored 'General case' 0 N--CA 1.495 1.807 0 C-N-CA 123.604 0.762 . . . . 0.0 112.773 -176.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.408 ' NE2' ' OD1' ' A' ' 44' ' ' ASP . 3.3 pm0 -122.64 173.56 7.64 Favored 'General case' 0 N--CA 1.488 1.43 0 CA-C-O 121.916 0.865 . . . . 0.0 110.961 -178.247 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 89.4 mt-10 -76.23 149.1 37.25 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 113.907 -1.497 . . . . 0.0 108.908 179.111 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.1 mp -89.16 120.19 30.33 Favored 'General case' 0 CA--C 1.54 0.596 0 CA-C-O 121.632 0.73 . . . . 0.0 109.374 -176.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 91.6 m -79.35 164.81 23.75 Favored 'General case' 0 CA--C 1.493 -1.238 0 CA-C-N 114.549 -1.205 . . . . 0.0 108.295 -176.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 74.9 mt-10 -65.79 -54.41 27.29 Favored 'General case' 0 C--N 1.305 -1.329 0 CA-C-N 113.479 -1.691 . . . . 0.0 110.492 -178.186 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 42.3 m80 -56.18 -50.76 70.29 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 120.205 -0.598 . . . . 0.0 110.41 -173.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -64.18 -49.39 72.23 Favored 'General case' 0 CA--C 1.537 0.464 0 N-CA-C 110.207 -0.294 . . . . 0.0 110.207 179.341 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.457 ' HE2' ' HA ' ' A' ' 10' ' ' LEU . 42.3 t-80 -59.1 -50.96 72.05 Favored 'General case' 0 CA--C 1.546 0.822 0 CA-C-N 116.554 -0.293 . . . . 0.0 111.115 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.683 HE21 ' N ' ' A' ' 57' ' ' GLN . 0.0 OUTLIER -61.88 -34.32 75.81 Favored 'General case' 0 CA--C 1.549 0.914 0 CA-C-N 118.107 0.412 . . . . 0.0 110.972 179.907 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 65.4 tp60 -63.69 -54.26 38.37 Favored 'General case' 0 N--CA 1.479 1.006 0 CA-C-O 121.196 0.522 . . . . 0.0 110.353 -178.441 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 35.1 mmt -61.34 -34.63 75.6 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-O 121.0 0.428 . . . . 0.0 109.99 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 69.1 ttp85 -58.85 -47.79 83.61 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 115.877 -0.602 . . . . 0.0 109.661 -178.722 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 75.0 m-20 -61.31 -38.4 86.72 Favored 'General case' 0 CA--C 1.538 0.508 0 N-CA-C 109.797 -0.445 . . . . 0.0 109.797 179.466 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 64.5 m-20 -66.58 -40.09 88.76 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.444 179.148 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 44.6 tp -61.01 -49.24 78.23 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 116.803 -0.181 . . . . 0.0 110.738 -179.158 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 70.6 mm-40 -56.94 -43.55 81.64 Favored 'General case' 0 CA--C 1.551 0.986 0 N-CA-C 109.789 -0.449 . . . . 0.0 109.789 -179.328 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -62.77 -44.1 97.07 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 122.737 0.415 . . . . 0.0 111.223 178.114 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 65.7 mm-40 -66.41 -45.51 79.72 Favored 'General case' 0 N--CA 1.482 1.168 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 179.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 77.3 mtp180 -54.46 -42.54 70.75 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 122.233 0.213 . . . . 0.0 110.577 179.28 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 74.9 tt0 -62.46 -65.82 0.63 Allowed 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 179.578 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 58.0 m-20 -53.0 -41.43 64.64 Favored 'General case' 0 N--CA 1.478 0.955 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.815 -179.699 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 59.9 tp -62.52 -39.11 92.5 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.585 179.766 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -59.22 -50.46 73.94 Favored 'General case' 0 N--CA 1.483 1.196 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 -178.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 10.5 mp -69.79 93.68 0.76 Allowed 'General case' 0 CA--C 1.541 0.611 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 179.231 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -62.56 138.79 58.56 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 178.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 71.6 m80 -64.07 -50.36 68.69 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-O 120.844 0.354 . . . . 0.0 110.403 -179.375 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 96.5 p -71.86 86.22 0.97 Allowed 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 115.789 -0.642 . . . . 0.0 109.438 179.331 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 91.3 p -64.61 -27.41 68.92 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 116.055 -0.52 . . . . 0.0 109.696 179.399 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 69.8 mt -69.07 143.93 94.86 Favored Pre-proline 0 CA--C 1.562 1.421 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.297 -178.244 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 81.1 Cg_endo . . . . . 0 N--CA 1.511 2.554 0 C-N-CA 121.905 1.737 . . . . 0.0 110.585 179.421 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 81.9 m-20 . . . . . 0 N--CA 1.489 1.509 0 N-CA-C 108.874 -0.788 . . . . 0.0 108.874 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 26.2 m -62.51 -43.28 99.2 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-O 120.875 0.369 . . . . 0.0 110.496 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 34.6 m -79.62 23.24 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.517 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 21.2 p-10 -72.24 44.56 0.12 Allowed 'General case' 0 N--CA 1.479 1.015 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 178.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -76.06 56.73 1.03 Allowed 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.426 ' C ' ' H ' ' A' ' 8' ' ' GLU . 17.8 tt -74.18 -29.73 25.56 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 CA-C-N 116.002 -0.545 . . . . 0.0 109.632 179.146 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 84.4 p -68.15 11.09 0.17 Allowed 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.52 -179.404 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.426 ' H ' ' C ' ' A' ' 6' ' ' ILE . 77.3 tt0 -64.5 -45.94 85.1 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-O 120.641 0.258 . . . . 0.0 110.684 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 78.7 p -70.71 -45.97 63.97 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 110.117 -0.327 . . . . 0.0 110.117 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 19.7 mt -58.98 -29.66 67.37 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.151 -179.419 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.622 HH22 HH22 ' A' ' 60' ' ' ARG . 57.5 ttt85 -58.29 -41.11 83.69 Favored 'General case' 0 N--CA 1.47 0.531 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 -179.687 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 53.14 -124.32 2.28 Favored 'General case' 0 CA--C 1.559 1.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.055 179.626 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 75.88 15.74 81.13 Favored Glycine 0 C--N 1.345 1.082 0 N-CA-C 111.07 -0.812 . . . . 0.0 111.07 179.758 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -80.92 4.81 68.4 Favored Glycine 0 N--CA 1.471 1.018 0 N-CA-C 110.817 -0.913 . . . . 0.0 110.817 179.37 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 68.05 -73.4 0.28 Allowed Glycine 0 CA--C 1.53 1.018 0 N-CA-C 110.916 -0.874 . . . . 0.0 110.916 -179.515 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -84.91 113.33 21.32 Favored 'General case' 0 N--CA 1.485 1.278 0 N-CA-C 107.891 -1.152 . . . . 0.0 107.891 179.407 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.449 HD22 HD21 ' A' ' 22' ' ' LEU . 11.2 mt -151.88 139.2 19.39 Favored 'General case' 0 C--O 1.216 -0.679 0 O-C-N 123.892 0.745 . . . . 0.0 109.732 -179.453 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.404 ' O ' ' N ' ' A' ' 21' ' ' GLU . 2.3 p-10 -141.48 145.47 35.25 Favored 'General case' 0 C--N 1.316 -0.85 0 N-CA-C 107.041 -1.466 . . . . 0.0 107.041 178.769 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 32.1 p90 -32.6 -32.29 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 124.865 1.266 . . . . 0.0 113.888 -177.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -70.64 -45.77 64.56 Favored 'General case' 0 C--O 1.213 -0.853 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 -177.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.404 ' N ' ' O ' ' A' ' 18' ' ' ASN . 70.1 mm-40 -59.47 -39.91 85.2 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 115.196 -0.911 . . . . 0.0 110.12 179.756 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.449 HD21 HD22 ' A' ' 17' ' ' LEU . 66.5 mt -74.77 -47.99 27.98 Favored 'General case' 0 N--CA 1.48 1.035 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.591 178.411 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 33.2 ttm180 -62.28 -53.85 49.13 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.69 -0.687 . . . . 0.0 110.454 -178.244 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 50.2 mm-40 -60.22 -37.57 80.73 Favored 'General case' 0 CA--C 1.504 -0.803 0 CA-C-N 115.262 -0.881 . . . . 0.0 112.282 -176.691 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -72.3 -49.17 36.58 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-O 121.357 0.599 . . . . 0.0 110.208 175.679 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 45.0 mt -63.19 -32.22 73.56 Favored 'General case' 0 N--CA 1.492 1.643 0 CA-C-N 114.42 -1.263 . . . . 0.0 112.061 -176.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 32.8 ttmt -55.16 -45.67 75.73 Favored 'General case' 0 CA--C 1.558 1.252 0 C-N-CA 120.235 -0.586 . . . . 0.0 110.734 178.566 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -62.21 -29.41 72.89 Favored Glycine 0 CA--C 1.532 1.15 0 CA-C-N 115.861 -0.609 . . . . 0.0 112.872 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -70.9 7.32 1.19 Allowed 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 122.644 0.378 . . . . 0.0 111.772 -178.34 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 70.68 11.48 69.05 Favored Glycine 0 N--CA 1.47 0.907 0 N-CA-C 111.287 -0.725 . . . . 0.0 111.287 176.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -66.85 161.62 23.48 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 -179.76 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 68.4 p -89.94 159.72 16.78 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 115.663 -0.698 . . . . 0.0 109.933 -176.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 17.3 p-10 -57.8 -44.26 86.2 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 116.567 -0.288 . . . . 0.0 110.684 179.739 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.32 -46.69 87.89 Favored 'General case' 0 N--CA 1.475 0.776 0 O-C-N 123.559 0.537 . . . . 0.0 110.24 -179.638 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.459 ' O ' HD13 ' A' ' 39' ' ' ILE . 72.2 mm-40 -70.06 -46.82 64.16 Favored 'General case' 0 N--CA 1.47 0.565 0 O-C-N 121.59 -0.694 . . . . 0.0 110.421 -178.111 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 83.3 mt -56.56 -50.05 75.04 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.669 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.646 -177.023 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -62.73 -41.1 99.02 Favored 'General case' 0 C--N 1.346 0.425 0 CA-C-O 120.912 0.386 . . . . 0.0 111.411 -177.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.49 -45.37 83.87 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 115.403 -0.817 . . . . 0.0 112.115 -178.496 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.459 HD13 ' O ' ' A' ' 35' ' ' GLU . 1.5 mp -62.59 -46.68 95.79 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.882 0 C-N-CA 120.317 -0.553 . . . . 0.0 111.564 -175.118 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -67.44 -42.0 83.86 Favored 'General case' 0 C--O 1.214 -0.804 0 CA-C-O 121.784 0.802 . . . . 0.0 109.765 -179.199 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 11.4 m -58.59 -44.28 89.77 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-N 114.743 -1.117 . . . . 0.0 110.992 -176.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 62.0 tttp -65.89 -48.52 71.22 Favored 'General case' 0 N--CA 1.442 -0.873 0 C-N-CA 120.302 -0.559 . . . . 0.0 109.776 -179.268 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -71.74 -31.11 66.33 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 120.277 -0.569 . . . . 0.0 110.666 -177.405 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -105.66 106.99 17.75 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 -179.718 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.469 ' N ' ' NE2' ' A' ' 45' ' ' GLN . 0.7 OUTLIER -63.57 -51.64 64.5 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-O 119.116 -0.468 . . . . 0.0 111.803 -176.736 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 64.9 m-20 -106.91 -2.52 21.2 Favored 'General case' 0 N--CA 1.484 1.246 0 CA-C-N 118.844 0.747 . . . . 0.0 111.379 178.023 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 48.89 24.45 4.33 Favored Glycine 0 N--CA 1.484 1.84 0 N-CA-C 112.137 -0.385 . . . . 0.0 112.137 -178.134 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -118.25 -20.46 8.56 Favored 'General case' 0 N--CA 1.489 1.517 0 C-N-CA 123.485 0.714 . . . . 0.0 112.378 -178.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -120.16 168.97 10.67 Favored 'General case' 0 N--CA 1.488 1.439 0 C-N-CA 123.314 0.646 . . . . 0.0 110.481 -177.293 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -76.63 147.82 37.32 Favored 'General case' 0 C--O 1.233 0.236 0 C-N-CA 124.117 0.967 . . . . 0.0 109.779 179.253 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 19.6 mt -91.12 118.36 30.36 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 121.352 0.596 . . . . 0.0 110.046 -176.617 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.7 t -80.36 -178.05 6.45 Favored 'General case' 0 CA--C 1.496 -1.122 0 CA-C-N 114.917 -1.038 . . . . 0.0 108.834 -177.389 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 88.5 mt-10 -69.22 -56.1 8.61 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 114.19 -1.368 . . . . 0.0 110.302 -178.131 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -54.01 -50.29 66.96 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 120.079 -0.648 . . . . 0.0 110.099 -174.018 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -59.02 -52.71 64.6 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 177.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 21.5 t-80 -58.47 -53.83 53.91 Favored 'General case' 0 CA--C 1.55 0.967 0 N-CA-C 111.905 0.335 . . . . 0.0 111.905 179.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.408 ' N ' ' NE2' ' A' ' 57' ' ' GLN . 0.8 OUTLIER -58.73 -34.52 71.44 Favored 'General case' 0 N--CA 1.473 0.709 0 O-C-N 122.457 -0.152 . . . . 0.0 111.12 -178.702 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -66.87 -54.5 21.69 Favored 'General case' 0 CA--C 1.544 0.728 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 33.5 mmt -61.82 -36.05 80.0 Favored 'General case' 0 C--N 1.352 0.712 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 -179.477 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.622 HH22 HH22 ' A' ' 11' ' ' ARG . 76.6 ttt180 -59.69 -49.35 78.07 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 119.452 -0.899 . . . . 0.0 109.641 -179.531 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -60.07 -36.87 78.3 Favored 'General case' 0 N--CA 1.477 0.88 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 -179.079 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -66.09 -36.79 84.14 Favored 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 178.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.4 tp -62.57 -49.95 73.25 Favored 'General case' 0 C--N 1.343 0.319 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.276 -179.589 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 72.0 mt-10 -57.39 -43.43 83.66 Favored 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 109.735 -0.468 . . . . 0.0 109.735 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 57.2 mttp -57.84 -39.04 76.75 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 122.329 0.252 . . . . 0.0 111.118 179.417 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -48.95 -32.52 9.23 Favored 'General case' 0 N--CA 1.486 1.332 0 CA-C-O 121.746 0.784 . . . . 0.0 110.354 -179.114 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -56.59 -47.3 79.86 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 114.127 -1.397 . . . . 0.0 110.034 -178.22 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 78.7 tt0 -67.3 -45.18 77.31 Favored 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 179.72 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 58.4 m-20 -64.48 -15.67 61.17 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.689 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 5.8 tp -62.52 -34.75 77.52 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.813 -179.108 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -71.88 -44.56 63.54 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 115.866 -0.607 . . . . 0.0 109.741 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 61.7 mt -63.89 -40.81 97.4 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.504 179.638 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -64.05 87.33 0.04 OUTLIER 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 179.457 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 54.4 t-80 -64.92 -42.25 94.88 Favored 'General case' 0 N--CA 1.466 0.357 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 46.0 t 52.48 84.68 0.05 OUTLIER 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.144 -179.346 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 93.1 p -59.44 -32.51 70.28 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.263 -178.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 10.9 mp -65.1 153.14 89.84 Favored Pre-proline 0 CA--C 1.56 1.336 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.686 -178.706 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 74.6 Cg_exo . . . . . 0 N--CA 1.515 2.766 0 C-N-CA 122.759 2.306 . . . . 0.0 113.114 177.949 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 24.5 p-10 . . . . . 0 N--CA 1.494 1.757 0 N-CA-C 108.515 -0.921 . . . . 0.0 108.515 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 23.6 m -63.28 -45.06 93.22 Favored 'General case' 0 N--CA 1.48 1.073 0 CA-C-O 120.721 0.296 . . . . 0.0 110.406 178.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 49.4 t -65.32 -52.47 51.76 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.095 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.281 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 61.3 m-20 -84.99 110.33 18.83 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -70.36 87.73 0.63 Allowed 'General case' 0 CA--C 1.541 0.597 0 N-CA-C 109.454 -0.572 . . . . 0.0 109.454 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 36.5 pt -71.12 -19.86 21.26 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.008 0 CA-C-N 116.307 -0.406 . . . . 0.0 109.94 179.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 41.3 t -59.85 -14.27 14.41 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.382 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 74.4 mt-10 -68.11 -38.26 82.08 Favored 'General case' 0 CA--C 1.547 0.829 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.339 178.782 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 87.3 p -63.36 -51.35 66.27 Favored 'General case' 0 N--CA 1.483 1.195 0 CA-C-O 120.522 0.201 . . . . 0.0 111.419 -179.263 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 10.1 mp -62.26 -41.47 98.48 Favored 'General case' 0 N--CA 1.483 1.191 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 179.696 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.458 ' O ' ' N ' ' A' ' 13' ' ' GLY . 40.2 ttm180 -59.84 -52.49 65.21 Favored 'General case' 0 N--CA 1.477 0.876 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 179.829 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.431 ' HG2' HD13 ' A' ' 17' ' ' LEU . 60.8 tp60 54.51 -81.6 0.01 OUTLIER 'General case' 0 CA--C 1.554 1.126 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.967 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 11' ' ' ARG . . . 67.23 16.52 67.01 Favored Glycine 0 N--CA 1.474 1.195 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 178.833 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -85.47 -8.37 80.89 Favored Glycine 0 N--CA 1.473 1.14 0 N-CA-C 111.08 -0.808 . . . . 0.0 111.08 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 82.03 -67.53 3.66 Favored Glycine 0 N--CA 1.479 1.51 0 N-CA-C 111.161 -0.776 . . . . 0.0 111.161 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 57.3 mtpt -72.63 108.42 5.64 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 179.049 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.446 HD11 ' HB3' ' A' ' 22' ' ' LEU . 23.7 tp -148.93 130.69 15.07 Favored 'General case' 0 CA--C 1.532 0.257 0 N-CA-C 108.223 -1.028 . . . . 0.0 108.223 -179.805 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.464 ' ND2' ' CE1' ' A' ' 19' ' ' PHE . 6.5 p-10 -152.56 163.12 40.22 Favored 'General case' 0 N--CA 1.465 0.317 0 N-CA-C 107.742 -1.207 . . . . 0.0 107.742 179.288 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.464 ' CE1' ' ND2' ' A' ' 18' ' ' ASN . 28.6 p90 -32.14 -44.42 0.09 Allowed 'General case' 0 C--O 1.191 -2.019 0 O-C-N 124.544 1.153 . . . . 0.0 112.658 -178.634 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -72.68 -45.25 59.79 Favored 'General case' 0 N--CA 1.479 1.014 0 CA-C-N 118.302 0.501 . . . . 0.0 111.659 -178.537 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -63.15 -47.06 84.29 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-N 116.025 -0.534 . . . . 0.0 112.166 -176.096 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.446 ' HB3' HD11 ' A' ' 17' ' ' LEU . 1.7 pp -76.67 -46.84 24.11 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 112.834 0.679 . . . . 0.0 112.834 179.514 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.2 ttt180 -62.75 -53.03 60.63 Favored 'General case' 0 N--CA 1.487 1.403 0 CA-C-O 120.929 0.395 . . . . 0.0 111.746 -174.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 -58.16 -34.33 70.18 Favored 'General case' 0 CA--C 1.512 -0.496 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.955 -178.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -71.25 -47.89 54.36 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.341 0.591 . . . . 0.0 110.366 177.132 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 24.4 mt -62.12 -31.39 71.85 Favored 'General case' 0 N--CA 1.496 1.831 0 CA-C-N 114.38 -1.282 . . . . 0.0 111.821 -176.443 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 32.6 ttmt -55.45 -44.3 76.23 Favored 'General case' 0 CA--C 1.553 1.068 0 CA-C-O 121.355 0.597 . . . . 0.0 109.557 178.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -61.98 -35.62 91.67 Favored Glycine 0 CA--C 1.538 1.469 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.884 179.014 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -70.37 -0.28 7.89 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 123.02 0.528 . . . . 0.0 111.022 -178.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 71.68 19.53 78.01 Favored Glycine 0 N--CA 1.474 1.176 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.74 178.134 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -66.64 162.75 20.4 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-N 117.553 0.677 . . . . 0.0 109.771 178.827 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 54.1 p -96.18 160.31 14.5 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-N 115.593 -0.73 . . . . 0.0 109.505 -177.01 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -59.97 -40.57 89.55 Favored 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 110.383 -0.229 . . . . 0.0 110.383 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.09 -47.22 86.05 Favored 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.459 ' O ' HD13 ' A' ' 39' ' ' ILE . 72.5 mt-10 -68.36 -46.03 71.19 Favored 'General case' 0 N--CA 1.472 0.668 0 O-C-N 121.72 -0.613 . . . . 0.0 110.542 -177.833 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 85.5 mt -59.76 -50.59 79.48 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.799 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.682 -177.234 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -63.04 -42.55 99.76 Favored 'General case' 0 C--N 1.351 0.65 0 CA-C-O 121.93 0.871 . . . . 0.0 111.741 -177.349 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.1 -44.98 82.8 Favored 'General case' 0 CA--C 1.552 1.027 0 CA-C-N 115.289 -0.869 . . . . 0.0 111.307 -179.448 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.459 HD13 ' O ' ' A' ' 35' ' ' GLU . 1.2 mp -61.52 -46.88 95.65 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.551 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.521 -173.46 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -67.92 -41.58 82.4 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-O 121.655 0.74 . . . . 0.0 111.264 -179.541 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 15.4 m -59.35 -45.81 90.37 Favored 'General case' 0 C--O 1.238 0.486 0 CA-C-N 114.231 -1.35 . . . . 0.0 111.279 -175.384 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 60.3 mttp -68.66 -49.66 57.31 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.053 -179.13 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 -74.84 -32.47 61.94 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 120.075 -0.65 . . . . 0.0 111.796 -177.21 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -103.06 109.66 21.3 Favored 'General case' 0 N--CA 1.484 1.251 0 N-CA-C 107.099 -1.445 . . . . 0.0 107.099 177.61 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.446 ' N ' ' NE2' ' A' ' 45' ' ' GLN . 0.5 OUTLIER -62.54 -51.04 68.98 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-O 119.121 -0.466 . . . . 0.0 111.504 -175.937 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 27.0 t0 -106.43 -2.05 22.52 Favored 'General case' 0 N--CA 1.484 1.237 0 CA-C-N 118.564 0.62 . . . . 0.0 111.193 178.4 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 53.25 22.34 14.33 Favored Glycine 0 N--CA 1.477 1.368 0 C-N-CA 121.296 -0.478 . . . . 0.0 112.58 -179.148 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -118.06 -8.95 10.63 Favored 'General case' 0 N--CA 1.492 1.644 0 C-N-CA 123.705 0.802 . . . . 0.0 111.508 -178.689 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -124.76 163.14 22.76 Favored 'General case' 0 N--CA 1.483 1.192 0 CA-C-O 121.553 0.692 . . . . 0.0 110.242 -177.028 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -75.73 147.78 39.07 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 114.486 -1.234 . . . . 0.0 108.44 179.601 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.4 tp -90.77 119.8 31.28 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-O 121.732 0.777 . . . . 0.0 109.701 -177.507 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.2 t -80.71 -179.64 7.35 Favored 'General case' 0 CA--C 1.494 -1.191 0 CA-C-N 114.349 -1.296 . . . . 0.0 109.805 -177.409 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -70.01 -52.78 21.42 Favored 'General case' 0 N--CA 1.435 -1.216 0 CA-C-N 113.43 -1.713 . . . . 0.0 110.724 -177.429 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 93.0 m-70 -54.15 -50.62 66.54 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 120.398 -0.521 . . . . 0.0 110.452 -174.142 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 77.3 mt-10 -61.96 -40.44 95.58 Favored 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 177.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.414 ' CE1' ' O ' ' A' ' 11' ' ' ARG . 17.5 t60 -63.73 -48.78 75.69 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.297 179.578 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 10.2 mm-40 -53.17 -42.58 66.33 Favored 'General case' 0 N--CA 1.489 1.491 0 CA-C-N 118.004 0.365 . . . . 0.0 111.782 -178.667 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -62.97 -49.67 73.78 Favored 'General case' 0 N--CA 1.48 1.031 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 178.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.4 ' SD ' ' N ' ' A' ' 60' ' ' ARG . 0.7 OUTLIER -59.28 -42.94 92.43 Favored 'General case' 0 C--N 1.347 0.479 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 179.144 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.4 ' N ' ' SD ' ' A' ' 59' ' ' MET . 67.8 ttp85 -59.49 -48.4 81.81 Favored 'General case' 0 C--N 1.353 0.719 0 C-N-CA 120.44 -0.504 . . . . 0.0 110.01 -177.831 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 74.8 m-20 -61.05 -36.57 79.93 Favored 'General case' 0 CA--C 1.536 0.436 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 179.167 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 58.2 m-20 -68.97 -37.88 79.03 Favored 'General case' 0 C--N 1.345 0.401 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 179.759 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 50.5 tp -61.05 -50.39 73.51 Favored 'General case' 0 C--N 1.35 0.6 0 C-N-CA 121.05 -0.26 . . . . 0.0 110.366 -179.283 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 76.2 tt0 -57.31 -44.22 83.95 Favored 'General case' 0 CA--C 1.552 1.02 0 CA-C-O 120.947 0.404 . . . . 0.0 110.193 -179.616 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 28.4 mmtp -62.21 -45.41 93.49 Favored 'General case' 0 CA--C 1.551 0.981 0 CA-C-N 115.965 -0.562 . . . . 0.0 111.307 179.32 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 92.3 mt-10 -64.92 -43.41 92.9 Favored 'General case' 0 N--CA 1.479 0.984 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 178.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 57.1 mtp85 -53.78 -44.6 70.21 Favored 'General case' 0 N--CA 1.481 1.117 0 N-CA-C 110.657 -0.127 . . . . 0.0 110.657 179.413 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 78.0 tt0 -61.99 -65.46 0.69 Allowed 'General case' 0 N--CA 1.479 0.975 0 N-CA-C 109.859 -0.422 . . . . 0.0 109.859 179.4 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -52.06 -40.82 61.7 Favored 'General case' 0 N--CA 1.481 1.121 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.709 -179.413 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 58.8 tp -63.13 -40.34 97.32 Favored 'General case' 0 N--CA 1.48 1.03 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.57 179.363 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -57.6 -51.76 68.2 Favored 'General case' 0 N--CA 1.482 1.172 0 CA-C-O 120.902 0.382 . . . . 0.0 110.758 -178.079 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 10.6 mp -65.36 -43.55 90.48 Favored 'General case' 0 CA--C 1.551 1.0 0 CA-C-N 115.802 -0.635 . . . . 0.0 109.861 179.072 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 65.1 m-20 -77.63 84.16 3.99 Favored 'General case' 0 N--CA 1.479 0.99 0 N-CA-C 109.3 -0.629 . . . . 0.0 109.3 179.765 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 72.6 m80 -62.37 -47.15 85.42 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.711 -179.707 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 94.6 p -70.04 147.96 49.42 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 115.54 -0.755 . . . . 0.0 109.408 178.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 45.9 t -62.22 -41.89 98.81 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.244 179.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.59 149.92 81.54 Favored Pre-proline 0 CA--C 1.557 1.222 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.032 -179.155 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_endo . . . . . 0 N--CA 1.513 2.619 0 C-N-CA 121.719 1.613 . . . . 0.0 110.659 178.114 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 4.6 p30 . . . . . 0 N--CA 1.493 1.722 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 21.6 m -63.76 -51.44 64.85 Favored 'General case' 0 N--CA 1.477 0.897 0 CA-C-O 120.816 0.341 . . . . 0.0 111.094 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 35.5 m -64.86 -37.68 80.81 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.218 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -167.63 156.4 9.61 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.895 179.549 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 -73.31 93.32 1.89 Allowed 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.519 179.202 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 16.6 tt -64.64 -27.57 42.84 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 CA-C-O 121.332 0.587 . . . . 0.0 109.828 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 53.3 m -55.19 -22.92 19.3 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.104 -179.648 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 74.4 mt-10 -73.96 -42.46 60.48 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 122.233 0.213 . . . . 0.0 110.713 178.353 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 95.7 p -61.3 -47.97 83.52 Favored 'General case' 0 N--CA 1.482 1.147 0 CA-C-O 120.67 0.272 . . . . 0.0 110.809 -179.234 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 59.8 mt -61.75 -43.89 97.96 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.31 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.475 ' O ' ' N ' ' A' ' 13' ' ' GLY . 78.5 mtp180 -66.39 -53.69 32.96 Favored 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 110.202 -0.296 . . . . 0.0 110.202 179.62 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 67.4 tp60 56.79 -74.56 0.02 OUTLIER 'General case' 0 CA--C 1.546 0.823 0 O-C-N 124.087 0.867 . . . . 0.0 110.73 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 11' ' ' ARG . . . 79.3 16.62 77.94 Favored Glycine 0 C--N 1.341 0.861 0 N-CA-C 110.701 -0.96 . . . . 0.0 110.701 179.505 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -77.32 -19.3 76.9 Favored Glycine 0 N--CA 1.471 1.001 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 179.766 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 96.23 -30.49 8.57 Favored Glycine 0 N--CA 1.483 1.817 0 N-CA-C 111.289 -0.725 . . . . 0.0 111.289 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 45.5 mtmt -120.08 127.77 52.86 Favored 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 123.314 0.646 . . . . 0.0 109.589 179.324 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.5 mt -138.49 110.83 7.42 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 -178.183 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -129.66 139.14 51.46 Favored 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 107.634 -1.247 . . . . 0.0 107.634 179.374 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 40.3 p90 -31.17 -33.88 0.01 OUTLIER 'General case' 0 C--O 1.197 -1.68 0 O-C-N 124.651 1.22 . . . . 0.0 113.018 -178.381 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -74.11 -45.87 46.32 Favored 'General case' 0 N--CA 1.478 0.926 0 CA-C-O 121.349 0.595 . . . . 0.0 112.509 -178.622 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.71 -45.9 92.44 Favored 'General case' 0 N--CA 1.484 1.228 0 CA-C-O 121.871 0.844 . . . . 0.0 111.523 -175.031 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.487 HD12 ' N ' ' A' ' 23' ' ' ARG . 2.7 pp -75.92 -47.23 26.09 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 113.681 -1.599 . . . . 0.0 111.75 -179.711 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.487 ' N ' HD12 ' A' ' 22' ' ' LEU . 5.1 ttt180 -59.39 -51.01 71.74 Favored 'General case' 0 N--CA 1.477 0.904 0 CA-C-O 120.959 0.409 . . . . 0.0 110.97 -177.618 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -58.37 -34.68 70.96 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.878 -179.713 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -70.96 -47.93 56.21 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-O 120.951 0.405 . . . . 0.0 110.367 177.188 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 41.4 mt -61.93 -31.45 71.77 Favored 'General case' 0 N--CA 1.501 2.121 0 CA-C-N 114.602 -1.181 . . . . 0.0 112.028 -176.622 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 34.4 ttpt -55.87 -44.89 78.51 Favored 'General case' 0 CA--C 1.554 1.123 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 178.561 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -61.81 -34.36 88.46 Favored Glycine 0 CA--C 1.535 1.331 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.914 179.239 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -70.6 2.31 4.2 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 122.918 0.487 . . . . 0.0 111.3 -179.114 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 71.46 19.86 77.96 Favored Glycine 0 N--CA 1.475 1.26 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 177.658 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -67.58 162.99 22.23 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 117.637 0.719 . . . . 0.0 110.216 179.202 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 72.3 p -94.04 159.5 15.13 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 115.282 -0.872 . . . . 0.0 109.639 -177.156 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 -60.57 -41.57 94.89 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.275 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.58 -46.87 87.67 Favored 'General case' 0 N--CA 1.476 0.862 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 -179.643 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.437 ' O ' HD13 ' A' ' 39' ' ' ILE . 72.2 mm-40 -68.26 -48.02 66.15 Favored 'General case' 0 N--CA 1.474 0.744 0 O-C-N 121.55 -0.719 . . . . 0.0 110.448 -178.166 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 82.7 mt -56.85 -50.44 75.22 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.867 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.737 -177.154 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -62.77 -42.07 99.52 Favored 'General case' 0 C--N 1.352 0.677 0 CA-C-O 121.55 0.691 . . . . 0.0 111.044 -177.547 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.4 -45.74 89.63 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 115.432 -0.804 . . . . 0.0 111.786 -178.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.437 HD13 ' O ' ' A' ' 35' ' ' GLU . 1.4 mp -61.69 -46.83 95.7 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.881 0 N-CA-C 112.016 0.376 . . . . 0.0 112.016 -175.195 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.406 ' CB ' HD11 ' A' ' 22' ' ' LEU . 0.6 OUTLIER -67.66 -41.05 84.37 Favored 'General case' 0 C--O 1.21 -1.003 0 CA-C-O 121.881 0.848 . . . . 0.0 109.773 -179.685 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 32.2 m -59.46 -46.45 88.74 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 114.93 -1.032 . . . . 0.0 111.287 -177.139 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -70.0 -48.38 58.38 Favored 'General case' 0 N--CA 1.44 -0.974 0 C-N-CA 120.526 -0.469 . . . . 0.0 109.979 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.467 ' OH ' HD23 ' A' ' 63' ' ' LEU . 13.0 m-85 -70.77 -30.17 66.59 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 120.527 -0.469 . . . . 0.0 110.915 -176.105 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -114.98 108.33 16.56 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 108.134 -1.062 . . . . 0.0 108.134 179.539 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 18.4 mm-40 -60.62 -50.85 71.85 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-O 118.932 -0.556 . . . . 0.0 111.943 -177.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 38.3 t0 -106.31 -2.15 22.61 Favored 'General case' 0 C--N 1.365 1.267 0 CA-C-N 118.835 0.743 . . . . 0.0 111.09 178.672 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 51.52 22.01 7.35 Favored Glycine 0 N--CA 1.48 1.592 0 CA-C-O 119.753 -0.471 . . . . 0.0 112.49 -179.177 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 48.3 m-20 -117.59 -13.44 10.26 Favored 'General case' 0 N--CA 1.491 1.62 0 C-N-CA 123.506 0.723 . . . . 0.0 111.763 -178.427 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.1 pp0? -123.82 158.63 31.36 Favored 'General case' 0 N--CA 1.493 1.705 0 C-N-CA 123.291 0.636 . . . . 0.0 110.956 -178.002 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -76.19 148.36 37.78 Favored 'General case' 0 C--N 1.349 0.564 0 C-N-CA 124.483 1.113 . . . . 0.0 109.567 179.056 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 19.4 mt -91.07 117.69 29.8 Favored 'General case' 0 N--CA 1.481 1.12 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.725 -177.076 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 4.7 t -80.22 -177.85 6.3 Favored 'General case' 0 CA--C 1.489 -1.377 0 N-CA-C 108.466 -0.939 . . . . 0.0 108.466 -177.103 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 72.4 mt-10 -61.52 -60.31 3.89 Favored 'General case' 0 C--N 1.311 -1.088 0 CA-C-N 114.804 -1.089 . . . . 0.0 110.894 -178.209 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 81.8 t60 -54.59 -50.81 67.12 Favored 'General case' 0 N--CA 1.485 1.303 0 C-N-CA 120.15 -0.62 . . . . 0.0 109.937 -174.684 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -59.95 -50.42 73.83 Favored 'General case' 0 C--O 1.215 -0.713 0 CA-C-N 118.327 0.512 . . . . 0.0 109.896 178.585 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 54.2 t-80 -59.59 -52.14 66.81 Favored 'General case' 0 CA--C 1.549 0.909 0 N-CA-C 112.044 0.387 . . . . 0.0 112.044 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.417 HE21 ' H ' ' A' ' 57' ' ' GLN . 0.5 OUTLIER -62.82 -34.27 76.96 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 118.007 0.367 . . . . 0.0 111.161 -179.277 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 56.5 mm-40 -63.38 -54.58 34.63 Favored 'General case' 0 N--CA 1.482 1.154 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 179.682 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 34.0 mmt -61.86 -36.95 82.76 Favored 'General case' 0 C--N 1.353 0.748 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 57.1 ttp180 -60.43 -49.42 77.63 Favored 'General case' 0 CA--C 1.552 1.043 0 C-N-CA 118.972 -1.091 . . . . 0.0 110.17 -179.316 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -60.74 -40.59 92.97 Favored 'General case' 0 N--CA 1.475 0.825 0 CA-C-O 121.289 0.566 . . . . 0.0 110.422 -179.122 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 65.2 m-20 -61.03 -40.06 92.16 Favored 'General case' 0 C--O 1.218 -0.579 0 CA-C-N 115.058 -0.974 . . . . 0.0 108.711 178.36 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.467 HD23 ' OH ' ' A' ' 43' ' ' TYR . 0.2 OUTLIER -61.61 -49.29 77.19 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.916 -178.728 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 78.9 tt0 -57.0 -45.42 83.01 Favored 'General case' 0 CA--C 1.551 0.997 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -57.65 -45.16 85.84 Favored 'General case' 0 N--CA 1.48 1.043 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.793 179.302 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -71.66 -35.0 70.2 Favored 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 178.554 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 33.7 ttm180 -53.17 -43.17 66.87 Favored 'General case' 0 C--N 1.357 0.932 0 C-N-CA 122.614 0.365 . . . . 0.0 111.04 -178.794 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -59.63 -65.82 0.61 Allowed 'General case' 0 N--CA 1.481 1.1 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 179.743 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -52.36 -37.91 57.4 Favored 'General case' 0 N--CA 1.479 0.992 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.519 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 61.1 tp -61.27 -42.56 98.85 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.706 -179.176 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 68.9 m-20 -60.05 -50.71 72.66 Favored 'General case' 0 N--CA 1.48 1.064 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.101 -178.496 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 10.6 mp -65.46 -42.11 92.66 Favored 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 179.248 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -68.68 90.56 0.41 Allowed 'General case' 0 N--CA 1.477 0.911 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -71.39 -17.79 62.39 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.474 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 68.7 p 50.95 21.88 1.07 Allowed 'General case' 0 N--CA 1.472 0.647 0 CA-C-O 121.172 0.511 . . . . 0.0 110.967 -179.485 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 94.0 p -68.62 -7.43 32.91 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 115.225 -0.898 . . . . 0.0 110.3 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 11.0 mp -65.56 151.72 93.94 Favored Pre-proline 0 CA--C 1.561 1.392 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.309 -178.136 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_endo . . . . . 0 N--CA 1.505 2.202 0 C-N-CA 122.218 1.946 . . . . 0.0 110.395 179.086 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 79.8 m-20 . . . . . 0 N--CA 1.492 1.641 0 N-CA-C 109.103 -0.702 . . . . 0.0 109.103 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 20.1 m -61.71 -46.21 90.67 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-O 120.677 0.275 . . . . 0.0 110.584 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 49.9 t -62.02 -46.5 96.35 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 CA-C-N 116.125 -0.489 . . . . 0.0 109.698 -179.619 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -72.81 81.75 1.16 Allowed 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 15.9 p-10 -73.45 109.16 6.75 Favored 'General case' 0 CA--C 1.54 0.586 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 179.452 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 41.1 pt -67.96 -21.81 27.32 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.491 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 58.8 m -63.47 -6.08 4.54 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.669 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 78.2 tt0 -68.36 -40.97 81.32 Favored 'General case' 0 N--CA 1.471 0.602 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 179.372 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 62.5 m -61.67 -43.01 99.66 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.999 -179.583 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.42 ' N ' HD12 ' A' ' 10' ' ' LEU . 9.0 mp -62.84 -43.54 98.52 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 116.167 -0.47 . . . . 0.0 109.992 -179.163 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.498 ' O ' ' N ' ' A' ' 13' ' ' GLY . 37.7 ttm180 -71.32 -54.77 9.68 Favored 'General case' 0 C--N 1.349 0.565 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 -178.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 54.59 -76.95 0.01 OUTLIER 'General case' 0 CA--C 1.551 0.986 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.873 -179.496 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.498 ' N ' ' O ' ' A' ' 11' ' ' ARG . . . 78.5 16.61 79.12 Favored Glycine 0 C--N 1.342 0.865 0 N-CA-C 110.644 -0.982 . . . . 0.0 110.644 179.657 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -79.27 -7.7 88.29 Favored Glycine 0 N--CA 1.469 0.866 0 N-CA-C 111.125 -0.79 . . . . 0.0 111.125 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 82.03 -70.42 3.14 Favored Glycine 0 N--CA 1.475 1.282 0 N-CA-C 110.694 -0.962 . . . . 0.0 110.694 -179.666 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 41.6 mtmt -73.58 110.94 8.26 Favored 'General case' 0 N--CA 1.465 0.281 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 179.528 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.8 tp -147.39 129.4 15.43 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 -178.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.426 ' O ' ' N ' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -139.13 151.07 46.36 Favored 'General case' 0 N--CA 1.476 0.855 0 N-CA-C 107.882 -1.155 . . . . 0.0 107.882 -179.834 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 38.4 p90 -31.09 -35.18 0.01 OUTLIER 'General case' 0 N--CA 1.479 1.005 0 O-C-N 124.452 1.095 . . . . 0.0 112.07 -179.089 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -73.98 -45.51 49.59 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 112.41 0.522 . . . . 0.0 112.41 179.331 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.426 ' N ' ' O ' ' A' ' 18' ' ' ASN . 38.4 mt-10 -60.43 -45.05 95.05 Favored 'General case' 0 N--CA 1.481 1.12 0 CA-C-O 121.241 0.543 . . . . 0.0 112.35 -176.358 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.4 HD12 ' N ' ' A' ' 23' ' ' ARG . 1.6 pp -75.31 -47.14 29.17 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.324 -0.853 . . . . 0.0 111.165 178.617 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.4 ' N ' HD12 ' A' ' 22' ' ' LEU . 51.6 ttp180 -59.22 -51.72 68.79 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-O 120.992 0.425 . . . . 0.0 112.001 -176.729 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 54.1 mm-40 -56.71 -35.82 68.95 Favored 'General case' 0 C--N 1.313 -0.989 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.311 -177.236 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -71.69 -48.34 48.06 Favored 'General case' 0 N--CA 1.445 -0.7 0 CA-C-O 121.485 0.66 . . . . 0.0 110.408 175.208 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 23.3 mt -64.15 -33.17 75.18 Favored 'General case' 0 N--CA 1.492 1.639 0 CA-C-N 114.748 -1.114 . . . . 0.0 111.67 -176.269 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.4 ttmm -54.66 -45.93 73.94 Favored 'General case' 0 CA--C 1.551 0.997 0 CA-C-O 121.63 0.729 . . . . 0.0 109.549 178.468 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -61.11 -35.78 91.34 Favored Glycine 0 CA--C 1.535 1.303 0 CA-C-N 115.109 -0.95 . . . . 0.0 111.489 178.705 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -70.0 -1.17 8.97 Favored 'General case' 0 N--CA 1.482 1.174 0 CA-C-O 121.041 0.448 . . . . 0.0 111.071 -179.37 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 72.17 19.58 78.65 Favored Glycine 0 N--CA 1.464 0.524 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.706 177.56 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -66.33 162.84 19.38 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 117.826 0.813 . . . . 0.0 109.407 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 46.1 p -94.58 161.09 14.35 Favored 'General case' 0 CA--C 1.506 -0.723 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.642 -176.425 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 14.8 p-10 -60.56 -40.37 91.4 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.261 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.76 -47.39 85.89 Favored 'General case' 0 C--N 1.352 0.694 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.479 ' O ' HD13 ' A' ' 39' ' ' ILE . 95.5 mt-10 -68.64 -44.58 73.88 Favored 'General case' 0 N--CA 1.471 0.611 0 O-C-N 121.525 -0.734 . . . . 0.0 110.488 -177.449 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 83.3 mt -60.88 -50.64 79.72 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.632 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.818 -177.692 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -61.59 -41.54 97.58 Favored 'General case' 0 C--N 1.354 0.767 0 CA-C-O 121.737 0.78 . . . . 0.0 111.306 -176.131 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.56 -44.97 80.87 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.02 -0.991 . . . . 0.0 110.987 -179.355 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.479 HD13 ' O ' ' A' ' 35' ' ' GLU . 1.2 mp -61.59 -47.96 90.96 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.085 0 C-N-CA 120.561 -0.456 . . . . 0.0 111.841 -173.87 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -67.56 -42.78 82.07 Favored 'General case' 0 CA--C 1.506 -0.73 0 CA-C-O 121.702 0.763 . . . . 0.0 110.51 -178.614 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 14.6 m -58.37 -45.32 88.49 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 113.792 -1.549 . . . . 0.0 111.287 -176.073 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 60.5 tttp -68.2 -49.74 58.79 Favored 'General case' 0 N--CA 1.441 -0.894 0 C-N-CA 120.037 -0.665 . . . . 0.0 110.766 -177.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.42 ' O ' HD13 ' A' ' 51' ' ' LEU . 9.7 m-85 -74.63 -32.42 62.3 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 120.112 -0.635 . . . . 0.0 111.509 -177.018 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -103.89 110.03 22.01 Favored 'General case' 0 N--CA 1.479 1.002 0 N-CA-C 106.749 -1.574 . . . . 0.0 106.749 178.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 15.6 mm-40 -63.83 -50.54 68.48 Favored 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 112.302 0.482 . . . . 0.0 112.302 -176.009 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 63.6 m-20 -106.19 -2.07 22.9 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-N 118.791 0.723 . . . . 0.0 110.918 178.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 50.64 21.75 5.05 Favored Glycine 0 N--CA 1.476 1.344 0 C-N-CA 121.711 -0.28 . . . . 0.0 112.921 -178.212 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -117.62 -8.7 10.89 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 123.475 0.71 . . . . 0.0 111.828 -179.05 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -127.25 165.26 19.98 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 123.156 0.582 . . . . 0.0 110.177 -177.811 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 86.7 mt-10 -75.65 147.82 39.2 Favored 'General case' 0 N--CA 1.448 -0.553 0 C-N-CA 123.99 0.916 . . . . 0.0 108.877 179.483 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.42 HD13 ' O ' ' A' ' 43' ' ' TYR . 42.6 tp -90.64 121.8 32.87 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-O 121.394 0.616 . . . . 0.0 109.937 -177.788 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.3 t -80.3 178.67 8.13 Favored 'General case' 0 CA--C 1.49 -1.337 0 CA-C-N 114.84 -1.073 . . . . 0.0 109.032 -177.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.508 ' O ' ' NE2' ' A' ' 57' ' ' GLN . 14.9 pt-20 -76.72 -49.77 15.22 Favored 'General case' 0 N--CA 1.431 -1.377 0 CA-C-N 113.079 -1.873 . . . . 0.0 110.532 -177.301 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 85.8 t60 -53.93 -50.9 65.41 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 119.884 -0.727 . . . . 0.0 109.866 -174.58 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 91.4 mt-10 -61.38 -46.44 90.16 Favored 'General case' 0 C--O 1.219 -0.533 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 177.576 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 23.9 t-80 -56.76 -50.13 73.19 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 121.014 -0.274 . . . . 0.0 111.251 -179.639 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.508 ' NE2' ' O ' ' A' ' 53' ' ' GLU . 1.2 mp0 -53.12 -41.09 64.7 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 120.7 -0.4 . . . . 0.0 111.223 -179.375 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 83.3 mt-30 -63.57 -53.74 46.96 Favored 'General case' 0 N--CA 1.48 1.028 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 179.644 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 36.4 mmt -60.16 -36.73 78.21 Favored 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 122.822 0.449 . . . . 0.0 110.222 179.559 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 69.2 ttp85 -59.66 -48.83 80.13 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 120.046 -0.662 . . . . 0.0 109.695 -178.41 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 74.7 m-20 -60.58 -36.62 78.98 Favored 'General case' 0 C--N 1.346 0.456 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 59.7 m-20 -67.69 -37.59 82.5 Favored 'General case' 0 C--N 1.342 0.26 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 179.186 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.5 tt -59.99 -50.11 75.02 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.674 -179.074 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 71.4 mt-10 -57.22 -44.1 83.44 Favored 'General case' 0 CA--C 1.55 0.971 0 N-CA-C 110.098 -0.334 . . . . 0.0 110.098 178.796 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -62.35 -46.26 89.46 Favored 'General case' 0 N--CA 1.478 0.972 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.854 179.386 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 69.6 mt-10 -65.69 -37.41 86.37 Favored 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 110.102 -0.333 . . . . 0.0 110.102 179.291 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 32.0 ttm180 -49.5 -26.28 3.29 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-O 120.753 0.311 . . . . 0.0 111.328 -179.419 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 70.0 mm-40 -73.68 -64.23 1.04 Allowed 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 109.457 -0.572 . . . . 0.0 109.457 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 60.9 m-20 -62.52 -17.12 59.12 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.516 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 56.9 tp -64.16 -41.56 97.11 Favored 'General case' 0 N--CA 1.478 0.934 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.163 179.611 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 66.3 m-20 -61.56 -36.75 81.51 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.242 -178.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -71.81 85.71 0.94 Allowed 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.622 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 -76.99 106.38 8.64 Favored 'General case' 0 CA--C 1.535 0.385 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 178.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 25.4 p-80 -69.73 -18.68 63.53 Favored 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 87.3 p -79.47 -5.51 54.92 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.444 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 47.2 t -61.02 -41.98 97.59 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-O 120.617 0.246 . . . . 0.0 111.15 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.15 151.53 63.34 Favored Pre-proline 0 CA--C 1.555 1.156 0 CA-C-O 118.693 -0.67 . . . . 0.0 109.748 -179.571 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_exo . . . . . 0 N--CA 1.516 2.848 0 C-N-CA 122.568 2.179 . . . . 0.0 113.121 177.297 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 74.9 m-20 . . . . . 0 N--CA 1.491 1.582 0 N-CA-C 109.168 -0.679 . . . . 0.0 109.168 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.9 t -62.39 -10.5 11.58 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.826 179.55 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 14.5 p -61.01 -34.18 58.86 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 CA-C-O 121.001 0.429 . . . . 0.0 110.41 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 66.4 m-20 -63.95 155.81 29.77 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 115.551 -0.749 . . . . 0.0 109.783 179.733 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 15.2 p-10 -164.74 33.17 0.07 Allowed 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 -178.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 61.5 mt -65.9 -42.5 92.11 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 179.755 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 69.3 m -60.11 -4.19 0.74 Allowed 'General case' 0 N--CA 1.472 0.665 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.541 -179.635 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 76.9 tt0 -71.32 -43.62 66.7 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 110.195 -0.298 . . . . 0.0 110.195 178.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 95.1 p -63.79 -47.44 80.91 Favored 'General case' 0 N--CA 1.48 1.046 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.059 -179.08 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 29.1 mt -61.58 -42.94 99.58 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.799 -179.435 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.486 ' O ' ' N ' ' A' ' 13' ' ' GLY . 70.7 ttt-85 -63.81 -53.86 44.17 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 115.894 -0.593 . . . . 0.0 109.827 -179.768 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.547 HE22 HD21 ' A' ' 17' ' ' LEU . 48.2 tt0 58.42 -71.73 0.02 OUTLIER 'General case' 0 CA--C 1.546 0.807 0 O-C-N 124.386 1.054 . . . . 0.0 110.57 -179.675 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.486 ' N ' ' O ' ' A' ' 11' ' ' ARG . . . 101.37 -7.3 56.24 Favored Glycine 0 N--CA 1.476 1.32 0 N-CA-C 110.765 -0.934 . . . . 0.0 110.765 179.479 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.9 -50.65 57.11 Favored Glycine 0 CA--C 1.53 0.969 0 N-CA-C 110.654 -0.978 . . . . 0.0 110.654 179.15 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 107.8 -71.55 0.21 Allowed Glycine 0 N--CA 1.483 1.81 0 N-CA-C 110.418 -1.073 . . . . 0.0 110.418 -179.435 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.8 mtpm? -65.78 126.78 29.54 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 179.743 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.547 HD21 HE22 ' A' ' 12' ' ' GLN . 7.4 mt -154.1 133.72 12.87 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 -179.176 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.41 ' O ' ' N ' ' A' ' 21' ' ' GLU . 9.6 t30 -123.27 139.88 53.59 Favored 'General case' 0 C--N 1.332 -0.176 0 N-CA-C 107.299 -1.371 . . . . 0.0 107.299 178.426 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 54.4 p90 -31.01 -37.82 0.02 OUTLIER 'General case' 0 C--O 1.205 -1.289 0 C-N-CA 123.942 0.897 . . . . 0.0 112.566 -177.449 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.408 ' H ' ' ND2' ' A' ' 18' ' ' ASN . 29.9 t70 -72.59 -45.2 60.27 Favored 'General case' 0 N--CA 1.479 1.017 0 CA-C-O 121.143 0.497 . . . . 0.0 112.033 179.193 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.41 ' N ' ' O ' ' A' ' 18' ' ' ASN . 63.7 mm-40 -60.09 -47.85 84.16 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 112.702 0.63 . . . . 0.0 112.702 -177.439 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.518 ' HB3' HD22 ' A' ' 17' ' ' LEU . 1.8 pp -75.58 -47.01 28.55 Favored 'General case' 0 C--N 1.313 -0.989 0 CA-C-N 115.686 -0.688 . . . . 0.0 112.153 178.445 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.415 ' N ' HD12 ' A' ' 22' ' ' LEU . 7.2 ttt85 -60.63 -52.49 64.91 Favored 'General case' 0 N--CA 1.485 1.311 0 CA-C-O 121.448 0.642 . . . . 0.0 112.292 -175.6 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 64.8 mm-40 -60.0 -34.17 72.97 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 115.084 -0.962 . . . . 0.0 111.93 -177.481 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 -71.69 -48.0 50.31 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.828 176.109 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 26.3 mt -62.14 -31.39 71.87 Favored 'General case' 0 N--CA 1.494 1.735 0 CA-C-N 115.249 -0.887 . . . . 0.0 111.541 -177.611 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.1 ttmm -54.89 -45.5 74.69 Favored 'General case' 0 CA--C 1.557 1.225 0 CA-C-O 121.101 0.477 . . . . 0.0 109.796 178.732 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -62.06 -34.07 87.79 Favored Glycine 0 CA--C 1.534 1.224 0 CA-C-N 115.505 -0.77 . . . . 0.0 111.911 179.482 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -70.63 2.8 3.66 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 123.025 0.53 . . . . 0.0 111.279 -178.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 71.3 19.89 77.8 Favored Glycine 0 N--CA 1.468 0.79 0 N-CA-C 111.288 -0.725 . . . . 0.0 111.288 177.222 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -67.9 162.51 24.05 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 117.465 0.632 . . . . 0.0 109.828 179.567 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 70.4 p -92.23 158.84 15.92 Favored 'General case' 0 C--O 1.217 -0.645 0 CA-C-N 115.694 -0.684 . . . . 0.0 109.725 -177.013 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 -61.93 -43.35 99.03 Favored 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 110.201 -0.296 . . . . 0.0 110.201 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.18 -46.65 87.84 Favored 'General case' 0 N--CA 1.47 0.572 0 O-C-N 123.429 0.456 . . . . 0.0 110.057 -179.521 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 67.5 mm-40 -67.71 -47.1 70.33 Favored 'General case' 0 N--CA 1.471 0.593 0 O-C-N 121.524 -0.735 . . . . 0.0 110.426 -178.259 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 81.4 mt -58.51 -50.3 79.33 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.82 0 CA-C-N 115.582 -0.735 . . . . 0.0 111.148 -177.469 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -64.2 -40.52 96.24 Favored 'General case' 0 C--N 1.35 0.587 0 CA-C-O 121.948 0.88 . . . . 0.0 111.454 -177.407 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.58 -44.76 81.35 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 115.024 -0.989 . . . . 0.0 110.759 -179.181 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.2 mp -61.43 -46.74 95.97 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.993 0 N-CA-C 112.303 0.483 . . . . 0.0 112.303 -173.308 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -68.27 -40.78 81.79 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.896 0.855 . . . . 0.0 110.825 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 15.8 m -59.11 -44.79 92.0 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 114.464 -1.243 . . . . 0.0 111.158 -175.712 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -67.94 -49.56 61.07 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.012 -179.212 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.428 ' CG ' ' SD ' ' A' ' 59' ' ' MET . 14.7 m-85 -73.87 -31.5 63.19 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 120.377 -0.529 . . . . 0.0 111.275 -177.643 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -106.61 104.56 14.27 Favored 'General case' 0 N--CA 1.48 1.049 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 178.234 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 20.6 mm-40 -60.49 -50.32 74.04 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 116.07 -0.514 . . . . 0.0 112.06 -176.223 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 64.1 m-20 -104.8 -1.53 25.99 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-N 118.369 0.531 . . . . 0.0 111.208 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 54.29 20.98 17.74 Favored Glycine 0 N--CA 1.477 1.411 0 CA-C-O 119.985 -0.342 . . . . 0.0 112.306 -178.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -118.79 -11.5 9.77 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 123.585 0.754 . . . . 0.0 111.853 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.5 pp0? -117.73 152.33 35.49 Favored 'General case' 0 N--CA 1.481 1.119 0 CA-C-O 121.618 0.723 . . . . 0.0 111.324 -177.292 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 70.3 mt-10 -76.65 148.48 36.87 Favored 'General case' 0 C--O 1.235 0.311 0 C-N-CA 124.866 1.266 . . . . 0.0 108.599 178.548 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 84.7 mt -90.33 117.56 29.14 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-O 121.711 0.767 . . . . 0.0 109.683 -176.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.0 t -80.0 -178.17 6.36 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-N 114.65 -1.159 . . . . 0.0 108.824 -176.633 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 71.2 mt-10 -63.97 -58.74 5.82 Favored 'General case' 0 C--N 1.311 -1.069 0 CA-C-N 114.262 -1.335 . . . . 0.0 110.581 -178.065 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -54.12 -50.07 67.74 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 119.975 -0.69 . . . . 0.0 109.882 -174.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 41.3 tp10 -60.28 -48.5 81.46 Favored 'General case' 0 CA--C 1.535 0.377 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 178.658 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -61.93 -50.37 72.43 Favored 'General case' 0 CA--C 1.546 0.819 0 O-C-N 123.552 0.532 . . . . 0.0 111.72 -179.365 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -63.26 -34.44 77.68 Favored 'General case' 0 CA--C 1.547 0.858 0 O-C-N 121.505 -0.747 . . . . 0.0 111.267 -179.069 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 62.7 mt-30 -62.02 -55.18 31.86 Favored 'General case' 0 N--CA 1.484 1.241 0 N-CA-C 110.035 -0.358 . . . . 0.0 110.035 -179.739 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.428 ' SD ' ' CG ' ' A' ' 43' ' ' TYR . 14.1 ptm -62.11 -34.48 76.41 Favored 'General case' 0 C--N 1.343 0.312 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 179.164 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 58.2 ttp180 -59.33 -48.41 81.72 Favored 'General case' 0 C--N 1.365 1.271 0 C-N-CA 119.8 -0.76 . . . . 0.0 109.494 -175.489 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 75.7 m-20 -60.16 -36.05 76.7 Favored 'General case' 0 C--O 1.222 -0.359 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 178.705 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -69.63 -38.11 77.07 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 179.722 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 6.2 tp -62.75 -50.46 70.99 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.142 -178.752 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 74.2 mt-10 -57.68 -45.65 85.33 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-O 121.454 0.645 . . . . 0.0 109.967 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 56.0 mtpt -56.58 -38.4 71.95 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.201 179.668 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.63 -43.83 85.13 Favored 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 109.465 -0.569 . . . . 0.0 109.465 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 80.8 mtm180 -57.26 -54.58 45.16 Favored 'General case' 0 N--CA 1.479 0.976 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.791 -176.423 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -67.92 -30.61 69.97 Favored 'General case' 0 N--CA 1.48 1.065 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.294 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -69.9 -47.75 61.3 Favored 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 108.96 -0.756 . . . . 0.0 108.96 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 6.5 tp -57.17 -45.06 83.99 Favored 'General case' 0 N--CA 1.482 1.169 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.344 -177.344 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 65.9 m-20 -58.11 -58.72 7.21 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.73 179.189 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 59.0 tp -56.44 -46.98 80.03 Favored 'General case' 0 N--CA 1.477 0.905 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.053 -179.078 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 76.4 m-20 -74.18 84.22 1.85 Allowed 'General case' 0 N--CA 1.466 0.362 0 N-CA-C 109.06 -0.718 . . . . 0.0 109.06 179.814 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 83.7 t60 -65.45 -45.67 82.89 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-O 121.137 0.494 . . . . 0.0 109.857 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 45.9 t -166.9 171.39 11.3 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.725 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 49.2 m -162.02 12.02 0.08 Allowed 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.572 -179.749 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 11.0 mp -63.31 150.66 88.91 Favored Pre-proline 0 CA--C 1.559 1.303 0 CA-C-O 119.574 -0.251 . . . . 0.0 110.513 -178.086 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_endo . . . . . 0 N--CA 1.506 2.257 0 C-N-CA 122.103 1.869 . . . . 0.0 110.431 179.296 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 22.0 p30 . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 71.6 p -63.76 -34.02 76.96 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.287 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 22.5 t -66.48 84.76 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 179.706 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 49.7 p-10 -144.75 172.27 13.24 Favored 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 -179.748 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 16.8 p-10 -66.23 123.09 18.99 Favored 'General case' 0 CA--C 1.544 0.738 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.073 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 33.4 pt -132.65 -28.26 0.63 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.27 0 C-N-CA 123.48 0.712 . . . . 0.0 110.091 -179.745 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 59.1 m -64.62 -21.21 66.66 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-O 120.903 0.383 . . . . 0.0 110.479 179.724 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -68.52 -35.12 77.04 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.3 179.524 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 47.4 m -60.33 -48.44 81.72 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-O 120.623 0.249 . . . . 0.0 110.661 -179.48 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 33.3 mt -62.54 -43.38 98.95 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.974 179.487 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.434 ' O ' ' N ' ' A' ' 13' ' ' GLY . 57.9 ttm-85 -63.71 -52.87 58.63 Favored 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 -179.729 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 59.5 tp60 61.89 -70.76 0.05 OUTLIER 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 115.106 -0.952 . . . . 0.0 110.195 -179.704 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 11' ' ' ARG . . . 69.81 -1.56 15.67 Favored Glycine 0 N--CA 1.469 0.877 0 N-CA-C 110.712 -0.955 . . . . 0.0 110.712 179.563 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.67 -34.4 89.8 Favored Glycine 0 C--N 1.339 0.717 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 179.671 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 99.56 -73.79 0.49 Allowed Glycine 0 N--CA 1.472 1.07 0 N-CA-C 110.288 -1.125 . . . . 0.0 110.288 -179.542 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 45.5 mmtm -80.85 125.47 30.14 Favored 'General case' 0 N--CA 1.477 0.894 0 CA-C-O 121.093 0.473 . . . . 0.0 110.539 179.764 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.5 pp -161.33 150.1 16.05 Favored 'General case' 0 N--CA 1.437 -1.125 0 CA-C-N 115.24 -0.891 . . . . 0.0 109.384 179.433 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.447 ' ND2' ' N ' ' A' ' 18' ' ' ASN . 0.1 OUTLIER -133.06 144.58 50.11 Favored 'General case' 0 C--N 1.318 -0.763 0 C-N-CA 124.011 0.924 . . . . 0.0 108.984 179.23 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 43.0 p90 -31.28 -33.23 0.01 OUTLIER 'General case' 0 C--O 1.202 -1.446 0 C-N-CA 124.243 1.017 . . . . 0.0 112.649 -178.744 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -73.52 -44.88 56.61 Favored 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 111.869 0.322 . . . . 0.0 111.869 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.419 ' N ' ' O ' ' A' ' 18' ' ' ASN . 0.0 OUTLIER -60.44 -45.64 92.92 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-O 121.3 0.571 . . . . 0.0 111.52 -175.477 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.411 HD12 ' N ' ' A' ' 23' ' ' ARG . 2.2 pp -76.72 -47.04 23.1 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.069 -0.969 . . . . 0.0 111.427 -179.559 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.411 ' N ' HD12 ' A' ' 22' ' ' LEU . 4.9 ttt180 -59.88 -50.01 75.47 Favored 'General case' 0 N--CA 1.477 0.91 0 CA-C-N 116.4 -0.363 . . . . 0.0 111.328 -176.11 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -56.16 -35.0 66.69 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.71 -178.704 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -72.18 -48.69 41.37 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 123.554 0.742 . . . . 0.0 112.906 177.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 47.7 mt -61.35 -31.24 71.12 Favored 'General case' 0 N--CA 1.483 1.206 0 CA-C-N 115.137 -0.938 . . . . 0.0 111.035 -176.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 31.6 ttmt -55.39 -45.0 76.64 Favored 'General case' 0 CA--C 1.548 0.89 0 CA-C-O 121.408 0.623 . . . . 0.0 109.509 178.532 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -62.03 -35.49 91.52 Favored Glycine 0 CA--C 1.53 0.972 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.353 179.616 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt -70.39 1.46 4.97 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 121.022 0.439 . . . . 0.0 110.991 -179.107 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 71.82 19.87 78.38 Favored Glycine 0 N--CA 1.465 0.585 0 CA-C-N 115.516 -0.766 . . . . 0.0 111.916 177.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -67.59 162.36 23.65 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 118.094 0.947 . . . . 0.0 109.94 179.169 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 63.0 p -92.82 160.84 14.76 Favored 'General case' 0 CA--C 1.506 -0.726 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.631 -177.045 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 15.6 p-10 -60.52 -41.26 94.04 Favored 'General case' 0 N--CA 1.463 0.205 0 N-CA-C 110.162 -0.31 . . . . 0.0 110.162 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.72 -47.16 86.75 Favored 'General case' 0 CA--C 1.539 0.521 0 O-C-N 123.497 0.498 . . . . 0.0 109.968 -179.774 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.466 ' O ' HD13 ' A' ' 39' ' ' ILE . 75.8 mt-10 -67.61 -47.9 68.36 Favored 'General case' 0 N--CA 1.472 0.636 0 O-C-N 121.568 -0.707 . . . . 0.0 110.349 -178.329 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 79.5 mt -57.82 -50.62 77.08 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.841 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.9 -176.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -64.77 -42.11 95.36 Favored 'General case' 0 C--N 1.351 0.656 0 CA-C-O 121.78 0.8 . . . . 0.0 111.762 -177.023 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.93 -44.6 88.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.421 -0.809 . . . . 0.0 111.242 -179.052 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.466 HD13 ' O ' ' A' ' 35' ' ' GLU . 1.2 mp -61.5 -47.33 93.92 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.694 0 C-N-CA 120.257 -0.577 . . . . 0.0 112.315 -173.426 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -67.51 -41.77 83.92 Favored 'General case' 0 CA--C 1.507 -0.691 0 CA-C-O 122.221 1.01 . . . . 0.0 110.707 -179.405 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 24.0 m -59.73 -43.97 93.98 Favored 'General case' 0 N--CA 1.442 -0.84 0 CA-C-N 113.391 -1.731 . . . . 0.0 111.124 -177.26 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 61.0 tttp -65.73 -50.11 66.0 Favored 'General case' 0 N--CA 1.442 -0.86 0 C-N-CA 119.587 -0.845 . . . . 0.0 110.402 -178.06 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.475 ' OH ' HD13 ' A' ' 63' ' ' LEU . 29.8 m-85 -73.82 -32.72 63.85 Favored 'General case' 0 C--N 1.356 0.863 0 C-N-CA 118.994 -1.082 . . . . 0.0 110.583 -177.506 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -100.77 103.86 15.1 Favored 'General case' 0 N--CA 1.487 1.421 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 178.788 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 19.2 mm-40 -60.97 -50.75 72.12 Favored 'General case' 0 C--O 1.239 0.542 0 N-CA-C 112.665 0.617 . . . . 0.0 112.665 -175.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 65.6 m-20 -105.82 -2.34 23.23 Favored 'General case' 0 N--CA 1.485 1.304 0 CA-C-N 119.028 0.831 . . . . 0.0 111.401 179.246 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 45.85 31.64 4.14 Favored Glycine 0 N--CA 1.482 1.738 0 C-N-CA 121.88 -0.2 . . . . 0.0 113.261 -179.679 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -115.42 -15.08 11.56 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 123.24 0.616 . . . . 0.0 111.568 -178.084 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.0 pm0 -132.07 173.94 10.7 Favored 'General case' 0 N--CA 1.484 1.263 0 CA-C-O 121.37 0.605 . . . . 0.0 110.819 -178.368 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 67.4 mt-10 -75.47 147.58 39.74 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 179.784 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 19.6 tp -90.55 121.9 32.89 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 -177.162 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 6.6 t -80.01 179.91 7.35 Favored 'General case' 0 CA--C 1.499 -0.998 0 CA-C-N 115.228 -0.896 . . . . 0.0 109.987 -177.007 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 72.5 mt-10 -75.25 -50.97 14.43 Favored 'General case' 0 N--CA 1.44 -0.96 0 CA-C-N 113.497 -1.683 . . . . 0.0 110.646 -178.138 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 84.3 t60 -54.61 -50.63 67.6 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 119.858 -0.737 . . . . 0.0 109.76 -174.323 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 90.0 mt-10 -60.94 -50.71 72.31 Favored 'General case' 0 C--O 1.219 -0.53 0 CA-C-N 118.327 0.512 . . . . 0.0 109.742 178.099 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 73.9 t60 -59.96 -53.76 54.1 Favored 'General case' 0 CA--C 1.547 0.839 0 N-CA-C 112.422 0.527 . . . . 0.0 112.422 -178.633 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -56.78 -39.99 75.08 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 118.442 0.565 . . . . 0.0 111.877 -178.732 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 81.8 mt-30 -63.25 -54.17 41.54 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 179.675 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 34.3 mmt -63.95 -34.71 78.6 Favored 'General case' 0 C--N 1.346 0.423 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 179.626 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 59.2 ttp180 -59.1 -48.2 82.47 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 119.572 -0.851 . . . . 0.0 109.667 -178.526 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -60.51 -36.32 78.07 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-O 121.512 0.672 . . . . 0.0 109.904 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 48.6 m-20 -68.43 -39.81 81.4 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 114.853 -1.067 . . . . 0.0 109.086 178.613 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.475 HD13 ' OH ' ' A' ' 43' ' ' TYR . 40.7 tp -59.73 -48.53 81.31 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.423 -179.284 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -56.93 -44.26 82.28 Favored 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 31.1 tptt -59.83 -42.85 94.45 Favored 'General case' 0 CA--C 1.546 0.793 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.597 179.142 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -65.72 -44.49 85.88 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-N 116.117 -0.492 . . . . 0.0 109.869 179.593 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -53.49 -44.39 68.99 Favored 'General case' 0 N--CA 1.48 1.068 0 N-CA-C 110.623 -0.14 . . . . 0.0 110.623 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 79.1 tt0 -62.53 -65.51 0.68 Allowed 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 179.702 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -52.21 -44.07 64.57 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.71 -179.385 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 61.6 tp -60.04 -40.52 89.65 Favored 'General case' 0 N--CA 1.478 0.945 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.099 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -60.43 -54.12 49.37 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-O 120.879 0.371 . . . . 0.0 110.125 -178.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 65.2 mt -65.16 -43.32 92.15 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.387 179.504 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 66.4 m-20 -77.77 41.08 0.33 Allowed 'General case' 0 N--CA 1.475 0.823 0 CA-C-O 121.201 0.524 . . . . 0.0 109.798 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.405 ' O ' ' N ' ' A' ' 76' ' ' SER . 74.1 t60 -156.23 -65.73 0.11 Allowed 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.849 179.8 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 68.4 m 55.78 -83.04 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.904 0 O-C-N 123.348 0.405 . . . . 0.0 110.685 -178.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.423 ' H ' ' H ' ' A' ' 77' ' ' LEU . 95.9 p -162.28 -2.59 0.04 OUTLIER 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 116.082 -0.508 . . . . 0.0 109.704 179.08 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.423 ' H ' ' H ' ' A' ' 76' ' ' SER . 54.9 mt -68.88 144.34 95.7 Favored Pre-proline 0 CA--C 1.556 1.205 0 CA-C-O 118.873 -0.584 . . . . 0.0 110.975 -178.428 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo . . . . . 0 N--CA 1.511 2.547 0 C-N-CA 122.032 1.821 . . . . 0.0 110.906 179.606 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 55.2 t30 . . . . . 0 N--CA 1.493 1.71 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 71.5 p -61.42 -10.3 7.22 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.642 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 55.8 t -64.16 -44.86 97.63 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 179.185 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -77.51 118.83 20.32 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 -179.745 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 70.7 m-20 -72.39 84.16 1.09 Allowed 'General case' 0 CA--C 1.535 0.402 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 16.4 tt -60.89 -34.95 61.51 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 CA-C-O 120.89 0.376 . . . . 0.0 110.033 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 96.9 p -64.08 -14.8 57.21 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.934 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -70.33 -37.37 74.67 Favored 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 110.059 -0.348 . . . . 0.0 110.059 179.361 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 79.5 p -60.22 -48.11 83.11 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 116.614 -0.266 . . . . 0.0 110.845 -179.275 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.596 HD12 ' CD2' ' A' ' 43' ' ' TYR . 4.2 mm? -64.01 -44.26 93.15 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 121.104 -0.239 . . . . 0.0 111.178 179.779 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 91.1 mtm180 -71.39 -53.43 14.13 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-O 120.779 0.323 . . . . 0.0 111.042 -178.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 9.7 tp-100 -79.52 143.14 35.13 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.51 -178.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 69.53 18.18 73.45 Favored Glycine 0 C--N 1.339 0.705 0 N-CA-C 110.593 -1.003 . . . . 0.0 110.593 179.487 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.555 ' O ' ' N ' ' A' ' 16' ' ' LYS . . . -62.63 -115.32 0.01 OUTLIER Glycine 0 CA--C 1.533 1.185 0 N-CA-C 110.521 -1.032 . . . . 0.0 110.521 -179.772 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 51.53 -75.25 0.01 OUTLIER Glycine 0 N--CA 1.479 1.552 0 CA-C-N 117.612 0.706 . . . . 0.0 111.699 -179.484 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.555 ' N ' ' O ' ' A' ' 14' ' ' GLY . 55.7 tttp -120.85 130.09 53.8 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 108.376 -0.972 . . . . 0.0 108.376 176.829 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.437 HD22 ' HB3' ' A' ' 22' ' ' LEU . 9.5 mt -148.1 130.47 15.68 Favored 'General case' 0 N--CA 1.477 0.89 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 179.043 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.487 ' ND2' ' H ' ' A' ' 20' ' ' ASP . 6.4 t30 -128.79 141.61 51.25 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 107.473 -1.306 . . . . 0.0 107.473 178.046 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 55.3 p90 -30.66 -35.64 0.01 OUTLIER 'General case' 0 C--O 1.207 -1.17 0 O-C-N 124.013 0.821 . . . . 0.0 112.321 -177.092 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.487 ' H ' ' ND2' ' A' ' 18' ' ' ASN . 18.1 t70 -72.9 -45.47 58.01 Favored 'General case' 0 N--CA 1.476 0.855 0 N-CA-C 112.466 0.543 . . . . 0.0 112.466 179.205 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.418 ' N ' ' O ' ' A' ' 18' ' ' ASN . 69.1 mm-40 -59.78 -47.31 86.2 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 112.714 0.635 . . . . 0.0 112.714 -177.741 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.454 HD12 ' N ' ' A' ' 23' ' ' ARG . 2.2 pp -75.71 -46.82 28.97 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 115.529 -0.759 . . . . 0.0 112.659 179.092 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.454 ' N ' HD12 ' A' ' 22' ' ' LEU . 11.3 ttm180 -61.64 -49.99 74.35 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-O 121.335 0.588 . . . . 0.0 111.468 -175.701 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 56.7 mm-40 -61.75 -34.36 75.71 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.595 -178.473 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -71.25 -48.82 48.72 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.698 0.761 . . . . 0.0 110.094 176.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 23.0 mt -63.14 -31.62 72.8 Favored 'General case' 0 N--CA 1.49 1.525 0 CA-C-N 114.521 -1.218 . . . . 0.0 111.463 -177.385 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 34.9 ttpt -55.27 -44.81 75.97 Favored 'General case' 0 CA--C 1.556 1.21 0 CA-C-O 121.214 0.53 . . . . 0.0 110.033 178.767 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -63.48 -33.51 87.44 Favored Glycine 0 CA--C 1.531 1.085 0 CA-C-N 115.916 -0.584 . . . . 0.0 112.055 179.464 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -70.56 6.49 1.4 Allowed 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 122.638 0.375 . . . . 0.0 111.409 -178.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 70.13 19.83 75.97 Favored Glycine 0 N--CA 1.464 0.552 0 N-CA-C 111.518 -0.633 . . . . 0.0 111.518 177.088 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -69.98 162.78 27.44 Favored 'General case' 0 C--N 1.345 0.38 0 CA-C-N 117.752 0.776 . . . . 0.0 109.93 179.523 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 68.3 p -96.3 160.36 14.47 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.067 -177.365 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 15.5 p-10 -61.08 -40.53 94.05 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.408 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.29 -46.6 89.28 Favored 'General case' 0 C--N 1.35 0.609 0 C-N-CA 120.429 -0.508 . . . . 0.0 109.797 -179.69 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.407 ' O ' HD13 ' A' ' 39' ' ' ILE . 71.0 mm-40 -69.14 -48.11 63.27 Favored 'General case' 0 N--CA 1.474 0.732 0 O-C-N 121.574 -0.703 . . . . 0.0 110.39 -178.176 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 81.6 mt -57.72 -50.2 78.27 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.798 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.244 -177.577 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -64.58 -36.96 85.93 Favored 'General case' 0 C--N 1.346 0.449 0 CA-C-O 121.099 0.476 . . . . 0.0 111.047 -178.254 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.94 -45.42 77.87 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.764 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.407 HD13 ' O ' ' A' ' 35' ' ' GLU . 1.4 mp -61.62 -47.04 95.18 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.888 0 C-N-CA 119.927 -0.709 . . . . 0.0 112.063 -175.189 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -67.74 -40.68 84.11 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.175 0.512 . . . . 0.0 109.818 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 14.0 m -59.03 -46.37 88.38 Favored 'General case' 0 C--N 1.345 0.392 0 CA-C-N 115.628 -0.715 . . . . 0.0 111.204 -176.03 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 54.8 mtmt -71.59 -48.61 47.11 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.16 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.596 ' CD2' HD12 ' A' ' 10' ' ' LEU . 15.7 m-85 -71.71 -29.49 64.61 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-O 119.696 -0.193 . . . . 0.0 110.482 -177.811 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.479 ' N ' ' OD1' ' A' ' 44' ' ' ASP . 0.0 OUTLIER -115.69 106.91 14.42 Favored 'General case' 0 N--CA 1.479 0.979 0 N-CA-C 107.988 -1.115 . . . . 0.0 107.988 -178.961 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 22.5 mm-40 -62.06 -50.82 70.46 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 119.2 -0.428 . . . . 0.0 111.992 -176.715 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 66.5 m-20 -106.34 -2.22 22.48 Favored 'General case' 0 N--CA 1.479 0.991 0 CA-C-N 118.48 0.582 . . . . 0.0 111.495 178.57 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 47.66 29.24 5.69 Favored Glycine 0 N--CA 1.478 1.495 0 C-N-CA 121.735 -0.269 . . . . 0.0 112.766 -179.061 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -117.54 -14.58 10.27 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.161 0.584 . . . . 0.0 111.737 -179.037 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.1 pm0 -128.66 177.23 7.18 Favored 'General case' 0 N--CA 1.487 1.412 0 CA-C-O 121.563 0.697 . . . . 0.0 111.588 -177.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -75.5 148.31 39.09 Favored 'General case' 0 CA--C 1.528 0.107 0 CA-C-N 114.929 -1.032 . . . . 0.0 109.552 179.249 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 6.1 mt -90.35 120.89 31.85 Favored 'General case' 0 N--CA 1.477 0.898 0 CA-C-O 121.233 0.54 . . . . 0.0 109.707 -176.509 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.3 t -80.57 179.23 7.85 Favored 'General case' 0 CA--C 1.502 -0.902 0 CA-C-N 115.104 -0.953 . . . . 0.0 109.489 -177.392 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -72.64 -53.75 10.96 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-N 113.618 -1.628 . . . . 0.0 111.071 -178.721 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 31.0 t-80 -54.74 -50.4 68.5 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 119.847 -0.741 . . . . 0.0 110.5 -174.409 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -61.59 -50.33 73.01 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 118.301 0.5 . . . . 0.0 110.252 178.496 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 54.5 t-80 -60.62 -51.15 70.62 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 112.37 0.507 . . . . 0.0 112.37 -178.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.418 ' NE2' ' N ' ' A' ' 57' ' ' GLN . 0.5 OUTLIER -60.22 -34.2 73.33 Favored 'General case' 0 N--CA 1.475 0.818 0 O-C-N 122.065 -0.397 . . . . 0.0 111.108 -179.458 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 48.4 tt0 -65.4 -54.25 31.47 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 -179.54 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 34.3 mmt -62.84 -34.22 76.88 Favored 'General case' 0 C--N 1.35 0.614 0 N-CA-C 110.139 -0.319 . . . . 0.0 110.139 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 73.4 ttt180 -58.94 -49.04 79.35 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 119.646 -0.821 . . . . 0.0 109.902 -178.545 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 -60.58 -38.09 83.49 Favored 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 109.879 -0.415 . . . . 0.0 109.879 179.588 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 56.4 m-20 -67.02 -40.65 87.29 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.619 178.704 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 6.6 tp -60.07 -49.4 77.8 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.051 -179.146 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -57.99 -44.21 87.01 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 120.848 -0.341 . . . . 0.0 110.155 179.23 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 66.8 mmtt -63.44 -45.55 90.39 Favored 'General case' 0 N--CA 1.476 0.872 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.68 179.448 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -67.16 -44.04 80.77 Favored 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 109.951 -0.388 . . . . 0.0 109.951 179.515 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 37.6 mmm-85 -55.43 -40.14 71.14 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.836 179.705 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 79.7 tt0 -62.79 -65.01 0.75 Allowed 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 179.346 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -56.38 -40.59 74.85 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.85 -179.448 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 61.4 tp -61.4 -40.87 95.96 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-O 120.479 0.181 . . . . 0.0 111.075 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -60.45 -47.61 85.37 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-O 120.858 0.361 . . . . 0.0 110.359 -179.236 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 73.5 mt -63.98 -43.81 94.61 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.835 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -129.5 122.16 28.7 Favored 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 123.154 0.582 . . . . 0.0 109.703 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 47.1 p-80 -58.84 -24.8 62.55 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-O 121.178 0.513 . . . . 0.0 110.658 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 43.9 t -166.13 140.44 4.41 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 115.187 -0.915 . . . . 0.0 110.245 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 47.4 t -62.97 -40.33 97.38 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 120.981 0.42 . . . . 0.0 110.975 179.155 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -69.66 146.77 96.16 Favored Pre-proline 0 CA--C 1.547 0.836 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.861 -178.707 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_endo . . . . . 0 N--CA 1.511 2.51 0 C-N-CA 122.677 2.252 . . . . 0.0 111.329 179.531 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 . . . . . 0 N--CA 1.487 1.393 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 72.4 p -74.88 10.02 1.63 Allowed 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.536 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 48.4 t -63.3 -51.16 74.53 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.011 0 N-CA-C 110.235 -0.283 . . . . 0.0 110.235 -179.439 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -171.48 131.39 0.73 Allowed 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 67.3 m-20 -155.47 31.68 0.37 Allowed 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 179.181 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 36.2 pt -72.44 -19.18 19.23 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 179.07 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 51.6 m -60.86 -17.72 51.9 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.227 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 78.3 mt-10 -66.49 -35.31 79.94 Favored 'General case' 0 CA--C 1.543 0.707 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.388 179.694 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 35.4 t -63.97 -40.6 96.78 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-O 120.861 0.363 . . . . 0.0 111.469 179.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 9.4 mp -59.06 -30.05 67.76 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.831 -179.039 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 81.1 mtp180 -59.29 -37.39 77.56 Favored 'General case' 0 N--CA 1.48 1.04 0 CA-C-O 121.082 0.468 . . . . 0.0 110.003 -179.176 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 97.1 mm-40 -67.72 151.95 46.4 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 108.269 -1.011 . . . . 0.0 108.269 178.528 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.405 ' C ' ' H ' ' A' ' 15' ' ' GLY . . . 144.65 18.54 0.19 Allowed Glycine 0 N--CA 1.482 1.76 0 N-CA-C 109.682 -1.367 . . . . 0.0 109.682 -177.216 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -69.62 43.13 0.45 Allowed Glycine 0 CA--C 1.533 1.173 0 N-CA-C 111.479 -0.648 . . . . 0.0 111.479 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.405 ' H ' ' C ' ' A' ' 13' ' ' GLY . . . 70.21 -72.49 0.58 Allowed Glycine 0 N--CA 1.466 0.643 0 N-CA-C 111.541 -0.624 . . . . 0.0 111.541 179.491 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 70.5 mmtt -92.43 117.51 30.0 Favored 'General case' 0 N--CA 1.479 1.017 0 CA-C-O 120.872 0.368 . . . . 0.0 111.116 -179.187 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.0 pp -160.36 150.54 18.17 Favored 'General case' 0 N--CA 1.447 -0.589 0 N-CA-C 108.385 -0.968 . . . . 0.0 108.385 177.203 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.509 ' O ' ' N ' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -138.71 147.37 42.64 Favored 'General case' 0 N--CA 1.477 0.924 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 179.61 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 42.3 p90 -33.0 -29.17 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 124.656 1.182 . . . . 0.0 113.195 -179.042 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.406 ' N ' ' O ' ' A' ' 18' ' ' ASN . 61.0 m-20 -68.88 -45.15 71.72 Favored 'General case' 0 C--O 1.213 -0.861 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 178.111 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.509 ' N ' ' O ' ' A' ' 18' ' ' ASN . 74.1 mm-40 -59.56 -40.69 88.14 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 115.941 -0.572 . . . . 0.0 109.849 179.821 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 84.7 mt -73.78 -48.24 33.01 Favored 'General case' 0 N--CA 1.478 0.955 0 CA-C-O 121.243 0.544 . . . . 0.0 110.551 178.747 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 50.0 ttp85 -61.63 -52.51 64.08 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-N 115.418 -0.81 . . . . 0.0 112.385 -178.536 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 37.2 mm-40 -61.66 -38.89 89.41 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-N 115.73 -0.668 . . . . 0.0 112.145 -175.505 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 89.7 m-20 -72.45 -49.52 32.82 Favored 'General case' 0 N--CA 1.445 -0.72 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 174.538 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 56.3 mt -63.95 -33.42 75.69 Favored 'General case' 0 N--CA 1.501 2.114 0 CA-C-N 115.405 -0.816 . . . . 0.0 112.573 -177.214 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.7 ttpp -55.07 -43.9 74.32 Favored 'General case' 0 CA--C 1.562 1.415 0 CA-C-O 121.188 0.518 . . . . 0.0 110.137 177.409 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -62.72 -30.2 76.17 Favored Glycine 0 CA--C 1.538 1.471 0 CA-C-N 116.16 -0.473 . . . . 0.0 113.221 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -73.52 6.85 2.72 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 122.575 0.35 . . . . 0.0 111.413 -178.46 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 71.02 15.83 74.48 Favored Glycine 0 N--CA 1.468 0.809 0 CA-C-N 116.004 -0.544 . . . . 0.0 112.01 177.142 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -67.47 161.99 24.18 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 117.387 0.593 . . . . 0.0 109.526 179.384 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 60.8 p -93.37 163.15 13.71 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 115.547 -0.752 . . . . 0.0 109.851 -177.228 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -59.96 -41.73 92.54 Favored 'General case' 0 C--O 1.232 0.152 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.73 -47.24 86.44 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 120.715 -0.394 . . . . 0.0 109.983 179.685 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -69.26 -45.76 68.92 Favored 'General case' 0 N--CA 1.479 1.012 0 O-C-N 121.345 -0.847 . . . . 0.0 110.582 -177.536 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 85.6 mt -58.83 -50.66 78.62 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.902 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.463 -177.743 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -62.79 -44.41 96.24 Favored 'General case' 0 C--N 1.352 0.682 0 CA-C-O 121.203 0.525 . . . . 0.0 112.239 -177.405 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.7 -44.73 95.48 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 115.018 -0.992 . . . . 0.0 112.296 -179.164 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.3 mp -65.86 -47.34 85.9 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.883 0 C-N-CA 119.676 -0.81 . . . . 0.0 112.02 -174.063 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.445 ' CG ' ' N ' ' A' ' 41' ' ' THR . 0.2 OUTLIER -66.4 -46.09 77.77 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 121.218 0.532 . . . . 0.0 111.373 -178.068 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.445 ' N ' ' CG ' ' A' ' 40' ' ' PHE . 6.0 t -64.44 -35.62 81.5 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-N 114.707 -1.133 . . . . 0.0 112.009 -174.422 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -66.02 -49.91 66.09 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 120.203 -0.599 . . . . 0.0 109.636 -179.407 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 45.0 m-85 -74.51 -33.04 62.71 Favored 'General case' 0 C--N 1.364 1.218 0 C-N-CA 118.685 -1.206 . . . . 0.0 110.101 -178.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 -97.96 100.75 12.11 Favored 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 178.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 20.4 mm-40 -59.29 -50.81 72.57 Favored 'General case' 0 CA--C 1.545 0.785 0 N-CA-C 112.862 0.69 . . . . 0.0 112.862 -175.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 66.2 m-20 -106.05 -2.59 22.56 Favored 'General case' 0 N--CA 1.49 1.549 0 CA-C-N 119.382 0.992 . . . . 0.0 111.995 178.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 43.35 31.71 1.58 Allowed Glycine 0 N--CA 1.492 2.415 0 CA-C-O 120.791 0.106 . . . . 0.0 113.196 -179.319 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -114.38 -21.38 10.41 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 123.766 0.826 . . . . 0.0 111.844 -178.414 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.453 ' H ' ' NE2' ' A' ' 49' ' ' GLN . 2.7 pm0 -127.16 176.59 7.26 Favored 'General case' 0 N--CA 1.493 1.713 0 C-N-CA 123.122 0.569 . . . . 0.0 110.869 -178.553 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 20.4 mp0 -75.91 146.88 39.39 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 18.9 tp -91.71 121.72 33.61 Favored 'General case' 0 N--CA 1.48 1.07 0 CA-C-O 120.976 0.417 . . . . 0.0 110.357 -177.114 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.2 t -80.13 177.01 9.24 Favored 'General case' 0 CA--C 1.505 -0.787 0 CA-C-O 122.308 1.051 . . . . 0.0 110.552 -177.346 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.435 ' H ' ' CD ' ' A' ' 53' ' ' GLU . 3.3 pm0 -73.85 -48.7 29.25 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 113.087 -1.869 . . . . 0.0 110.208 -178.596 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 56.6 t-80 -54.76 -50.71 67.78 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 119.892 -0.723 . . . . 0.0 110.24 -174.302 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 74.9 mt-10 -63.95 -50.36 68.92 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 118.415 0.552 . . . . 0.0 109.896 178.631 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 42.6 t-80 -58.23 -53.65 55.88 Favored 'General case' 0 CA--C 1.549 0.924 0 N-CA-C 112.192 0.441 . . . . 0.0 112.192 -179.319 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.434 HE21 ' H ' ' A' ' 57' ' ' GLN . 0.7 OUTLIER -61.31 -40.13 93.05 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-N 118.529 0.604 . . . . 0.0 111.279 -179.119 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 57.2 tt0 -63.91 -55.0 25.88 Favored 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 -179.63 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 86.3 mmm -60.84 -43.97 97.61 Favored 'General case' 0 C--N 1.346 0.445 0 CA-C-O 121.014 0.435 . . . . 0.0 111.085 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 72.2 ttt180 -59.33 -49.52 77.49 Favored 'General case' 0 CA--C 1.552 1.05 0 C-N-CA 119.704 -0.798 . . . . 0.0 109.062 -179.471 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -60.23 -37.84 81.58 Favored 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 -179.504 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 76.2 m-20 -65.48 -40.37 93.05 Favored 'General case' 0 C--N 1.342 0.258 0 N-CA-C 108.174 -1.047 . . . . 0.0 108.174 178.161 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.2 tp -58.51 -46.93 85.71 Favored 'General case' 0 C--N 1.35 0.622 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.382 -178.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -61.06 -44.43 97.39 Favored 'General case' 0 CA--C 1.559 1.315 0 C-N-CA 120.65 -0.42 . . . . 0.0 110.543 178.618 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -60.12 -48.28 82.38 Favored 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 113.276 0.843 . . . . 0.0 113.276 -178.574 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -70.84 -36.86 73.06 Favored 'General case' 0 N--CA 1.485 1.299 0 N-CA-C 110.164 -0.31 . . . . 0.0 110.164 -179.618 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 41.5 mtp85 -54.03 -49.63 68.49 Favored 'General case' 0 N--CA 1.484 1.241 0 CA-C-N 116.615 -0.266 . . . . 0.0 110.559 -179.647 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 73.4 mt-10 -66.57 -57.64 6.85 Favored 'General case' 0 N--CA 1.483 1.204 0 CA-C-O 121.003 0.43 . . . . 0.0 109.933 179.732 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -52.52 -45.76 66.42 Favored 'General case' 0 CA--C 1.548 0.874 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.485 -179.162 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 58.3 tp -58.04 -47.02 84.39 Favored 'General case' 0 N--CA 1.49 1.566 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.622 -178.664 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 77.3 m-20 -66.12 -61.41 2.05 Favored 'General case' 0 N--CA 1.47 0.544 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 179.657 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -74.66 93.46 2.55 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 115.749 -0.659 . . . . 0.0 109.304 179.578 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 70.0 m-20 -64.61 137.81 58.05 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-N 115.835 -0.621 . . . . 0.0 109.363 178.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 21.7 p80 -64.61 -43.79 92.63 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-O 120.988 0.423 . . . . 0.0 110.805 -179.627 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 34.8 t -170.44 103.2 0.27 Allowed 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.793 -179.753 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 49.8 m -162.47 -13.53 0.04 OUTLIER 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 122.662 0.385 . . . . 0.0 110.021 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 67.6 mt -68.67 143.38 94.98 Favored Pre-proline 0 CA--C 1.56 1.345 0 CA-C-O 118.749 -0.643 . . . . 0.0 110.629 -178.661 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 80.3 Cg_endo . . . . . 0 N--CA 1.515 2.759 0 C-N-CA 121.982 1.788 . . . . 0.0 110.863 179.95 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 21.2 p-10 . . . . . 0 N--CA 1.489 1.521 0 N-CA-C 109.589 -0.522 . . . . 0.0 109.589 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 58.9 p -63.87 -32.26 73.72 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.571 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 26.8 m -61.18 -27.05 40.97 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.611 179.585 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -163.49 91.26 0.67 Allowed 'General case' 0 N--CA 1.474 0.769 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.09 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -69.13 142.49 54.39 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 109.538 -0.541 . . . . 0.0 109.538 179.725 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 42.7 pt -64.93 -21.54 29.66 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.644 0 CA-C-O 121.131 0.491 . . . . 0.0 110.451 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 83.1 p -64.27 -1.17 1.5 Allowed 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.145 -179.641 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 79.2 tt0 -68.83 -38.97 80.2 Favored 'General case' 0 N--CA 1.472 0.65 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 178.746 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 89.4 p -61.57 -49.04 78.25 Favored 'General case' 0 N--CA 1.48 1.046 0 CA-C-O 120.926 0.393 . . . . 0.0 110.473 -179.827 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 59.8 mt -58.93 -43.7 91.23 Favored 'General case' 0 CA--C 1.545 0.775 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.027 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.47 ' O ' ' N ' ' A' ' 13' ' ' GLY . 40.3 ttm180 -64.51 -54.3 34.53 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 110.249 -0.278 . . . . 0.0 110.249 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 61.8 tp60 54.49 -75.87 0.01 OUTLIER 'General case' 0 CA--C 1.549 0.911 0 O-C-N 124.158 0.911 . . . . 0.0 111.026 -179.008 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 11' ' ' ARG . . . 74.42 16.23 80.03 Favored Glycine 0 N--CA 1.468 0.781 0 N-CA-C 110.832 -0.907 . . . . 0.0 110.832 179.166 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -78.25 -15.87 80.4 Favored Glycine 0 N--CA 1.466 0.658 0 N-CA-C 110.824 -0.91 . . . . 0.0 110.824 179.691 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 95.02 -28.16 12.53 Favored Glycine 0 N--CA 1.477 1.389 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp -119.37 122.79 42.6 Favored 'General case' 0 N--CA 1.482 1.153 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 179.32 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.48 ' CD2' HD21 ' A' ' 22' ' ' LEU . 1.1 mt -132.78 109.92 10.0 Favored 'General case' 0 C--N 1.352 0.71 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 -178.823 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.459 ' O ' ' N ' ' A' ' 21' ' ' GLU . 2.2 p-10 -125.1 132.33 53.15 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 107.457 -1.312 . . . . 0.0 107.457 178.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 29.8 p90 -31.52 -29.93 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.693 1.197 . . . . 0.0 113.741 -179.175 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.435 ' N ' ' O ' ' A' ' 18' ' ' ASN . 66.8 m-20 -71.49 -45.48 62.38 Favored 'General case' 0 C--O 1.218 -0.562 0 CA-C-N 115.58 -0.736 . . . . 0.0 109.355 -179.702 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 18' ' ' ASN . 0.0 OUTLIER -58.38 -36.83 74.11 Favored 'General case' 0 CA--C 1.549 0.924 0 N-CA-C 107.806 -1.183 . . . . 0.0 107.806 -178.556 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.48 HD21 ' CD2' ' A' ' 17' ' ' LEU . 96.2 mt -73.69 -48.42 32.31 Favored 'General case' 0 CA--C 1.495 -1.155 0 CA-C-O 121.533 0.682 . . . . 0.0 110.81 178.666 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 11.7 ttm180 -61.16 -51.69 67.97 Favored 'General case' 0 C--N 1.312 -1.033 0 CA-C-N 115.188 -0.915 . . . . 0.0 111.275 -177.646 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 82.5 mt-30 -62.04 -37.12 83.72 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 112.696 0.628 . . . . 0.0 112.696 -177.444 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -72.06 -48.82 41.45 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.034 0.445 . . . . 0.0 110.379 176.462 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 24.1 mt -61.33 -32.05 71.92 Favored 'General case' 0 N--CA 1.493 1.69 0 CA-C-N 115.309 -0.86 . . . . 0.0 112.139 -176.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 32.1 ttmt -54.97 -44.41 74.38 Favored 'General case' 0 CA--C 1.555 1.149 0 CA-C-O 121.201 0.524 . . . . 0.0 110.451 178.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -62.96 -33.48 87.3 Favored Glycine 0 CA--C 1.532 1.116 0 CA-C-N 115.56 -0.745 . . . . 0.0 112.285 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt -70.6 4.37 2.47 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 122.836 0.455 . . . . 0.0 111.489 -178.522 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 70.43 19.62 76.31 Favored Glycine 0 N--CA 1.47 0.944 0 N-CA-C 111.722 -0.551 . . . . 0.0 111.722 177.181 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -71.41 162.34 29.59 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 117.33 0.565 . . . . 0.0 109.481 179.543 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 72.9 p -90.7 162.76 14.77 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.052 -177.712 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -59.56 -44.11 93.38 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.675 -0.239 . . . . 0.0 110.366 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.04 -47.42 85.28 Favored 'General case' 0 N--CA 1.47 0.572 0 O-C-N 123.385 0.428 . . . . 0.0 110.353 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 71.4 mm-40 -69.56 -41.64 75.61 Favored 'General case' 0 N--CA 1.476 0.863 0 O-C-N 121.487 -0.758 . . . . 0.0 111.059 -177.689 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 64.3 mt -59.52 -50.58 79.39 Favored 'Isoleucine or valine' 0 C--O 1.245 0.819 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.012 -179.029 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -63.61 -42.24 98.24 Favored 'General case' 0 C--N 1.345 0.412 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.58 -177.197 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.55 -45.88 90.92 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 116.011 -0.54 . . . . 0.0 112.109 -178.468 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.3 mp -60.84 -46.85 95.51 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.856 0 C-N-CA 119.922 -0.711 . . . . 0.0 111.149 -173.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -66.99 -39.84 87.24 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.572 0.701 . . . . 0.0 110.271 -178.505 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 36.8 m -61.5 -46.27 90.69 Favored 'General case' 0 C--O 1.239 0.524 0 CA-C-N 114.249 -1.341 . . . . 0.0 111.578 -175.294 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -66.73 -49.2 66.75 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 -179.718 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 16.7 m-85 -71.49 -32.41 68.21 Favored 'General case' 0 C--O 1.217 -0.619 0 C-N-CA 119.97 -0.692 . . . . 0.0 110.427 -177.583 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -113.83 105.57 13.42 Favored 'General case' 0 N--CA 1.489 1.498 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 179.467 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 27.8 mm-40 -59.2 -51.44 69.96 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-O 119.187 -0.435 . . . . 0.0 112.125 -175.691 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 27.9 t0 -106.27 -3.01 21.72 Favored 'General case' 0 N--CA 1.483 1.212 0 CA-C-N 118.821 0.737 . . . . 0.0 111.823 178.319 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 42.65 40.8 4.02 Favored Glycine 0 N--CA 1.488 2.14 0 CA-C-N 117.816 0.28 . . . . 0.0 112.533 -179.003 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -118.0 -20.69 8.63 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 123.569 0.748 . . . . 0.0 111.836 -178.017 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.442 ' H ' ' NE2' ' A' ' 49' ' ' GLN . 2.6 pm0 -129.56 -178.61 4.75 Favored 'General case' 0 N--CA 1.489 1.502 0 CA-C-O 121.371 0.605 . . . . 0.0 110.989 -177.83 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -76.26 146.85 38.68 Favored 'General case' 0 C--N 1.341 0.2 0 CA-C-N 115.483 -0.78 . . . . 0.0 109.404 179.395 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 31.1 tp -91.29 122.72 34.15 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-O 121.352 0.596 . . . . 0.0 110.68 -177.592 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 6.3 t -80.35 -179.83 7.32 Favored 'General case' 0 CA--C 1.504 -0.796 0 CA-C-N 115.122 -0.944 . . . . 0.0 110.568 -178.23 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -73.54 -49.42 26.57 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-N 113.478 -1.692 . . . . 0.0 110.532 -178.611 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.451 ' NE2' ' NE2' ' A' ' 58' ' ' GLN . 82.4 t60 -54.46 -51.24 65.62 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 120.454 -0.498 . . . . 0.0 110.0 -174.707 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 67.8 mm-40 -62.0 -51.04 69.63 Favored 'General case' 0 CA--C 1.539 0.525 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 178.346 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.485 ' CD2' HH21 ' A' ' 60' ' ' ARG . 0.9 OUTLIER -58.5 -53.74 54.86 Favored 'General case' 0 CA--C 1.546 0.799 0 N-CA-C 112.736 0.643 . . . . 0.0 112.736 -179.321 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.434 HE21 ' H ' ' A' ' 57' ' ' GLN . 0.5 OUTLIER -57.56 -37.67 73.52 Favored 'General case' 0 CA--C 1.547 0.83 0 CA-C-N 118.222 0.464 . . . . 0.0 111.469 -178.553 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.451 ' NE2' ' NE2' ' A' ' 54' ' ' HIS . 86.9 mt-30 -63.81 -53.88 43.9 Favored 'General case' 0 N--CA 1.478 0.974 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 179.205 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 67.8 mmm -64.75 -35.09 79.96 Favored 'General case' 0 CA--C 1.512 -0.495 0 CA-C-O 120.893 0.378 . . . . 0.0 111.057 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.485 HH21 ' CD2' ' A' ' 56' ' ' HIS . 38.2 ttm180 -59.76 -48.93 79.71 Favored 'General case' 0 CA--C 1.549 0.933 0 N-CA-C 109.23 -0.655 . . . . 0.0 109.23 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 75.9 m-20 -60.71 -36.6 79.24 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-O 121.09 0.471 . . . . 0.0 110.046 -179.716 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 62.3 m-20 -64.76 -36.66 85.01 Favored 'General case' 0 N--CA 1.464 0.249 0 N-CA-C 108.963 -0.754 . . . . 0.0 108.963 178.216 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 7.3 tp -58.66 -47.7 83.56 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.566 -179.311 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -61.18 -44.47 97.25 Favored 'General case' 0 CA--C 1.554 1.113 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.41 179.404 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -63.91 -49.74 71.46 Favored 'General case' 0 N--CA 1.487 1.399 0 N-CA-C 113.718 1.007 . . . . 0.0 113.718 -178.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -67.98 -44.79 75.85 Favored 'General case' 0 N--CA 1.482 1.137 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 -177.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 79.1 mtm180 -55.88 -44.14 77.85 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-N 116.541 -0.3 . . . . 0.0 110.538 -179.677 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 77.0 tt0 -60.09 -65.59 0.66 Allowed 'General case' 0 N--CA 1.48 1.052 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 179.752 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 60.3 m-20 -52.17 -42.59 63.56 Favored 'General case' 0 CA--C 1.551 0.996 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.673 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 60.2 tp -63.06 -38.72 92.3 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 122.267 0.227 . . . . 0.0 111.36 179.437 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -58.53 -52.15 66.89 Favored 'General case' 0 N--CA 1.482 1.143 0 CA-C-O 120.905 0.383 . . . . 0.0 110.469 -178.118 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 10.7 mp -64.57 -43.19 94.67 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.971 179.089 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -64.19 132.16 49.55 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 109.149 -0.685 . . . . 0.0 109.149 179.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 57.9 t-80 -63.44 -41.21 98.67 Favored 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 33.2 t 54.37 -169.93 0.06 Allowed 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.496 -179.13 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 55.5 m -61.37 -38.52 87.31 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-O 121.001 0.429 . . . . 0.0 110.584 178.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 11.0 mp -63.6 150.47 90.31 Favored Pre-proline 0 CA--C 1.56 1.357 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.953 -178.498 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_endo . . . . . 0 N--CA 1.509 2.39 0 C-N-CA 122.319 2.013 . . . . 0.0 110.7 179.29 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 82.7 m-20 . . . . . 0 N--CA 1.489 1.524 0 N-CA-C 108.296 -1.001 . . . . 0.0 108.296 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 22.1 m -63.07 -48.02 80.46 Favored 'General case' 0 N--CA 1.478 0.927 0 CA-C-O 120.817 0.341 . . . . 0.0 110.159 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.6 p -63.53 -24.26 35.4 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.83 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.508 179.73 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 23.4 t70 64.35 171.54 0.19 Allowed 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.16 -178.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -80.25 96.01 6.48 Favored 'General case' 0 N--CA 1.478 0.938 0 CA-C-O 121.038 0.447 . . . . 0.0 109.955 -179.496 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 36.1 pt -67.89 -19.08 24.47 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 N-CA-C 109.932 -0.396 . . . . 0.0 109.932 179.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 48.2 m -64.04 -2.66 2.09 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.341 -179.659 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 64.6 mm-40 -72.01 -35.46 69.44 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 122.495 0.318 . . . . 0.0 110.478 177.748 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 43.9 t -59.59 -50.05 75.38 Favored 'General case' 0 N--CA 1.479 0.99 0 CA-C-O 120.725 0.297 . . . . 0.0 110.909 -179.705 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 9.6 mp -62.82 -42.78 99.87 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 178.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.487 ' O ' ' N ' ' A' ' 13' ' ' GLY . 58.1 ttm-85 -59.7 -54.37 47.16 Favored 'General case' 0 C--N 1.352 0.708 0 C-N-CA 120.84 -0.344 . . . . 0.0 110.336 -179.39 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 53.52 -77.47 0.01 OUTLIER 'General case' 0 CA--C 1.545 0.779 0 O-C-N 124.254 0.971 . . . . 0.0 110.844 -179.602 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.487 ' N ' ' O ' ' A' ' 11' ' ' ARG . . . 78.12 16.89 79.11 Favored Glycine 0 N--CA 1.473 1.123 0 N-CA-C 110.632 -0.987 . . . . 0.0 110.632 179.416 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -76.61 -16.91 80.36 Favored Glycine 0 CA--C 1.531 1.033 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 179.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 95.47 -32.73 5.99 Favored Glycine 0 N--CA 1.48 1.611 0 N-CA-C 111.272 -0.731 . . . . 0.0 111.272 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 46.5 mtmt -119.72 127.43 52.84 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 123.301 0.64 . . . . 0.0 109.418 179.338 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.4 tp -153.3 136.43 15.61 Favored 'General case' 0 C--O 1.221 -0.418 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 -179.159 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 21.1 p30 -156.39 164.78 37.87 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 108.232 -1.025 . . . . 0.0 108.232 179.094 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 24.0 p90 -31.13 -40.22 0.03 OUTLIER 'General case' 0 N--CA 1.483 1.184 0 O-C-N 124.357 1.036 . . . . 0.0 113.119 -177.199 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -74.19 -45.81 46.08 Favored 'General case' 0 C--O 1.208 -1.086 0 CA-C-O 121.436 0.636 . . . . 0.0 112.453 -179.607 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 66.2 mm-40 -61.62 -44.84 96.24 Favored 'General case' 0 N--CA 1.484 1.244 0 CA-C-O 121.321 0.581 . . . . 0.0 111.922 -175.263 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.4 pp -75.42 -47.43 27.4 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 115.226 -0.897 . . . . 0.0 110.938 178.584 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 51.6 ttp180 -59.77 -50.29 74.38 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 112.294 0.479 . . . . 0.0 112.294 -176.404 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 40.1 mm-40 -57.71 -36.31 71.83 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.15 -0.932 . . . . 0.0 110.988 -176.798 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -71.97 -48.57 44.11 Favored 'General case' 0 N--CA 1.448 -0.56 0 O-C-N 123.9 0.75 . . . . 0.0 110.233 175.269 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 20.2 mt -63.96 -33.13 75.03 Favored 'General case' 0 N--CA 1.496 1.864 0 CA-C-N 114.88 -1.055 . . . . 0.0 111.785 -175.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -55.23 -46.26 76.0 Favored 'General case' 0 CA--C 1.555 1.143 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 178.029 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -60.28 -35.88 89.37 Favored Glycine 0 CA--C 1.54 1.645 0 CA-C-N 115.969 -0.559 . . . . 0.0 112.006 178.811 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -70.09 -0.07 7.04 Favored 'General case' 0 N--CA 1.479 1.007 0 CA-C-O 121.289 0.566 . . . . 0.0 111.122 -179.249 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 71.4 20.57 78.36 Favored Glycine 0 N--CA 1.469 0.864 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.421 177.656 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -66.97 162.69 21.42 Favored 'General case' 0 N--CA 1.472 0.666 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 58.0 p -91.04 158.6 16.59 Favored 'General case' 0 CA--C 1.503 -0.841 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.231 -176.435 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.49 ' O ' ' HG3' ' A' ' 37' ' ' GLU . 15.4 p-10 -62.9 -45.03 94.43 Favored 'General case' 0 C--O 1.213 -0.841 0 CA-C-N 116.596 -0.275 . . . . 0.0 110.503 -179.662 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.58 -46.49 86.84 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 120.629 -0.428 . . . . 0.0 110.684 -179.159 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 -66.45 -42.19 87.97 Favored 'General case' 0 N--CA 1.478 0.957 0 CA-C-O 120.72 0.295 . . . . 0.0 110.88 -176.678 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 65.2 mt -57.25 -48.02 83.14 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.579 0 N-CA-C 108.709 -0.848 . . . . 0.0 108.709 179.341 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.49 ' HG3' ' O ' ' A' ' 33' ' ' ASP . 96.3 mt-10 -55.29 -45.83 76.2 Favored 'General case' 0 CA--C 1.5 -0.957 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.802 -178.66 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.05 -45.28 94.25 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.426 -179.445 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.6 mp -63.26 -47.54 91.68 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.136 0 C-N-CA 119.282 -0.967 . . . . 0.0 111.348 -174.21 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -67.68 -44.6 77.39 Favored 'General case' 0 CA--C 1.512 -0.516 0 CA-C-O 121.513 0.673 . . . . 0.0 110.756 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 24.3 m -58.31 -46.36 86.29 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-N 114.887 -1.051 . . . . 0.0 111.404 -176.589 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -70.94 -48.69 52.1 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.483 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -72.28 -32.85 66.97 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 119.555 -0.858 . . . . 0.0 110.413 -176.207 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -109.58 111.58 23.15 Favored 'General case' 0 N--CA 1.48 1.055 0 N-CA-C 108.075 -1.083 . . . . 0.0 108.075 179.43 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.448 ' N ' ' NE2' ' A' ' 45' ' ' GLN . 0.8 OUTLIER -63.23 -50.98 68.1 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-O 119.254 -0.403 . . . . 0.0 111.363 -176.628 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 65.3 m-20 -106.36 -2.47 22.16 Favored 'General case' 0 N--CA 1.479 1.009 0 CA-C-N 118.347 0.521 . . . . 0.0 111.054 178.703 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 47.8 27.09 4.51 Favored Glycine 0 N--CA 1.481 1.676 0 C-N-CA 121.432 -0.413 . . . . 0.0 112.476 -178.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -117.64 -14.28 10.22 Favored 'General case' 0 N--CA 1.495 1.807 0 C-N-CA 123.52 0.728 . . . . 0.0 112.124 -178.168 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -125.82 171.25 10.84 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 123.17 0.588 . . . . 0.0 109.848 -177.469 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -75.69 147.95 39.01 Favored 'General case' 0 CA--C 1.517 -0.293 0 CA-C-N 115.005 -0.998 . . . . 0.0 108.491 179.493 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 34.3 tp -91.05 122.89 34.09 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-O 121.844 0.831 . . . . 0.0 110.69 -177.489 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.7 t -80.74 178.29 8.47 Favored 'General case' 0 CA--C 1.501 -0.925 0 CA-C-N 114.273 -1.33 . . . . 0.0 109.784 -178.178 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.423 ' O ' ' NE2' ' A' ' 57' ' ' GLN . 75.6 mm-40 -73.23 -52.2 14.94 Favored 'General case' 0 C--N 1.306 -1.283 0 CA-C-N 113.195 -1.821 . . . . 0.0 110.867 -177.122 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 58.8 t-80 -55.44 -50.29 70.22 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 120.175 -0.61 . . . . 0.0 109.69 -174.308 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 41.9 tp10 -61.48 -49.6 76.11 Favored 'General case' 0 CA--C 1.537 0.45 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 179.027 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 45.0 t60 -58.67 -54.03 51.64 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.485 -179.44 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.598 HE21 ' N ' ' A' ' 57' ' ' GLN . 0.0 OUTLIER -57.38 -36.58 71.43 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 121.024 -0.27 . . . . 0.0 111.006 -178.952 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 48.9 tt0 -64.73 -54.69 27.47 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 120.84 -0.344 . . . . 0.0 110.559 -178.678 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 34.0 mmt -63.15 -34.7 78.2 Favored 'General case' 0 C--N 1.351 0.644 0 CA-C-O 120.838 0.351 . . . . 0.0 110.371 -179.756 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.444 HH11 ' NH1' ' A' ' 11' ' ' ARG . 60.5 ttp180 -59.86 -48.53 81.32 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.775 -178.305 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 75.0 m-20 -61.75 -37.76 85.44 Favored 'General case' 0 N--CA 1.466 0.374 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -65.7 -40.38 92.22 Favored 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 178.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 6.4 tp -59.8 -49.82 76.21 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.262 -178.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.7 tp10 -57.78 -44.67 86.41 Favored 'General case' 0 CA--C 1.549 0.926 0 CA-C-O 120.932 0.396 . . . . 0.0 110.185 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -63.06 -46.52 87.09 Favored 'General case' 0 N--CA 1.479 0.983 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.32 179.279 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 69.0 mt-10 -65.19 -45.91 82.9 Favored 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 179.657 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 73.2 mtt-85 -46.22 -25.78 0.67 Allowed 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 122.281 0.232 . . . . 0.0 111.227 179.572 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 72.2 tt0 -67.27 -64.6 0.82 Allowed 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 178.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 59.5 m-20 -51.93 -41.81 62.31 Favored 'General case' 0 N--CA 1.478 0.969 0 CA-C-O 120.838 0.352 . . . . 0.0 111.411 -178.716 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -65.37 -40.41 93.5 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.184 178.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -59.86 -52.31 66.0 Favored 'General case' 0 N--CA 1.484 1.269 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 -179.547 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -67.04 -46.63 73.84 Favored 'General case' 0 N--CA 1.48 1.035 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.673 179.54 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -85.65 92.76 8.66 Favored 'General case' 0 N--CA 1.476 0.86 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 179.755 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 99.3 m-70 -64.46 -45.44 87.42 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 -179.772 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 45.6 t -168.4 133.31 1.7 Allowed 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 115.131 -0.94 . . . . 0.0 110.106 179.269 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 48.0 t -62.64 -42.02 99.36 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-O 121.19 0.519 . . . . 0.0 110.163 178.664 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 64.1 mt -67.78 146.88 98.57 Favored Pre-proline 0 CA--C 1.565 1.528 0 CA-C-N 115.312 -0.858 . . . . 0.0 111.257 -178.351 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_exo . . . . . 0 N--CA 1.52 3.063 0 C-N-CA 122.42 2.08 . . . . 0.0 112.896 178.655 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 19.9 p30 . . . . . 0 N--CA 1.491 1.59 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 70.5 p -62.5 -31.91 72.75 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 116.455 -0.338 . . . . 0.0 110.575 -179.636 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.4 p -58.09 -29.91 37.84 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 179.494 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.427 ' CG ' ' H ' ' A' ' 5' ' ' ASP . 21.2 t70 59.56 -171.83 0.12 Allowed 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 115.531 -0.758 . . . . 0.0 109.287 -179.595 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.427 ' H ' ' CG ' ' A' ' 4' ' ' ASP . 71.5 m-20 -60.05 138.37 57.88 Favored 'General case' 0 CA--C 1.55 0.963 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 179.441 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 40.5 pt -65.35 -23.88 33.85 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 CA-C-O 120.828 0.347 . . . . 0.0 110.502 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 59.7 m -64.9 -7.68 12.4 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.854 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 76.0 tt0 -71.11 -37.14 72.35 Favored 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 179.464 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 79.3 p -59.89 -51.5 69.42 Favored 'General case' 0 N--CA 1.478 0.93 0 CA-C-N 116.67 -0.241 . . . . 0.0 111.082 -179.335 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 23.1 mt -63.78 -41.28 97.97 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 122.617 0.367 . . . . 0.0 110.766 179.413 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.453 ' O ' ' N ' ' A' ' 13' ' ' GLY . 41.1 ttm180 -60.5 -53.13 61.29 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 116.132 -0.485 . . . . 0.0 109.838 179.836 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 59.07 -74.22 0.02 OUTLIER 'General case' 0 CA--C 1.544 0.749 0 O-C-N 124.436 1.085 . . . . 0.0 110.137 -179.584 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 11' ' ' ARG . . . 116.14 -19.7 13.27 Favored Glycine 0 N--CA 1.48 1.611 0 C-N-CA 124.57 1.081 . . . . 0.0 110.6 178.82 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -69.68 -46.28 54.92 Favored Glycine 0 N--CA 1.47 0.936 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 179.091 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 106.96 -60.34 0.35 Allowed Glycine 0 N--CA 1.482 1.756 0 N-CA-C 110.51 -1.036 . . . . 0.0 110.51 -179.602 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 57.2 mtpt -65.59 129.0 38.22 Favored 'General case' 0 N--CA 1.473 0.715 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.516 HD22 ' HB3' ' A' ' 22' ' ' LEU . 6.5 mt -154.56 133.47 12.29 Favored 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 -178.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.419 ' O ' ' N ' ' A' ' 21' ' ' GLU . 12.9 t-20 -119.51 139.18 52.51 Favored 'General case' 0 N--CA 1.447 -0.623 0 C-N-CA 124.484 1.114 . . . . 0.0 108.701 178.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.415 ' CD1' ' ND2' ' A' ' 18' ' ' ASN . 53.8 p90 -31.37 -39.46 0.03 OUTLIER 'General case' 0 C--O 1.206 -1.197 0 C-N-CA 124.02 0.928 . . . . 0.0 112.309 -177.258 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -72.68 -45.53 58.39 Favored 'General case' 0 N--CA 1.481 1.123 0 CA-C-O 121.042 0.449 . . . . 0.0 111.687 178.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.419 ' N ' ' O ' ' A' ' 18' ' ' ASN . 62.0 mm-40 -59.67 -47.21 86.53 Favored 'General case' 0 N--CA 1.486 1.33 0 N-CA-C 113.03 0.752 . . . . 0.0 113.03 -176.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.547 HD12 ' N ' ' A' ' 23' ' ' ARG . 2.7 pp -75.63 -46.87 29.1 Favored 'General case' 0 CA--C 1.549 0.91 0 CA-C-N 115.549 -0.751 . . . . 0.0 111.75 178.209 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.547 ' N ' HD12 ' A' ' 22' ' ' LEU . 2.6 tmt_? -59.89 -50.37 74.04 Favored 'General case' 0 N--CA 1.486 1.374 0 CA-C-O 120.907 0.384 . . . . 0.0 111.718 -176.487 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 20.0 mm-40 -59.11 -34.79 72.43 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.958 -178.067 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -70.8 -47.75 57.82 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 109.271 -0.641 . . . . 0.0 109.271 176.075 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 55.2 mt -61.51 -32.28 72.32 Favored 'General case' 0 N--CA 1.497 1.9 0 CA-C-N 115.485 -0.78 . . . . 0.0 112.007 -177.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.6 ttpp -55.19 -45.33 75.84 Favored 'General case' 0 CA--C 1.557 1.212 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 178.319 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -60.83 -35.17 89.65 Favored Glycine 0 CA--C 1.538 1.494 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.885 179.17 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -70.41 -0.05 7.52 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 123.008 0.523 . . . . 0.0 111.235 -179.337 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 71.71 19.91 78.29 Favored Glycine 0 N--CA 1.468 0.806 0 CA-C-N 115.397 -0.82 . . . . 0.0 111.676 177.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -66.4 162.32 20.71 Favored 'General case' 0 N--CA 1.475 0.818 0 CA-C-N 117.652 0.726 . . . . 0.0 109.826 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 57.8 p -91.51 162.31 14.6 Favored 'General case' 0 CA--C 1.507 -0.708 0 CA-C-N 115.238 -0.892 . . . . 0.0 109.767 -176.206 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -61.21 -42.05 97.91 Favored 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 109.724 -0.472 . . . . 0.0 109.724 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.28 -47.03 86.91 Favored 'General case' 0 C--N 1.352 0.684 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 74.3 mt-10 -67.77 -48.07 67.41 Favored 'General case' 0 N--CA 1.473 0.691 0 O-C-N 121.584 -0.697 . . . . 0.0 110.174 -178.158 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 83.8 mt -58.46 -50.71 77.84 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.942 0 CA-C-N 115.571 -0.74 . . . . 0.0 111.073 -177.373 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -63.38 -43.53 97.32 Favored 'General case' 0 C--N 1.355 0.81 0 CA-C-O 121.377 0.608 . . . . 0.0 111.604 -177.515 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.66 -45.14 91.48 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 115.196 -0.911 . . . . 0.0 111.708 -179.009 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.2 mp -61.79 -46.9 95.53 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.998 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.953 -174.217 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.463 ' CB ' HD11 ' A' ' 22' ' ' LEU . 0.4 OUTLIER -67.97 -43.5 78.85 Favored 'General case' 0 CA--C 1.509 -0.602 0 CA-C-O 122.056 0.931 . . . . 0.0 110.359 -179.777 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 23.9 m -60.27 -45.58 92.79 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-N 113.682 -1.599 . . . . 0.0 111.29 -176.703 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -67.38 -49.89 61.97 Favored 'General case' 0 N--CA 1.443 -0.806 0 C-N-CA 119.955 -0.698 . . . . 0.0 110.729 -178.187 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.792 ' O ' HD11 ' A' ' 51' ' ' LEU . 8.8 m-85 -73.67 -31.52 63.5 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 120.986 -0.286 . . . . 0.0 110.969 -177.876 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -109.02 103.75 12.83 Favored 'General case' 0 N--CA 1.486 1.358 0 N-CA-C 107.46 -1.311 . . . . 0.0 107.46 179.125 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.452 ' N ' ' NE2' ' A' ' 45' ' ' GLN . 0.9 OUTLIER -59.35 -50.29 74.55 Favored 'General case' 0 CA--C 1.549 0.928 0 CA-C-N 115.728 -0.669 . . . . 0.0 112.133 -175.755 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -104.72 -0.32 27.52 Favored 'General case' 0 N--CA 1.489 1.491 0 CA-C-N 119.044 0.838 . . . . 0.0 111.751 -179.109 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.58 20.29 59.04 Favored Glycine 0 N--CA 1.471 0.993 0 N-CA-C 112.188 -0.365 . . . . 0.0 112.188 -177.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -120.54 -12.97 8.84 Favored 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 123.825 0.85 . . . . 0.0 111.811 178.418 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -109.47 140.67 42.93 Favored 'General case' 0 N--CA 1.491 1.587 0 CA-C-O 121.277 0.56 . . . . 0.0 112.288 -175.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -76.05 148.59 37.87 Favored 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 124.785 1.234 . . . . 0.0 108.059 177.519 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.792 HD11 ' O ' ' A' ' 43' ' ' TYR . 4.5 mm? -90.42 118.11 29.65 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-O 121.945 0.878 . . . . 0.0 110.163 -176.75 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.3 t -80.18 -178.34 6.52 Favored 'General case' 0 CA--C 1.487 -1.458 0 CA-C-N 114.454 -1.248 . . . . 0.0 108.481 -176.501 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.404 ' O ' ' NE2' ' A' ' 57' ' ' GLN . 72.7 mt-10 -61.52 -62.44 1.81 Allowed 'General case' 0 C--N 1.308 -1.205 0 CA-C-N 114.277 -1.328 . . . . 0.0 111.37 -177.872 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 82.7 t60 -55.35 -50.33 69.95 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 119.91 -0.716 . . . . 0.0 110.783 -174.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 40.7 tp10 -61.54 -45.25 94.95 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 118.326 0.512 . . . . 0.0 110.58 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 54.1 t-80 -63.57 -47.57 80.96 Favored 'General case' 0 CA--C 1.545 0.775 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.638 178.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.619 HE21 ' N ' ' A' ' 57' ' ' GLN . 0.0 OUTLIER -64.61 -34.93 79.42 Favored 'General case' 0 CA--C 1.56 1.344 0 O-C-N 121.629 -0.669 . . . . 0.0 111.173 -179.778 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 72.3 mt-30 -63.13 -55.04 28.64 Favored 'General case' 0 N--CA 1.49 1.542 0 CA-C-N 118.338 0.517 . . . . 0.0 111.295 -179.091 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.72 -34.47 77.24 Favored 'General case' 0 C--N 1.351 0.672 0 O-C-N 122.039 -0.413 . . . . 0.0 110.424 -179.82 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 58.7 ttp180 -58.7 -48.02 82.55 Favored 'General case' 0 C--N 1.359 0.988 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 -178.61 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -60.09 -36.05 76.56 Favored 'General case' 0 C--N 1.341 0.211 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 179.374 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -69.66 -39.2 77.19 Favored 'General case' 0 C--N 1.35 0.609 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.321 179.602 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.3 tp -59.07 -50.29 74.65 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.808 -179.198 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 41.1 tp10 -58.75 -45.38 89.85 Favored 'General case' 0 CA--C 1.549 0.916 0 CA-C-O 120.595 0.236 . . . . 0.0 110.619 -179.791 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -63.8 -45.67 88.6 Favored 'General case' 0 N--CA 1.476 0.867 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.796 179.226 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 62.7 mm-40 -65.16 -50.76 64.74 Favored 'General case' 0 N--CA 1.476 0.827 0 N-CA-C 109.894 -0.41 . . . . 0.0 109.894 -179.682 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 64.9 mtp85 -52.16 -42.89 63.78 Favored 'General case' 0 N--CA 1.477 0.918 0 CA-C-N 116.958 -0.11 . . . . 0.0 110.744 179.757 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -57.45 -64.75 0.79 Allowed 'General case' 0 N--CA 1.48 1.056 0 N-CA-C 110.076 -0.342 . . . . 0.0 110.076 179.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -53.25 -43.34 67.3 Favored 'General case' 0 N--CA 1.478 0.97 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.289 -179.47 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 61.2 mt -63.01 -38.72 92.31 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.445 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 78.5 m-20 -60.72 -46.46 90.33 Favored 'General case' 0 N--CA 1.483 1.201 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 -179.725 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 87.2 mt -61.48 -44.87 96.32 Favored 'General case' 0 CA--C 1.546 0.806 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.294 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -105.81 36.43 2.55 Favored 'General case' 0 N--CA 1.484 1.245 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 179.54 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 84.6 t60 -56.56 -42.61 78.87 Favored 'General case' 0 N--CA 1.478 0.929 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 179.572 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 84.5 p 50.23 92.69 0.02 OUTLIER 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.654 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 67.8 m -59.31 -17.94 33.59 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.51 -179.214 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 7.6 tp -107.71 102.39 44.74 Favored Pre-proline 0 N--CA 1.486 1.355 0 CA-C-O 118.741 -0.647 . . . . 0.0 110.814 179.578 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_exo . . . . . 0 N--CA 1.518 2.968 0 C-N-CA 122.148 1.899 . . . . 0.0 112.452 178.155 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 . . . . . 0 N--CA 1.492 1.664 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 21.1 m -61.63 -47.38 85.68 Favored 'General case' 0 N--CA 1.479 1.017 0 CA-C-O 120.933 0.397 . . . . 0.0 110.345 -179.273 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 35.9 m -59.79 -32.13 48.92 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.673 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 57.0 m-20 -75.07 102.93 5.06 Favored 'General case' 0 CA--C 1.543 0.683 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 179.671 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 13.5 p-10 -71.81 64.81 0.49 Allowed 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 41.4 pt -69.19 -23.78 27.24 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 68.1 m -63.61 -8.23 9.36 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.717 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 78.8 tt0 -69.16 -39.69 78.63 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.996 179.352 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 47.4 t -61.27 -45.79 93.05 Favored 'General case' 0 N--CA 1.477 0.903 0 CA-C-O 120.782 0.325 . . . . 0.0 111.225 -179.309 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 33.4 mt -62.3 -43.8 97.99 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.012 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.532 ' O ' ' N ' ' A' ' 13' ' ' GLY . 70.8 ttt-85 -72.01 -55.0 8.19 Favored 'General case' 0 C--O 1.216 -0.658 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 -179.587 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 9.8 tp-100 51.39 -77.46 0.01 OUTLIER 'General case' 0 CA--C 1.553 1.095 0 CA-C-N 115.921 -0.582 . . . . 0.0 111.065 -179.119 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.532 ' N ' ' O ' ' A' ' 11' ' ' ARG . . . 87.4 17.14 59.3 Favored Glycine 0 N--CA 1.472 1.043 0 N-CA-C 110.416 -1.074 . . . . 0.0 110.416 179.704 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -74.3 -23.49 75.6 Favored Glycine 0 N--CA 1.474 1.169 0 N-CA-C 111.156 -0.777 . . . . 0.0 111.156 179.536 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 93.48 -73.02 1.26 Allowed Glycine 0 N--CA 1.477 1.381 0 N-CA-C 110.604 -0.998 . . . . 0.0 110.604 -179.561 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 28.7 mtmm -71.85 116.58 12.41 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 179.581 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.504 HD22 ' CD2' ' A' ' 22' ' ' LEU . 9.4 mt -153.05 134.51 14.36 Favored 'General case' 0 C--O 1.213 -0.85 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 -177.686 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.437 ' O ' ' N ' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -133.7 142.97 48.23 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 106.994 -1.484 . . . . 0.0 106.994 179.652 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 49.0 p90 -33.36 -31.31 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 124.119 0.968 . . . . 0.0 113.221 -179.55 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -72.47 -44.88 61.7 Favored 'General case' 0 C--O 1.214 -0.765 0 N-CA-C 109.06 -0.718 . . . . 0.0 109.06 -178.7 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 18' ' ' ASN . 71.8 mm-40 -59.12 -40.39 85.24 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 115.119 -0.946 . . . . 0.0 109.343 -179.581 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.504 ' CD2' HD22 ' A' ' 17' ' ' LEU . 66.5 mt -74.29 -47.67 33.31 Favored 'General case' 0 CA--C 1.498 -1.041 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.481 178.18 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 32.0 ttm180 -62.79 -53.83 48.25 Favored 'General case' 0 C--N 1.317 -0.813 0 C-N-CA 119.444 -0.902 . . . . 0.0 110.952 -177.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -60.29 -39.65 87.65 Favored 'General case' 0 CA--C 1.501 -0.924 0 CA-C-N 115.094 -0.957 . . . . 0.0 112.001 -176.329 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -71.23 -48.71 49.65 Favored 'General case' 0 N--CA 1.444 -0.745 0 CA-C-O 121.298 0.57 . . . . 0.0 110.332 176.086 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 44.1 mt -64.4 -32.14 73.64 Favored 'General case' 0 N--CA 1.497 1.886 0 CA-C-N 114.597 -1.183 . . . . 0.0 112.221 -176.597 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.8 ttpt -55.3 -44.62 75.92 Favored 'General case' 0 CA--C 1.562 1.441 0 C-N-CA 119.785 -0.766 . . . . 0.0 110.031 178.025 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -61.18 -30.82 74.84 Favored Glycine 0 CA--C 1.536 1.4 0 CA-C-N 116.18 -0.464 . . . . 0.0 112.436 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -70.79 3.23 3.38 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 122.955 0.502 . . . . 0.0 111.643 -178.419 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 71.23 19.1 77.17 Favored Glycine 0 N--CA 1.468 0.822 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 177.109 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -69.97 162.18 28.59 Favored 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 179.632 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 71.8 p -88.79 158.39 18.17 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.536 -176.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -59.51 -44.65 93.09 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 116.727 -0.215 . . . . 0.0 110.593 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.01 -46.41 88.27 Favored 'General case' 0 N--CA 1.473 0.72 0 O-C-N 123.762 0.664 . . . . 0.0 110.021 -179.71 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 69.8 mm-40 -70.02 -43.83 70.53 Favored 'General case' 0 N--CA 1.467 0.382 0 O-C-N 121.666 -0.646 . . . . 0.0 110.767 -177.717 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 85.3 mt -60.52 -50.6 79.74 Favored 'Isoleucine or valine' 0 C--O 1.243 0.734 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.153 -177.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.419 ' O ' ' CD2' ' A' ' 40' ' ' PHE . 11.2 pt-20 -62.73 -42.45 99.67 Favored 'General case' 0 C--N 1.349 0.575 0 CA-C-O 121.766 0.794 . . . . 0.0 111.527 -176.588 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.61 -43.44 93.76 Favored 'General case' 0 C--O 1.222 -0.356 0 CA-C-N 114.69 -1.141 . . . . 0.0 111.367 -178.762 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.1 mp -61.74 -46.85 95.64 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.079 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.595 -173.138 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.419 ' CD2' ' O ' ' A' ' 37' ' ' GLU . 0.5 OUTLIER -66.98 -39.99 87.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.981 0.896 . . . . 0.0 110.39 -178.933 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 52.6 m -59.99 -44.21 94.67 Favored 'General case' 0 CA--C 1.513 -0.45 0 CA-C-N 113.641 -1.618 . . . . 0.0 111.692 -176.036 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -67.68 -49.11 64.45 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 120.281 -0.567 . . . . 0.0 110.197 -179.383 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.44 ' CD1' ' SD ' ' A' ' 59' ' ' MET . 14.6 m-85 -72.55 -32.2 65.89 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 119.971 -0.692 . . . . 0.0 111.408 -177.193 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -106.49 108.18 19.56 Favored 'General case' 0 N--CA 1.481 1.116 0 N-CA-C 106.796 -1.557 . . . . 0.0 106.796 178.523 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.472 ' N ' ' NE2' ' A' ' 45' ' ' GLN . 0.7 OUTLIER -60.95 -51.48 69.09 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 112.326 0.491 . . . . 0.0 112.326 -175.937 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 59.9 m-20 -106.28 -2.31 22.49 Favored 'General case' 0 N--CA 1.477 0.915 0 CA-C-N 118.805 0.729 . . . . 0.0 110.665 178.505 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 53.02 25.54 24.54 Favored Glycine 0 N--CA 1.481 1.691 0 C-N-CA 120.977 -0.63 . . . . 0.0 111.751 -178.679 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 64.2 m-20 -117.7 -12.56 10.26 Favored 'General case' 0 N--CA 1.492 1.637 0 C-N-CA 123.479 0.712 . . . . 0.0 111.98 -178.308 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.1 pm0 -125.81 163.53 22.69 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 123.66 0.784 . . . . 0.0 110.461 -178.24 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 73.4 mt-10 -76.1 148.5 37.84 Favored 'General case' 0 N--CA 1.444 -0.731 0 CA-C-N 114.48 -1.236 . . . . 0.0 108.368 178.745 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 32.1 tp -91.03 120.44 32.02 Favored 'General case' 0 CA--C 1.536 0.415 0 O-C-N 123.616 0.572 . . . . 0.0 109.561 -177.486 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.4 t -79.5 -179.73 7.0 Favored 'General case' 0 CA--C 1.481 -1.688 0 CA-C-N 115.063 -0.971 . . . . 0.0 109.316 -177.169 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.496 ' O ' ' NE2' ' A' ' 57' ' ' GLN . 62.0 mt-10 -73.88 -54.04 8.85 Favored 'General case' 0 N--CA 1.428 -1.548 0 CA-C-N 113.225 -1.807 . . . . 0.0 110.231 -176.454 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -53.29 -49.89 66.04 Favored 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 120.23 -0.588 . . . . 0.0 109.672 -174.659 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 39.8 tp10 -62.21 -44.13 97.26 Favored 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 178.466 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.424 ' NE2' ' O ' ' A' ' 11' ' ' ARG . 29.1 t-80 -59.31 -49.25 78.56 Favored 'General case' 0 C--N 1.355 0.828 0 O-C-N 123.526 0.516 . . . . 0.0 110.067 -179.741 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.496 ' NE2' ' O ' ' A' ' 53' ' ' GLU . 1.4 mp0 -57.75 -34.48 69.58 Favored 'General case' 0 N--CA 1.481 1.078 0 O-C-N 121.808 -0.557 . . . . 0.0 111.342 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 55.6 tt0 -64.67 -55.7 18.47 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 120.543 -0.463 . . . . 0.0 110.873 -178.261 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.44 ' SD ' ' CD1' ' A' ' 43' ' ' TYR . 11.8 ptm -59.11 -35.09 72.83 Favored 'General case' 0 C--N 1.348 0.525 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 179.3 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 58.5 ttp180 -58.51 -48.75 79.8 Favored 'General case' 0 C--N 1.362 1.126 0 C-N-CA 120.181 -0.608 . . . . 0.0 109.73 -175.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 74.0 m-20 -60.62 -35.5 76.32 Favored 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 179.385 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 51.3 m-20 -69.93 -36.66 75.5 Favored 'General case' 0 C--N 1.346 0.456 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 179.209 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 6.9 tp -60.56 -49.04 79.14 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.218 -179.096 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 90.9 mt-10 -57.73 -44.12 85.78 Favored 'General case' 0 CA--C 1.547 0.854 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 178.707 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -60.57 -43.32 97.43 Favored 'General case' 0 N--CA 1.483 1.19 0 CA-C-O 120.877 0.37 . . . . 0.0 110.949 179.597 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 65.6 mt-10 -58.31 -34.82 70.99 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 51.3 ttt85 -53.66 -43.17 68.62 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.339 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -69.89 -32.09 70.24 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.696 179.362 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 57.6 m-20 -78.22 -16.58 57.71 Favored 'General case' 0 N--CA 1.481 1.101 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.246 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 49.2 tp -68.87 -42.52 76.9 Favored 'General case' 0 N--CA 1.48 1.05 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.981 -179.086 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 13.2 p-10 -87.04 -47.51 8.87 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.394 -178.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 79.3 mt -68.96 88.16 0.39 Allowed 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 115.903 -0.59 . . . . 0.0 109.75 179.517 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 67.3 m-20 -71.24 85.35 0.77 Allowed 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 179.289 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 99.5 m-70 -66.58 -32.25 73.47 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 39.8 t 54.34 17.2 1.46 Allowed 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.752 -179.562 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 44.1 t -61.79 -41.27 97.52 Favored 'General case' 0 CA--C 1.518 -0.276 0 CA-C-N 115.207 -0.906 . . . . 0.0 110.092 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 65.1 mt -67.31 146.27 98.78 Favored Pre-proline 0 CA--C 1.557 1.214 0 CA-C-N 115.276 -0.875 . . . . 0.0 110.944 -178.428 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 90.6 Cg_exo . . . . . 0 N--CA 1.519 2.98 0 C-N-CA 122.324 2.016 . . . . 0.0 112.935 178.375 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.5 t -61.27 -17.78 55.19 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.783 179.539 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 51.9 t -61.75 -43.47 97.27 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 CA-C-N 116.035 -0.529 . . . . 0.0 109.772 -179.779 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 51.2 m-20 54.53 61.72 2.88 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-O 121.186 0.517 . . . . 0.0 110.793 -179.31 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 29.5 m-20 -64.18 153.7 37.05 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.66 -179.624 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 41.9 pt -69.81 -24.02 26.35 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.479 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.456 -179.57 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 88.6 p -90.03 10.59 23.56 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.717 -179.051 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 42.3 tp10 -60.95 -40.18 92.33 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 110.169 -0.308 . . . . 0.0 110.169 -178.609 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 49.5 m -58.47 -50.03 75.22 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-O 120.933 0.397 . . . . 0.0 110.193 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 77.8 mt -65.55 -38.05 88.45 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.344 178.753 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 34.9 ttm180 -58.23 -26.03 62.4 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.268 -179.19 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 68.4 tp60 -45.95 -66.57 0.38 Allowed 'General case' 0 CA--C 1.543 0.68 0 O-C-N 123.556 0.535 . . . . 0.0 110.77 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 65.66 18.33 65.85 Favored Glycine 0 C--N 1.339 0.698 0 N-CA-C 110.682 -0.967 . . . . 0.0 110.682 178.604 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -53.58 -12.69 2.51 Favored Glycine 0 CA--C 1.531 1.032 0 N-CA-C 111.974 -0.45 . . . . 0.0 111.974 -179.71 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 99.74 -72.75 0.48 Allowed Glycine 0 N--CA 1.475 1.261 0 N-CA-C 110.54 -1.024 . . . . 0.0 110.54 179.425 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 60.1 mmtt -72.44 107.81 5.19 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 179.44 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.549 HD22 HD21 ' A' ' 22' ' ' LEU . 12.8 mt -149.69 134.18 17.5 Favored 'General case' 0 C--O 1.22 -0.469 0 O-C-N 124.039 0.837 . . . . 0.0 109.14 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.494 ' ND2' ' H ' ' A' ' 20' ' ' ASP . 12.2 t30 -133.07 142.96 49.03 Favored 'General case' 0 C--O 1.218 -0.562 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 178.221 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 47.6 p90 -33.59 -30.67 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 123.896 0.878 . . . . 0.0 113.071 -179.132 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.494 ' H ' ' ND2' ' A' ' 18' ' ' ASN . 36.4 t70 -72.31 -45.67 58.98 Favored 'General case' 0 C--O 1.211 -0.938 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.504 -179.539 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 18' ' ' ASN . 69.7 mm-40 -59.29 -37.84 78.69 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 115.648 -0.706 . . . . 0.0 109.385 -179.687 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.549 HD21 HD22 ' A' ' 17' ' ' LEU . 64.4 mt -74.91 -48.54 24.11 Favored 'General case' 0 CA--C 1.498 -1.054 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.394 178.003 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 37.1 ttp180 -61.33 -52.18 65.76 Favored 'General case' 0 C--N 1.315 -0.915 0 C-N-CA 119.843 -0.743 . . . . 0.0 111.021 -179.094 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 45.4 mm-40 -58.03 -39.26 77.94 Favored 'General case' 0 CA--C 1.501 -0.91 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.681 -176.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -72.37 -49.02 37.11 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-O 121.015 0.435 . . . . 0.0 111.078 175.175 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 46.0 mt -63.7 -31.98 73.33 Favored 'General case' 0 N--CA 1.497 1.92 0 CA-C-N 115.082 -0.963 . . . . 0.0 112.028 -177.116 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.5 ttpt -54.79 -44.81 74.07 Favored 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 120.045 -0.662 . . . . 0.0 109.962 178.503 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -63.01 -33.26 86.75 Favored Glycine 0 N--CA 1.472 1.037 0 N-CA-C 111.804 -0.519 . . . . 0.0 111.804 179.738 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -70.29 3.47 2.88 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 122.813 0.445 . . . . 0.0 111.599 -178.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 70.8 19.35 76.72 Favored Glycine 0 N--CA 1.467 0.707 0 N-CA-C 110.799 -0.92 . . . . 0.0 110.799 176.722 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -68.27 162.32 25.35 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 69.9 p -91.1 159.02 16.32 Favored 'General case' 0 CA--C 1.506 -0.727 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.814 -177.52 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 17.6 p-10 -60.79 -44.44 96.82 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.427 179.798 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.08 -46.66 87.7 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 123.789 0.68 . . . . 0.0 109.85 -178.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.403 ' O ' HD13 ' A' ' 39' ' ' ILE . 67.8 mm-40 -68.48 -42.44 78.68 Favored 'General case' 0 N--CA 1.469 0.501 0 O-C-N 121.72 -0.613 . . . . 0.0 110.58 -178.17 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 51.9 mt -59.9 -50.83 78.6 Favored 'Isoleucine or valine' 0 C--O 1.239 0.517 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.107 -178.037 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -63.72 -41.78 98.02 Favored 'General case' 0 C--N 1.346 0.427 0 CA-C-O 121.482 0.658 . . . . 0.0 111.933 -176.094 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.31 -45.66 83.44 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 114.883 -1.053 . . . . 0.0 111.795 -177.48 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.403 HD13 ' O ' ' A' ' 35' ' ' GLU . 1.3 mp -62.24 -46.87 95.43 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.477 0 C-N-CA 119.948 -0.701 . . . . 0.0 111.29 -173.794 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -66.91 -41.39 87.17 Favored 'General case' 0 C--O 1.212 -0.912 0 CA-C-O 121.612 0.72 . . . . 0.0 109.864 -178.682 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 7.1 m -58.26 -41.9 85.25 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 114.498 -1.228 . . . . 0.0 110.406 -175.467 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 26.0 mmtp -67.31 -48.86 66.36 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.097 -179.282 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 -72.14 -32.19 66.69 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 119.892 -0.723 . . . . 0.0 109.949 -177.603 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -108.4 108.17 19.03 Favored 'General case' 0 N--CA 1.486 1.374 0 N-CA-C 109.894 -0.41 . . . . 0.0 109.894 -179.419 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.484 ' N ' ' NE2' ' A' ' 45' ' ' GLN . 1.1 mp0 -63.22 -50.6 69.59 Favored 'General case' 0 C--O 1.238 0.497 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.611 -177.237 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 61.9 m-20 -105.04 -2.04 24.92 Favored 'General case' 0 N--CA 1.478 0.973 0 CA-C-N 118.301 0.5 . . . . 0.0 111.559 -179.558 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 51.37 22.67 7.71 Favored Glycine 0 N--CA 1.476 1.362 0 C-N-CA 121.067 -0.587 . . . . 0.0 112.645 -179.681 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -118.15 -14.35 9.9 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 122.788 0.435 . . . . 0.0 111.747 -178.325 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -122.77 167.97 12.83 Favored 'General case' 0 N--CA 1.477 0.904 0 CA-C-O 121.557 0.694 . . . . 0.0 110.56 -177.802 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -75.4 149.83 38.49 Favored 'General case' 0 CA--C 1.519 -0.212 0 C-N-CA 125.018 1.327 . . . . 0.0 109.496 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 95.7 mt -88.9 120.16 30.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.662 0.744 . . . . 0.0 110.936 -176.036 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.492 HG22 ' N ' ' A' ' 53' ' ' GLU . 63.8 m -79.12 168.62 19.37 Favored 'General case' 0 N--CA 1.438 -1.042 0 CA-C-N 114.241 -1.345 . . . . 0.0 107.986 -177.363 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.492 ' N ' HG22 ' A' ' 52' ' ' THR . 87.6 mt-10 -70.04 -52.05 27.15 Favored 'General case' 0 C--O 1.208 -1.125 0 CA-C-N 113.751 -1.568 . . . . 0.0 110.324 -178.776 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -54.13 -50.26 67.32 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 119.889 -0.725 . . . . 0.0 109.678 -173.647 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 44.0 tp10 -62.68 -51.52 66.89 Favored 'General case' 0 C--O 1.222 -0.352 0 CA-C-O 120.769 0.319 . . . . 0.0 110.292 178.644 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 36.7 t-80 -58.36 -51.75 68.48 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.503 -178.192 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -58.08 -34.56 70.28 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 121.064 -0.254 . . . . 0.0 111.239 -179.804 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 48.4 tt0 -66.89 -54.37 22.92 Favored 'General case' 0 CA--C 1.538 0.515 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 -179.557 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 36.0 mmt -62.4 -34.72 77.28 Favored 'General case' 0 C--N 1.351 0.645 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 179.638 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 72.4 ttt180 -58.48 -48.1 81.89 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 119.542 -0.863 . . . . 0.0 110.091 -178.245 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -60.07 -41.93 93.44 Favored 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 179.422 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -62.8 -39.37 94.06 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 115.422 -0.808 . . . . 0.0 109.382 178.346 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.75 -47.61 84.45 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.453 -177.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.431 ' HA ' ' HE ' ' A' ' 67' ' ' ARG . 75.3 tt0 -57.32 -43.8 83.61 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-O 121.11 0.481 . . . . 0.0 110.088 -179.84 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -62.52 -41.82 99.11 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.469 179.38 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 91.3 mt-10 -62.57 -48.48 79.3 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 110.129 -0.322 . . . . 0.0 110.129 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.431 ' HE ' ' HA ' ' A' ' 64' ' ' GLU . 86.0 mtm180 -53.61 -42.52 67.8 Favored 'General case' 0 N--CA 1.475 0.797 0 O-C-N 123.036 0.21 . . . . 0.0 110.785 -179.096 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 74.3 tt0 -61.04 -65.77 0.64 Allowed 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 120.893 -0.323 . . . . 0.0 110.408 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 74.7 m-20 -56.16 -43.04 77.94 Favored 'General case' 0 N--CA 1.477 0.881 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.185 -178.763 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 57.2 tp -58.61 -34.57 71.27 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.683 -179.696 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -71.99 -55.13 7.97 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 -178.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 77.1 mt -67.52 -6.21 18.71 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.568 -179.167 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -58.92 98.49 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 110.132 -0.322 . . . . 0.0 110.132 179.625 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 72.7 m80 -67.09 -25.27 66.14 Favored 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 37.0 t -62.2 -17.92 59.54 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.743 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 69.2 m -58.29 -36.98 74.12 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.132 179.403 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 10.9 mp -64.14 152.67 87.43 Favored Pre-proline 0 CA--C 1.551 0.985 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.705 -178.394 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_exo . . . . . 0 N--CA 1.508 2.371 0 C-N-CA 122.572 2.181 . . . . 0.0 113.019 177.896 . . . . . . . . 0 0 . 1 stop_ save_